*HEADER    ISOMERASE                               20-SEP-07   2VCD
*TITLE     SOLUTION STRUCTURE OF THE FKBP-DOMAIN OF LEGIONELLA
*TITLE    2 PNEUMOPHILA MIP IN COMPLEX WITH RAPAMYCIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: OUTER MEMBRANE PROTEIN MIP;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: FRAGMENT: FKBP DOMAIN, RESIDUES 97-233;
*COMPND   5 SYNONYM: MACROPHAGE INFECTIVITY POTENTIATOR,
*COMPND   6  PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, PPIASE, ROTAMASE;
*COMPND   7 EC: 5.2.1.8;
*COMPND   8 OTHER_DETAILS: SURFACE PROTEIN
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA;
*SOURCE   3 ORGAN: LUNG;
*SOURCE   4 TISSUE: EPITHELIAL BARRIER;
*SOURCE   5 CELL: ALVEOLAR MACROPHAGES;
*SOURCE   6 OTHER_DETAILS: ALVEOLAR MACROPHAGES CAN BE HOSTS OF
*SOURCE   7  LEGIONELLA PNEUMOPHILA
*KEYWDS    MIP, FKBP, PPIASE, MEMBRANE, ROTAMASE, SIROLIMUS,
*KEYWDS   2 VIRULENCE, ISOMERASE, RAPAMYCIN, FKBP-DOMAIN, OUTER
*KEYWDS   3 MEMBRANE, LEGIONNAIRES DISEASE, MACROLIDE ANTIBIOTIC,
*KEYWDS   4 LEGIONELLA PNEUMOPHILA
*EXPDTA    NMR, 16 STRUCTURES
*AUTHOR    A.CEYMANN,M.HORSTMANN,P.EHSES,K.SCHWEIMER,A.-K.PASCHKE,
*AUTHOR   2 G.FISCHER,P.ROESCH,C.FABER
*REVDAT   1   02-SEP-08 2VCD    0



assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD22) 2.666 0.853 0.853 ! spec=13C NOESY, no=0, id=1648
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD21) 2.666 0.853 0.853 ! spec=13C NOESY, no=0, id=1648
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD23) 2.666 0.853 0.853 ! spec=13C NOESY, no=0, id=1648
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HD1) 2.479 0.737 0.737 ! spec=13C NOESY, no=2, id=1650
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HG2) 2.423 0.705 0.705 ! spec=13C NOESY, no=15, id=1653
assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HB2) 1.989 0.475 0.475 ! spec=13C NOESY, no=16, id=1654
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD12) 2.598 0.810 0.810 ! spec=13C NOESY, no=23, id=1661
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD11) 2.598 0.810 0.810 ! spec=13C NOESY, no=23, id=1661
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD13) 2.598 0.810 0.810 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD22) 3.098 3.098 2.902 ! spec=13C NOESY, no=30, id=1668
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD21) 3.098 3.098 2.902 ! spec=13C NOESY, no=30, id=1668
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD23) 3.098 3.098 2.902 ! spec=13C NOESY, no=30, id=1668
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name   HN) 2.264 0.615 0.615 ! spec=13C NOESY, no=32, id=1670
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name   HN) 2.264 0.615 0.615 ! spec=13C NOESY, no=32, id=1670
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name   HN) 2.264 0.615 0.615 ! spec=13C NOESY, no=32, id=1670
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name HE21) 3.052 3.052 2.948 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name HE21) 3.052 3.052 2.948 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name HE21) 3.052 3.052 2.948 ! spec=13C NOESY, no=35, id=1673
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name   HA) 3.082 3.082 2.918 ! spec=13C NOESY, no=37, id=1675
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name   HA) 3.082 3.082 2.918 ! spec=13C NOESY, no=37, id=1675
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name   HA) 3.082 3.082 2.918 ! spec=13C NOESY, no=37, id=1675
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name  HA1) 2.419 0.702 0.702 ! spec=13C NOESY, no=40, id=1678
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD12) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD11) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD13) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD12) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD11) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD13) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD12) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD11) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD13) 1.756 1.756 4.244 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD12) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD11) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD13) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD12) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD11) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD13) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD12) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD11) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD13) 2.361 0.669 0.669 ! spec=13C NOESY, no=47, id=1685
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HD2) 2.690 0.869 0.869 ! spec=13C NOESY, no=81, id=1693
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  103 and name HG12) 2.311 0.641 0.641 ! spec=13C NOESY, no=87, id=1699
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  103 and name HG11) 2.311 0.641 0.641 ! spec=13C NOESY, no=87, id=1699
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  103 and name HG13) 2.311 0.641 0.641 ! spec=13C NOESY, no=87, id=1699
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HG2) 2.351 0.663 0.663 ! spec=13C NOESY, no=95, id=1706
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   44 and name  HG1) 2.888 1.001 1.001 ! spec=13C NOESY, no=96, id=1707
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   48 and name   HA) 2.596 0.809 0.809 ! spec=13C NOESY, no=97, id=1708
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   35 and name  HG2) 3.179 1.213 1.213 ! spec=13C NOESY, no=113, id=1724
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name   HA) 2.172 0.566 0.566 ! spec=13C NOESY, no=114, id=1725
! violated assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   91 and name   HA) 2.748 0.906 0.906 ! spec=13C NOESY, no=115, id=1726
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   91 and name   HA) 2.748 0.906 0.906 ! spec=13C NOESY, no=115, id=1726
! violated assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   91 and name   HA) 2.748 0.906 0.906 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   91 and name  HG1) 2.247 2.247 3.753 ! spec=13C NOESY, no=116, id=1727
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   91 and name  HG1) 2.247 2.247 3.753 ! spec=13C NOESY, no=116, id=1727
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   91 and name  HG1) 2.247 2.247 3.753 ! spec=13C NOESY, no=116, id=1727
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HD2) 2.427 0.707 0.707 ! spec=13C NOESY, no=117, id=1728
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HG1) 2.146 0.553 0.553 ! spec=13C NOESY, no=118, id=1729
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   47 and name   HA) 2.281 2.281 3.719 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   47 and name   HA) 2.281 2.281 3.719 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   47 and name   HA) 2.281 2.281 3.719 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name   HN) 2.676 2.676 3.324 ! spec=13C NOESY, no=122, id=1733
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name   HN) 2.676 2.676 3.324 ! spec=13C NOESY, no=122, id=1733
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name   HN) 2.676 2.676 3.324 ! spec=13C NOESY, no=122, id=1733
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG22) 2.062 0.510 0.510 ! spec=13C NOESY, no=124, id=1735
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG21) 2.062 0.510 0.510 ! spec=13C NOESY, no=124, id=1735
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG23) 2.062 0.510 0.510 ! spec=13C NOESY, no=124, id=1735
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG22) 2.571 2.571 3.429 ! spec=13C NOESY, no=126, id=1737
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG21) 2.571 2.571 3.429 ! spec=13C NOESY, no=126, id=1737
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG23) 2.571 2.571 3.429 ! spec=13C NOESY, no=126, id=1737
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG22) 2.423 2.423 3.577 ! spec=13C NOESY, no=127, id=1738
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG21) 2.423 2.423 3.577 ! spec=13C NOESY, no=127, id=1738
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG23) 2.423 2.423 3.577 ! spec=13C NOESY, no=127, id=1738
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG22) 2.877 2.877 3.123 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG21) 2.877 2.877 3.123 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG23) 2.877 2.877 3.123 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   78 and name   HA) 2.386 2.386 3.614 ! spec=13C NOESY, no=131, id=1742
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   78 and name   HA) 2.386 2.386 3.614 ! spec=13C NOESY, no=131, id=1742
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   78 and name   HA) 2.386 2.386 3.614 ! spec=13C NOESY, no=131, id=1742
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   50 and name   HA) 2.399 2.399 3.601 ! spec=13C NOESY, no=132, id=1743
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   50 and name   HA) 2.399 2.399 3.601 ! spec=13C NOESY, no=132, id=1743
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   50 and name   HA) 2.399 2.399 3.601 ! spec=13C NOESY, no=132, id=1743
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   79 and name   HA) 2.093 2.093 3.907 ! spec=13C NOESY, no=134, id=1745
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   79 and name   HA) 2.093 2.093 3.907 ! spec=13C NOESY, no=134, id=1745
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   79 and name   HA) 2.093 2.093 3.907 ! spec=13C NOESY, no=134, id=1745
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   49 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=135, id=1746
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   49 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=135, id=1746
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   49 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=135, id=1746
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   79 and name   HB) 2.016 0.488 0.488 ! spec=13C NOESY, no=136, id=1747
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   79 and name   HB) 2.016 0.488 0.488 ! spec=13C NOESY, no=136, id=1747
! violated assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   79 and name   HB) 2.016 0.488 0.488 ! spec=13C NOESY, no=136, id=1747
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG12) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG11) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG13) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG12) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG11) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG13) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG12) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG11) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG13) 2.144 2.144 3.856 ! spec=13C NOESY, no=139, id=1750
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 2.214 0.588 0.588 ! spec=13C NOESY, no=142, id=1753
! violated assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   78 and name HE22) 2.813 2.813 3.187 ! spec=13C NOESY, no=143, id=1754
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name  HB1) 2.755 2.755 3.245 ! spec=13C NOESY, no=144, id=1755
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid  121 and name  HB2) 2.597 0.809 0.809 ! spec=13C NOESY, no=146, id=1757
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB1) 2.329 0.651 0.651 ! spec=13C NOESY, no=147, id=1758
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB2) 2.285 0.626 0.626 ! spec=13C NOESY, no=148, id=1759
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HE2) 3.027 1.100 1.100 ! spec=13C NOESY, no=154, id=1765
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name   HN) 2.512 0.757 0.757 ! spec=13C NOESY, no=158, id=1769
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD22) 2.261 2.261 3.739 ! spec=13C NOESY, no=159, id=1770
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD21) 2.261 2.261 3.739 ! spec=13C NOESY, no=159, id=1770
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD23) 2.261 2.261 3.739 ! spec=13C NOESY, no=159, id=1770
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.280 0.624 0.624 ! spec=13C NOESY, no=163, id=1774
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   47 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=167, id=1777
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name   HA) 2.340 0.657 0.657 ! spec=13C NOESY, no=168, id=1778
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   47 and name   HA) 2.941 1.038 1.038 ! spec=13C NOESY, no=169, id=1779
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   91 and name HE22) 3.073 1.133 1.133 ! spec=13C NOESY, no=170, id=1780
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   91 and name HE21) 2.997 1.078 1.078 ! spec=13C NOESY, no=171, id=1781
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB2) 1.993 0.476 0.476 ! spec=13C NOESY, no=174, id=1784
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 1.993 0.476 0.476 ! spec=13C NOESY, no=174, id=1784
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name   HA) 2.422 2.422 3.578 ! spec=13C NOESY, no=175, id=1785
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG12) 2.127 0.543 0.543 ! spec=13C NOESY, no=176, id=1786
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG11) 2.127 0.543 0.543 ! spec=13C NOESY, no=176, id=1786
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG13) 2.127 0.543 0.543 ! spec=13C NOESY, no=176, id=1786
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   48 and name   HA) 2.926 2.926 3.074 ! spec=13C NOESY, no=178, id=1788
! violated assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG2) 2.160 0.560 0.560 ! spec=13C NOESY, no=180, id=1790
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   86 and name  HE3) 2.886 2.886 3.114 ! spec=13C NOESY, no=194, id=1804
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name   HN) 2.863 0.983 0.983 ! spec=13C NOESY, no=195, id=1805
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   45 and name  HD1) 3.206 1.234 1.234 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   45 and name  HD1) 3.206 1.234 1.234 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   45 and name  HD1) 3.206 1.234 1.234 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   53 and name   HA) 2.809 2.809 3.191 ! spec=13C NOESY, no=210, id=1820
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   53 and name   HA) 2.809 2.809 3.191 ! spec=13C NOESY, no=210, id=1820
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   53 and name   HA) 2.809 2.809 3.191 ! spec=13C NOESY, no=210, id=1820
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name   HA) 2.932 1.032 1.032 ! spec=13C NOESY, no=212, id=1822
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name   HA) 2.932 1.032 1.032 ! spec=13C NOESY, no=212, id=1822
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name   HA) 2.932 1.032 1.032 ! spec=13C NOESY, no=212, id=1822
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name   HA) 2.228 0.596 0.596 ! spec=13C NOESY, no=213, id=1823
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name   HA) 2.228 0.596 0.596 ! spec=13C NOESY, no=213, id=1823
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name   HA) 2.228 0.596 0.596 ! spec=13C NOESY, no=213, id=1823
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  117 and name  HB1) 2.940 1.037 1.037 ! spec=13C NOESY, no=216, id=1826
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  117 and name  HB1) 2.940 1.037 1.037 ! spec=13C NOESY, no=216, id=1826
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  117 and name  HB1) 2.940 1.037 1.037 ! spec=13C NOESY, no=216, id=1826
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   44 and name  HG2) 2.320 0.646 0.646 ! spec=13C NOESY, no=218, id=1828
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name HD12) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name HD11) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name HD13) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name HD12) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name HD11) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name HD13) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name HD12) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name HD11) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name HD13) 1.919 1.919 4.081 ! spec=13C NOESY, no=222, id=1832
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  118 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=223, id=1833
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  118 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=223, id=1833
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  118 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=223, id=1833
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HE2) 2.856 0.979 0.979 ! spec=13C NOESY, no=226, id=1836
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HE1) 2.856 0.979 0.979 ! spec=13C NOESY, no=226, id=1836
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name HG12) 2.469 0.731 0.731 ! spec=13C NOESY, no=227, id=1837
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   88 and name   HA) 2.450 0.720 0.720 ! spec=13C NOESY, no=232, id=1842
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   88 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=233, id=1843
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   91 and name HE22) 2.733 0.897 0.897 ! spec=13C NOESY, no=234, id=1844
assign (segid "    " and resid   91 and name HE21) (segid "    " and resid   88 and name   HA) 2.766 0.918 0.918 ! spec=13C NOESY, no=235, id=1845
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   91 and name   HN) 3.131 1.176 1.176 ! spec=13C NOESY, no=236, id=1846
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   91 and name  HB1) 2.331 2.331 3.669 ! spec=13C NOESY, no=237, id=1847
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   88 and name  HB2) 2.106 0.532 0.532 ! spec=13C NOESY, no=238, id=1848
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   87 and name HG21) 2.589 2.589 3.411 ! spec=13C NOESY, no=240, id=1850
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   87 and name HG22) 2.589 2.589 3.411 ! spec=13C NOESY, no=240, id=1850
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   87 and name HG23) 2.589 2.589 3.411 ! spec=13C NOESY, no=240, id=1850
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  134 and name  HG2) 2.685 2.685 3.315 ! spec=13C NOESY, no=242, id=1851
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HG2) 2.463 0.728 0.728 ! spec=13C NOESY, no=243, id=1852
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  109 and name   HA) 2.922 1.024 1.024 ! spec=13C NOESY, no=245, id=1854
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  109 and name  HB1) 2.605 0.814 0.814 ! spec=13C NOESY, no=246, id=1855
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB2) 2.893 2.893 3.107 ! spec=13C NOESY, no=247, id=1856
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB1) 2.893 2.893 3.107 ! spec=13C NOESY, no=247, id=1856
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB3) 2.893 2.893 3.107 ! spec=13C NOESY, no=247, id=1856
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  109 and name  HB2) 2.719 0.887 0.887 ! spec=13C NOESY, no=249, id=1858
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name   HA) 2.797 0.939 0.939 ! spec=13C NOESY, no=251, id=1860
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   48 and name   HA) 2.545 2.545 3.455 ! spec=13C NOESY, no=253, id=1862
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   80 and name  HB1) 2.186 0.573 0.573 ! spec=13C NOESY, no=254, id=1863
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   80 and name  HB2) 2.195 2.195 3.805 ! spec=13C NOESY, no=255, id=1864
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   87 and name HG21) 2.348 2.348 3.652 ! spec=13C NOESY, no=256, id=1865
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   87 and name HG22) 2.348 2.348 3.652 ! spec=13C NOESY, no=256, id=1865
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   87 and name HG23) 2.348 2.348 3.652 ! spec=13C NOESY, no=256, id=1865
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  109 and name  HD1) 2.408 2.408 3.592 ! spec=13C NOESY, no=263, id=1872
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name   HA) 2.778 0.926 0.926 ! spec=13C NOESY, no=269, id=1878
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   83 and name HD12) 2.856 2.856 3.144 ! spec=13C NOESY, no=270, id=1879
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   83 and name HD11) 2.856 2.856 3.144 ! spec=13C NOESY, no=270, id=1879
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   83 and name HD13) 2.856 2.856 3.144 ! spec=13C NOESY, no=270, id=1879
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG22) 2.618 0.823 0.823 ! spec=13C NOESY, no=272, id=1881
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG21) 2.618 0.823 0.823 ! spec=13C NOESY, no=272, id=1881
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG23) 2.618 0.823 0.823 ! spec=13C NOESY, no=272, id=1881
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG12) 2.461 2.461 3.539 ! spec=13C NOESY, no=273, id=1882
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG11) 2.461 2.461 3.539 ! spec=13C NOESY, no=273, id=1882
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HG13) 2.461 2.461 3.539 ! spec=13C NOESY, no=273, id=1882
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.555 0.784 0.784 ! spec=13C NOESY, no=276, id=1885
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    6 and name  HB2) 2.827 2.827 3.173 ! spec=13C NOESY, no=279, id=1888
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    6 and name  HB1) 2.827 2.827 3.173 ! spec=13C NOESY, no=279, id=1888
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG22) 2.326 0.649 0.649 ! spec=13C NOESY, no=281, id=1890
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG21) 2.326 0.649 0.649 ! spec=13C NOESY, no=281, id=1890
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG23) 2.326 0.649 0.649 ! spec=13C NOESY, no=281, id=1890
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name   HA) 2.285 0.627 0.627 ! spec=13C NOESY, no=287, id=1896
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  136 and name   HA) 2.128 2.128 3.872 ! spec=13C NOESY, no=295, id=1904
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  136 and name   HA) 1.875 1.875 4.125 ! spec=13C NOESY, no=296, id=1905
assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  136 and name  HB2) 1.731 1.731 4.269 ! spec=13C NOESY, no=297, id=1906
assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  136 and name  HB1) 1.731 1.731 4.269 ! spec=13C NOESY, no=297, id=1906
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name   HB) 2.887 1.000 1.000 ! spec=13C NOESY, no=300, id=1909
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid   78 and name  HB1) 3.050 1.117 1.117 ! spec=13C NOESY, no=301, id=1910
assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name   HA) 2.154 0.557 0.557 ! spec=13C NOESY, no=304, id=1913
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name   HA) 2.253 0.609 0.609 ! spec=13C NOESY, no=306, id=1915
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   72 and name  HA1) 2.872 0.990 0.990 ! spec=13C NOESY, no=309, id=1918
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG21) 2.116 2.116 3.884 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG22) 2.116 2.116 3.884 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG23) 2.116 2.116 3.884 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG21) 2.195 2.195 3.805 ! spec=13C NOESY, no=315, id=1924
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG22) 2.195 2.195 3.805 ! spec=13C NOESY, no=315, id=1924
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG23) 2.195 2.195 3.805 ! spec=13C NOESY, no=315, id=1924
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG21) 2.675 2.675 3.325 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG22) 2.675 2.675 3.325 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG23) 2.675 2.675 3.325 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   73 and name   HN) 2.817 2.817 3.183 ! spec=13C NOESY, no=317, id=1926
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   73 and name   HN) 2.817 2.817 3.183 ! spec=13C NOESY, no=317, id=1926
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   73 and name   HN) 2.817 2.817 3.183 ! spec=13C NOESY, no=317, id=1926
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   55 and name  HD1) 2.442 2.442 3.558 ! spec=13C NOESY, no=318, id=1927
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   55 and name  HD1) 2.442 2.442 3.558 ! spec=13C NOESY, no=318, id=1927
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   55 and name  HD1) 2.442 2.442 3.558 ! spec=13C NOESY, no=318, id=1927
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   55 and name  HE1) 2.473 2.473 3.527 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   55 and name  HE1) 2.473 2.473 3.527 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   55 and name  HE1) 2.473 2.473 3.527 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   55 and name   HA) 2.552 2.552 3.448 ! spec=13C NOESY, no=320, id=1929
! violated assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   55 and name   HA) 2.552 2.552 3.448 ! spec=13C NOESY, no=320, id=1929
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   55 and name   HA) 2.552 2.552 3.448 ! spec=13C NOESY, no=320, id=1929
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name   HA) 2.208 0.585 0.585 ! spec=13C NOESY, no=321, id=1930
! violated assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name   HA) 2.208 0.585 0.585 ! spec=13C NOESY, no=321, id=1930
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name   HA) 2.208 0.585 0.585 ! spec=13C NOESY, no=321, id=1930
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   75 and name  HB2) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   75 and name  HB1) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   75 and name  HB3) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   75 and name  HB2) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   75 and name  HB1) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   75 and name  HB3) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   75 and name  HB2) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   75 and name  HB1) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   75 and name  HB3) 2.229 2.229 3.771 ! spec=13C NOESY, no=329, id=1938
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG12) 2.792 2.792 3.208 ! spec=13C NOESY, no=330, id=1939
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG11) 2.792 2.792 3.208 ! spec=13C NOESY, no=330, id=1939
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG13) 2.792 2.792 3.208 ! spec=13C NOESY, no=330, id=1939
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   79 and name HG12) 2.860 2.860 3.140 ! spec=13C NOESY, no=333, id=1942
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   79 and name HG11) 2.860 2.860 3.140 ! spec=13C NOESY, no=333, id=1942
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   79 and name HG13) 2.860 2.860 3.140 ! spec=13C NOESY, no=333, id=1942
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG12) 2.620 2.620 3.380 ! spec=13C NOESY, no=334, id=1943
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG11) 2.620 2.620 3.380 ! spec=13C NOESY, no=334, id=1943
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG13) 2.620 2.620 3.380 ! spec=13C NOESY, no=334, id=1943
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name HE22) 2.536 2.536 3.464 ! spec=13C NOESY, no=336, id=1945
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name HE22) 2.536 2.536 3.464 ! spec=13C NOESY, no=336, id=1945
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name HE22) 2.536 2.536 3.464 ! spec=13C NOESY, no=336, id=1945
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name HE21) 2.548 2.548 3.452 ! spec=13C NOESY, no=337, id=1946
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name HE21) 2.548 2.548 3.452 ! spec=13C NOESY, no=337, id=1946
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name HE21) 2.548 2.548 3.452 ! spec=13C NOESY, no=337, id=1946
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG12) 2.629 0.829 0.829 ! spec=13C NOESY, no=338, id=1947
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG11) 2.629 0.829 0.829 ! spec=13C NOESY, no=338, id=1947
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG13) 2.629 0.829 0.829 ! spec=13C NOESY, no=338, id=1947
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name   HA) 2.509 2.509 3.491 ! spec=13C NOESY, no=341, id=1950
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name   HA) 2.509 2.509 3.491 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name   HA) 2.509 2.509 3.491 ! spec=13C NOESY, no=341, id=1950
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   79 and name   HA) 2.316 0.644 0.644 ! spec=13C NOESY, no=345, id=1954
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   79 and name   HA) 2.316 0.644 0.644 ! spec=13C NOESY, no=345, id=1954
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   79 and name   HA) 2.316 0.644 0.644 ! spec=13C NOESY, no=345, id=1954
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name  HG1) 2.556 2.556 3.444 ! spec=13C NOESY, no=346, id=1955
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name  HG1) 2.556 2.556 3.444 ! spec=13C NOESY, no=346, id=1955
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name  HG1) 2.556 2.556 3.444 ! spec=13C NOESY, no=346, id=1955
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   79 and name   HB) 2.075 0.517 0.517 ! spec=13C NOESY, no=347, id=1956
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   79 and name   HB) 2.075 0.517 0.517 ! spec=13C NOESY, no=347, id=1956
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   79 and name   HB) 2.075 0.517 0.517 ! spec=13C NOESY, no=347, id=1956
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name  HG2) 2.638 2.638 3.362 ! spec=13C NOESY, no=348, id=1957
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name  HG2) 2.638 2.638 3.362 ! spec=13C NOESY, no=348, id=1957
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name  HG2) 2.638 2.638 3.362 ! spec=13C NOESY, no=348, id=1957
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   18 and name   HA) 2.746 0.905 0.905 ! spec=13C NOESY, no=353, id=1962
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB1) 3.131 1.177 1.177 ! spec=13C NOESY, no=354, id=1963
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name  HB2) 2.933 1.033 1.033 ! spec=13C NOESY, no=356, id=1965
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HA) 2.614 2.614 3.386 ! spec=13C NOESY, no=360, id=1968
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HA) 3.160 3.160 2.840 ! spec=13C NOESY, no=362, id=1970
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   19 and name  HB1) 3.015 1.091 1.091 ! spec=13C NOESY, no=364, id=1972
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  105 and name   HN) 2.762 0.916 0.916 ! spec=13C NOESY, no=368, id=1976
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  105 and name   HN) 2.762 0.916 0.916 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  105 and name   HN) 2.762 0.916 0.916 ! spec=13C NOESY, no=368, id=1976
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   12 and name  HA1) 2.095 2.095 3.905 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   12 and name  HA1) 2.095 2.095 3.905 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   12 and name  HA1) 2.095 2.095 3.905 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   16 and name   HG) 2.676 2.676 3.324 ! spec=13C NOESY, no=371, id=1979
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   16 and name   HG) 2.676 2.676 3.324 ! spec=13C NOESY, no=371, id=1979
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   16 and name   HG) 2.676 2.676 3.324 ! spec=13C NOESY, no=371, id=1979
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   90 and name   HG) 2.050 0.504 0.504 ! spec=13C NOESY, no=372, id=1980
! violated assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   90 and name   HG) 2.050 0.504 0.504 ! spec=13C NOESY, no=372, id=1980
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   90 and name   HG) 2.050 0.504 0.504 ! spec=13C NOESY, no=372, id=1980
! violated assign (segid "    " and resid   90 and name HD22) (segid "    " and resid  128 and name HG22) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid  128 and name HG21) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   90 and name HD22) (segid "    " and resid  128 and name HG23) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   90 and name HD21) (segid "    " and resid  128 and name HG22) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   90 and name HD21) (segid "    " and resid  128 and name HG21) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   90 and name HD21) (segid "    " and resid  128 and name HG23) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   90 and name HD23) (segid "    " and resid  128 and name HG22) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid  128 and name HG21) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid  128 and name HG23) 2.630 0.830 0.830 ! spec=13C NOESY, no=374, id=1982
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   51 and name   HA) 2.159 0.559 0.559 ! spec=13C NOESY, no=379, id=1987
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   51 and name   HA) 2.159 0.559 0.559 ! spec=13C NOESY, no=379, id=1987
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   51 and name   HA) 2.159 0.559 0.559 ! spec=13C NOESY, no=379, id=1987
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   45 and name  HD1) 2.896 1.007 1.007 ! spec=13C NOESY, no=382, id=1990
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   45 and name  HD1) 2.896 1.007 1.007 ! spec=13C NOESY, no=382, id=1990
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   45 and name  HD1) 2.896 1.007 1.007 ! spec=13C NOESY, no=382, id=1990
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   52 and name   HB) 2.761 2.761 3.239 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   52 and name   HB) 2.761 2.761 3.239 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   52 and name   HB) 2.761 2.761 3.239 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   51 and name   HB) 1.888 1.888 4.112 ! spec=13C NOESY, no=386, id=1994
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   51 and name   HB) 1.888 1.888 4.112 ! spec=13C NOESY, no=386, id=1994
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   51 and name   HB) 1.888 1.888 4.112 ! spec=13C NOESY, no=386, id=1994
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   45 and name  HG2) 2.309 0.640 0.640 ! spec=13C NOESY, no=387, id=1995
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   45 and name  HG2) 2.309 0.640 0.640 ! spec=13C NOESY, no=387, id=1995
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   45 and name  HG2) 2.309 0.640 0.640 ! spec=13C NOESY, no=387, id=1995
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   90 and name HD22) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   90 and name HD21) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   90 and name HD23) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   90 and name HD22) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   90 and name HD21) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   90 and name HD23) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   90 and name HD22) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   90 and name HD21) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   90 and name HD23) 1.887 1.887 4.113 ! spec=13C NOESY, no=395, id=2003
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name   HN) 3.009 1.087 1.087 ! spec=13C NOESY, no=405, id=2013
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name   HN) 3.009 1.087 1.087 ! spec=13C NOESY, no=405, id=2013
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name   HN) 3.009 1.087 1.087 ! spec=13C NOESY, no=405, id=2013
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG22) 2.578 2.578 3.422 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG21) 2.578 2.578 3.422 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG23) 2.578 2.578 3.422 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   33 and name  HB2) 2.458 0.725 0.725 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   33 and name  HB2) 2.458 0.725 0.725 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   33 and name  HB2) 2.458 0.725 0.725 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG22) 2.324 0.648 0.648 ! spec=13C NOESY, no=411, id=2019
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG21) 2.324 0.648 0.648 ! spec=13C NOESY, no=411, id=2019
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG23) 2.324 0.648 0.648 ! spec=13C NOESY, no=411, id=2019
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   19 and name HD22) 2.603 2.603 3.397 ! spec=13C NOESY, no=413, id=2021
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   19 and name HD22) 2.603 2.603 3.397 ! spec=13C NOESY, no=413, id=2021
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   19 and name HD22) 2.603 2.603 3.397 ! spec=13C NOESY, no=413, id=2021
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG22) 1.924 1.924 4.076 ! spec=13C NOESY, no=415, id=2023
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG21) 1.924 1.924 4.076 ! spec=13C NOESY, no=415, id=2023
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG23) 1.924 1.924 4.076 ! spec=13C NOESY, no=415, id=2023
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid  102 and name  HE1) 2.549 2.549 3.451 ! spec=13C NOESY, no=416, id=2024
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid  102 and name  HE1) 2.549 2.549 3.451 ! spec=13C NOESY, no=416, id=2024
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid  102 and name  HE1) 2.549 2.549 3.451 ! spec=13C NOESY, no=416, id=2024
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   34 and name   HA) 3.111 1.161 1.161 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   34 and name   HA) 3.111 1.161 1.161 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   34 and name   HA) 3.111 1.161 1.161 ! spec=13C NOESY, no=417, id=2025
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name   HA) 2.800 2.800 3.200 ! spec=13C NOESY, no=418, id=2026
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name   HA) 2.800 2.800 3.200 ! spec=13C NOESY, no=418, id=2026
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name   HA) 2.800 2.800 3.200 ! spec=13C NOESY, no=418, id=2026
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   27 and name   HA) 2.661 2.661 3.339 ! spec=13C NOESY, no=419, id=2027
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   27 and name   HA) 2.661 2.661 3.339 ! spec=13C NOESY, no=419, id=2027
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   27 and name   HA) 2.661 2.661 3.339 ! spec=13C NOESY, no=419, id=2027
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HA) 2.094 2.094 3.906 ! spec=13C NOESY, no=420, id=2028
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HA) 2.094 2.094 3.906 ! spec=13C NOESY, no=420, id=2028
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HA) 2.094 2.094 3.906 ! spec=13C NOESY, no=420, id=2028
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   26 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=421, id=2029
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   26 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=421, id=2029
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   26 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=421, id=2029
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   20 and name   HA) 2.449 0.719 0.719 ! spec=13C NOESY, no=422, id=2030
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   20 and name   HA) 2.449 0.719 0.719 ! spec=13C NOESY, no=422, id=2030
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   20 and name   HA) 2.449 0.719 0.719 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG22) 2.428 2.428 3.572 ! spec=13C NOESY, no=423, id=2031
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG21) 2.428 2.428 3.572 ! spec=13C NOESY, no=423, id=2031
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG23) 2.428 2.428 3.572 ! spec=13C NOESY, no=423, id=2031
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HB) 1.856 1.856 4.144 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HB) 1.856 1.856 4.144 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HB) 1.856 1.856 4.144 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   16 and name   HA) 2.796 2.796 3.204 ! spec=13C NOESY, no=429, id=2037
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name  HD1) 2.599 0.811 0.811 ! spec=13C NOESY, no=430, id=2038
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name   HA) 2.586 0.803 0.803 ! spec=13C NOESY, no=431, id=2039
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   20 and name   HA) 2.874 2.874 3.126 ! spec=13C NOESY, no=433, id=2041
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name  HB1) 2.684 0.864 0.864 ! spec=13C NOESY, no=434, id=2042
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HG) 2.560 0.787 0.787 ! spec=13C NOESY, no=435, id=2043
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.401 0.692 0.692 ! spec=13C NOESY, no=436, id=2044
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD22) 2.523 2.523 3.477 ! spec=13C NOESY, no=437, id=2045
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD21) 2.523 2.523 3.477 ! spec=13C NOESY, no=437, id=2045
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD23) 2.523 2.523 3.477 ! spec=13C NOESY, no=437, id=2045
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD12) 2.159 0.559 0.559 ! spec=13C NOESY, no=438, id=2046
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD11) 2.159 0.559 0.559 ! spec=13C NOESY, no=438, id=2046
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name HD13) 2.159 0.559 0.559 ! spec=13C NOESY, no=438, id=2046
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD12) 2.096 2.096 3.904 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD11) 2.096 2.096 3.904 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD13) 2.096 2.096 3.904 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 3.038 1.107 1.107 ! spec=13C NOESY, no=446, id=2054
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name   HA) 2.561 0.787 0.787 ! spec=13C NOESY, no=459, id=2055
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   90 and name   HA) 2.971 1.059 1.059 ! spec=13C NOESY, no=460, id=2056
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name   HA) 2.943 1.040 1.040 ! spec=13C NOESY, no=461, id=2057
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD22) 2.512 0.757 0.757 ! spec=13C NOESY, no=462, id=2058
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD21) 2.512 0.757 0.757 ! spec=13C NOESY, no=462, id=2058
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD23) 2.512 0.757 0.757 ! spec=13C NOESY, no=462, id=2058
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   93 and name  HG2) 3.177 1.211 1.211 ! spec=13C NOESY, no=464, id=2060
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG22) 2.366 0.672 0.672 ! spec=13C NOESY, no=467, id=2063
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG21) 2.366 0.672 0.672 ! spec=13C NOESY, no=467, id=2063
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG23) 2.366 0.672 0.672 ! spec=13C NOESY, no=467, id=2063
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid  133 and name   HA) 1.889 1.889 4.111 ! spec=13C NOESY, no=469, id=2065
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid  133 and name   HA) 1.889 1.889 4.111 ! spec=13C NOESY, no=469, id=2065
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid  133 and name   HA) 1.889 1.889 4.111 ! spec=13C NOESY, no=469, id=2065
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   91 and name   HA) 2.679 2.679 3.321 ! spec=13C NOESY, no=475, id=2071
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name   HA) 2.375 0.677 0.677 ! spec=13C NOESY, no=477, id=2073
! violated assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HE2) 3.032 1.103 1.103 ! spec=13C NOESY, no=481, id=2077
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.155 0.557 0.557 ! spec=13C NOESY, no=484, id=2080
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   54 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=488, id=2084
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   54 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=488, id=2084
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   54 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=488, id=2084
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB2) 2.762 2.762 3.238 ! spec=13C NOESY, no=489, id=2085
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB1) 2.762 2.762 3.238 ! spec=13C NOESY, no=489, id=2085
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB3) 2.762 2.762 3.238 ! spec=13C NOESY, no=489, id=2085
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB2) 2.111 2.111 3.889 ! spec=13C NOESY, no=490, id=2086
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB1) 2.111 2.111 3.889 ! spec=13C NOESY, no=490, id=2086
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB3) 2.111 2.111 3.889 ! spec=13C NOESY, no=490, id=2086
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB2) 2.175 2.175 3.825 ! spec=13C NOESY, no=491, id=2087
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB1) 2.175 2.175 3.825 ! spec=13C NOESY, no=491, id=2087
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB3) 2.175 2.175 3.825 ! spec=13C NOESY, no=491, id=2087
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   76 and name   HA) 2.959 2.959 3.041 ! spec=13C NOESY, no=494, id=2090
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   76 and name   HA) 2.959 2.959 3.041 ! spec=13C NOESY, no=494, id=2090
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   76 and name   HA) 2.959 2.959 3.041 ! spec=13C NOESY, no=494, id=2090
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   75 and name   HA) 2.003 0.481 0.481 ! spec=13C NOESY, no=495, id=2091
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   75 and name   HA) 2.003 0.481 0.481 ! spec=13C NOESY, no=495, id=2091
! violated assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   75 and name   HA) 2.003 0.481 0.481 ! spec=13C NOESY, no=495, id=2091
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   74 and name   HA) 2.547 2.547 3.453 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   74 and name   HA) 2.547 2.547 3.453 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   74 and name   HA) 2.547 2.547 3.453 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name   HN) 2.824 0.957 0.957 ! spec=13C NOESY, no=514, id=2096
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    7 and name  HG1) 2.523 0.764 0.764 ! spec=13C NOESY, no=516, id=2098
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name   HA) 2.486 0.742 0.742 ! spec=13C NOESY, no=521, id=2103
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG21) 2.477 2.477 3.523 ! spec=13C NOESY, no=525, id=2107
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG22) 2.477 2.477 3.523 ! spec=13C NOESY, no=525, id=2107
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG23) 2.477 2.477 3.523 ! spec=13C NOESY, no=525, id=2107
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG21) 2.095 2.095 3.905 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG22) 2.095 2.095 3.905 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG23) 2.095 2.095 3.905 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   87 and name HG21) 3.138 3.138 2.862 ! spec=13C NOESY, no=530, id=2112
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   87 and name HG22) 3.138 3.138 2.862 ! spec=13C NOESY, no=530, id=2112
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   87 and name HG23) 3.138 3.138 2.862 ! spec=13C NOESY, no=530, id=2112
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG21) 2.380 2.380 3.620 ! spec=13C NOESY, no=532, id=2114
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG22) 2.380 2.380 3.620 ! spec=13C NOESY, no=532, id=2114
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG23) 2.380 2.380 3.620 ! spec=13C NOESY, no=532, id=2114
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   91 and name HE22) 2.088 2.088 3.912 ! spec=13C NOESY, no=534, id=2116
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   91 and name HE22) 2.088 2.088 3.912 ! spec=13C NOESY, no=534, id=2116
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   91 and name HE22) 2.088 2.088 3.912 ! spec=13C NOESY, no=534, id=2116
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   91 and name HE21) 2.071 0.515 0.515 ! spec=13C NOESY, no=535, id=2117
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   91 and name HE21) 2.071 0.515 0.515 ! spec=13C NOESY, no=535, id=2117
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   91 and name HE21) 2.071 0.515 0.515 ! spec=13C NOESY, no=535, id=2117
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   11 and name  HD1) 2.307 0.639 0.639 ! spec=13C NOESY, no=542, id=2124
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   11 and name  HD1) 2.307 0.639 0.639 ! spec=13C NOESY, no=542, id=2124
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   11 and name  HD1) 2.307 0.639 0.639 ! spec=13C NOESY, no=542, id=2124
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG22) 2.161 0.560 0.560 ! spec=13C NOESY, no=543, id=2125
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG21) 2.161 0.560 0.560 ! spec=13C NOESY, no=543, id=2125
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG23) 2.161 0.560 0.560 ! spec=13C NOESY, no=543, id=2125
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG22) 1.738 1.738 4.262 ! spec=13C NOESY, no=544, id=2126
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG21) 1.738 1.738 4.262 ! spec=13C NOESY, no=544, id=2126
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG23) 1.738 1.738 4.262 ! spec=13C NOESY, no=544, id=2126
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   87 and name   HB) 1.720 1.720 4.280 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   87 and name   HB) 1.720 1.720 4.280 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   87 and name   HB) 1.720 1.720 4.280 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HB) 1.677 1.677 4.323 ! spec=13C NOESY, no=548, id=2130
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HB) 1.677 1.677 4.323 ! spec=13C NOESY, no=548, id=2130
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HB) 1.677 1.677 4.323 ! spec=13C NOESY, no=548, id=2130
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD22) 2.635 2.635 3.365 ! spec=13C NOESY, no=552, id=2134
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD21) 2.635 2.635 3.365 ! spec=13C NOESY, no=552, id=2134
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD23) 2.635 2.635 3.365 ! spec=13C NOESY, no=552, id=2134
! violated assign (segid "    " and resid   59 and name HD22) (segid "    " and resid  117 and name  HB1) 2.120 0.539 0.539 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   59 and name HD21) (segid "    " and resid  117 and name  HB1) 2.120 0.539 0.539 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   59 and name HD23) (segid "    " and resid  117 and name  HB1) 2.120 0.539 0.539 ! spec=13C NOESY, no=556, id=2138
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name HD12) 2.175 2.175 3.825 ! spec=13C NOESY, no=559, id=2141
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name HD11) 2.175 2.175 3.825 ! spec=13C NOESY, no=559, id=2141
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name HD13) 2.175 2.175 3.825 ! spec=13C NOESY, no=559, id=2141
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   99 and name  HH2) 2.427 2.427 3.573 ! spec=13C NOESY, no=560, id=2142
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   99 and name  HH2) 2.427 2.427 3.573 ! spec=13C NOESY, no=560, id=2142
assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   99 and name  HH2) 2.427 2.427 3.573 ! spec=13C NOESY, no=560, id=2142
assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   99 and name  HZ3) 2.655 2.655 3.345 ! spec=13C NOESY, no=562, id=2144
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   99 and name  HZ3) 2.655 2.655 3.345 ! spec=13C NOESY, no=562, id=2144
assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   99 and name  HZ3) 2.655 2.655 3.345 ! spec=13C NOESY, no=562, id=2144
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=566, id=2148
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=566, id=2148
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=566, id=2148
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HB) 1.931 1.931 4.069 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HB) 1.931 1.931 4.069 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HB) 1.931 1.931 4.069 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG22) 2.187 2.187 3.813 ! spec=13C NOESY, no=568, id=2150
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG21) 2.187 2.187 3.813 ! spec=13C NOESY, no=568, id=2150
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG23) 2.187 2.187 3.813 ! spec=13C NOESY, no=568, id=2150
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG22) 2.739 0.900 0.900 ! spec=13C NOESY, no=569, id=2151
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG21) 2.739 0.900 0.900 ! spec=13C NOESY, no=569, id=2151
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG23) 2.739 0.900 0.900 ! spec=13C NOESY, no=569, id=2151
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  133 and name HG22) 2.741 2.741 3.259 ! spec=13C NOESY, no=573, id=2155
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  133 and name HG21) 2.741 2.741 3.259 ! spec=13C NOESY, no=573, id=2155
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  133 and name HG23) 2.741 2.741 3.259 ! spec=13C NOESY, no=573, id=2155
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG22) 2.294 0.632 0.632 ! spec=13C NOESY, no=574, id=2156
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG21) 2.294 0.632 0.632 ! spec=13C NOESY, no=574, id=2156
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG23) 2.294 0.632 0.632 ! spec=13C NOESY, no=574, id=2156
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HH2) 2.938 2.938 3.062 ! spec=13C NOESY, no=576, id=2158
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HH2) 2.938 2.938 3.062 ! spec=13C NOESY, no=576, id=2158
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HH2) 2.938 2.938 3.062 ! spec=13C NOESY, no=576, id=2158
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   82 and name HG12) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   82 and name HG11) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   82 and name HG13) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   82 and name HG12) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   82 and name HG11) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   82 and name HG13) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   82 and name HG12) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   82 and name HG11) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   82 and name HG13) 2.349 0.662 0.662 ! spec=13C NOESY, no=582, id=2164
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  132 and name   HA) 2.099 0.529 0.529 ! spec=13C NOESY, no=600, id=2165
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  132 and name   HA) 2.677 0.860 0.860 ! spec=13C NOESY, no=601, id=2166
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  132 and name  HB1) 2.115 0.537 0.537 ! spec=13C NOESY, no=603, id=2168
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name   HB) 2.858 2.858 3.142 ! spec=13C NOESY, no=604, id=2169
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  122 and name   HA) 2.384 0.682 0.682 ! spec=13C NOESY, no=611, id=2176
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   34 and name   HN) 2.833 2.833 3.167 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   34 and name   HN) 2.833 2.833 3.167 ! spec=13C NOESY, no=614, id=2179
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   34 and name   HN) 2.833 2.833 3.167 ! spec=13C NOESY, no=614, id=2179
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name HD12) 2.530 2.530 3.470 ! spec=13C NOESY, no=615, id=2180
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name HD11) 2.530 2.530 3.470 ! spec=13C NOESY, no=615, id=2180
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name HD13) 2.530 2.530 3.470 ! spec=13C NOESY, no=615, id=2180
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HE3) 2.053 0.506 0.506 ! spec=13C NOESY, no=627, id=2192
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HE3) 2.053 0.506 0.506 ! spec=13C NOESY, no=627, id=2192
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HE3) 2.053 0.506 0.506 ! spec=13C NOESY, no=627, id=2192
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HZ3) 3.026 1.098 1.098 ! spec=13C NOESY, no=628, id=2193
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HZ3) 3.026 1.098 1.098 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HZ3) 3.026 1.098 1.098 ! spec=13C NOESY, no=628, id=2193
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG12) 2.120 2.120 3.880 ! spec=13C NOESY, no=629, id=2194
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG11) 2.120 2.120 3.880 ! spec=13C NOESY, no=629, id=2194
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name HG13) 2.120 2.120 3.880 ! spec=13C NOESY, no=629, id=2194
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name   HN) 2.770 2.770 3.230 ! spec=13C NOESY, no=631, id=2196
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name   HN) 2.770 2.770 3.230 ! spec=13C NOESY, no=631, id=2196
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name   HN) 2.770 2.770 3.230 ! spec=13C NOESY, no=631, id=2196
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   25 and name HG12) 2.458 2.458 3.542 ! spec=13C NOESY, no=632, id=2197
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   25 and name HG11) 2.458 2.458 3.542 ! spec=13C NOESY, no=632, id=2197
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   25 and name HG13) 2.458 2.458 3.542 ! spec=13C NOESY, no=632, id=2197
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   25 and name HG12) 2.567 2.567 3.433 ! spec=13C NOESY, no=633, id=2198
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   25 and name HG11) 2.567 2.567 3.433 ! spec=13C NOESY, no=633, id=2198
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   25 and name HG13) 2.567 2.567 3.433 ! spec=13C NOESY, no=633, id=2198
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   22 and name   HA) 2.909 2.909 3.091 ! spec=13C NOESY, no=638, id=2203
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   22 and name   HA) 2.909 2.909 3.091 ! spec=13C NOESY, no=638, id=2203
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   22 and name   HA) 2.909 2.909 3.091 ! spec=13C NOESY, no=638, id=2203
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name   HA) 2.164 2.164 3.836 ! spec=13C NOESY, no=639, id=2204
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name   HA) 2.164 2.164 3.836 ! spec=13C NOESY, no=639, id=2204
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name   HA) 2.164 2.164 3.836 ! spec=13C NOESY, no=639, id=2204
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   25 and name HG12) 2.144 0.552 0.552 ! spec=13C NOESY, no=641, id=2206
! violated assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   25 and name HG11) 2.144 0.552 0.552 ! spec=13C NOESY, no=641, id=2206
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   25 and name HG13) 2.144 0.552 0.552 ! spec=13C NOESY, no=641, id=2206
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG12) 2.391 2.391 3.609 ! spec=13C NOESY, no=642, id=2207
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG11) 2.391 2.391 3.609 ! spec=13C NOESY, no=642, id=2207
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   25 and name HG13) 2.391 2.391 3.609 ! spec=13C NOESY, no=642, id=2207
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   33 and name  HG1) 2.652 2.652 3.348 ! spec=13C NOESY, no=643, id=2208
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   33 and name  HG1) 2.652 2.652 3.348 ! spec=13C NOESY, no=643, id=2208
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   33 and name  HG1) 2.652 2.652 3.348 ! spec=13C NOESY, no=643, id=2208
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   25 and name   HB) 1.947 0.455 0.455 ! spec=13C NOESY, no=646, id=2211
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   25 and name   HB) 1.947 0.455 0.455 ! spec=13C NOESY, no=646, id=2211
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   25 and name   HB) 1.947 0.455 0.455 ! spec=13C NOESY, no=646, id=2211
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name   HA) 2.473 0.734 0.734 ! spec=13C NOESY, no=649, id=2214
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB2) 1.877 1.877 4.123 ! spec=13C NOESY, no=653, id=2218
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB1) 1.877 1.877 4.123 ! spec=13C NOESY, no=653, id=2218
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name  HB1) 2.401 0.692 0.692 ! spec=13C NOESY, no=654, id=2219
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  122 and name   HA) 2.759 2.759 3.241 ! spec=13C NOESY, no=658, id=2223
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name  HE2) 2.973 1.061 1.061 ! spec=13C NOESY, no=659, id=2224
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   87 and name   HA) 1.872 1.872 4.128 ! spec=13C NOESY, no=667, id=2231
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   87 and name   HA) 1.872 1.872 4.128 ! spec=13C NOESY, no=667, id=2231
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   87 and name   HA) 1.872 1.872 4.128 ! spec=13C NOESY, no=667, id=2231
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   11 and name  HE2) 2.336 2.336 3.664 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   11 and name  HE2) 2.336 2.336 3.664 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   11 and name  HE2) 2.336 2.336 3.664 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name HG21) 2.186 2.186 3.814 ! spec=13C NOESY, no=670, id=2234
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name HG22) 2.186 2.186 3.814 ! spec=13C NOESY, no=670, id=2234
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name HG23) 2.186 2.186 3.814 ! spec=13C NOESY, no=670, id=2234
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   52 and name   HA) 2.156 0.558 0.558 ! spec=13C NOESY, no=673, id=2237
! violated assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   52 and name   HA) 2.156 0.558 0.558 ! spec=13C NOESY, no=673, id=2237
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   52 and name   HA) 2.156 0.558 0.558 ! spec=13C NOESY, no=673, id=2237
! violated assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   32 and name  HB2) 2.345 0.660 0.660 ! spec=13C NOESY, no=677, id=2241
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   32 and name  HB2) 2.345 0.660 0.660 ! spec=13C NOESY, no=677, id=2241
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   32 and name  HB2) 2.345 0.660 0.660 ! spec=13C NOESY, no=677, id=2241
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG21) 2.622 2.622 3.378 ! spec=13C NOESY, no=680, id=2244
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG22) 2.622 2.622 3.378 ! spec=13C NOESY, no=680, id=2244
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG23) 2.622 2.622 3.378 ! spec=13C NOESY, no=680, id=2244
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HA) 2.375 0.677 0.677 ! spec=13C NOESY, no=682, id=2246
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HA) 2.375 0.677 0.677 ! spec=13C NOESY, no=682, id=2246
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HA) 2.375 0.677 0.677 ! spec=13C NOESY, no=682, id=2246
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HG21) 2.044 0.501 0.501 ! spec=13C NOESY, no=683, id=2247
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HG22) 2.044 0.501 0.501 ! spec=13C NOESY, no=683, id=2247
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name HG23) 2.044 0.501 0.501 ! spec=13C NOESY, no=683, id=2247
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   78 and name   HA) 2.295 2.295 3.705 ! spec=13C NOESY, no=685, id=2249
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   78 and name   HA) 2.295 2.295 3.705 ! spec=13C NOESY, no=685, id=2249
assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   78 and name   HA) 2.295 2.295 3.705 ! spec=13C NOESY, no=685, id=2249
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name HG22) 1.989 0.475 0.475 ! spec=13C NOESY, no=687, id=2251
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name HG21) 1.989 0.475 0.475 ! spec=13C NOESY, no=687, id=2251
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name HG23) 1.989 0.475 0.475 ! spec=13C NOESY, no=687, id=2251
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG12) 2.497 2.497 3.503 ! spec=13C NOESY, no=690, id=2254
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG11) 2.497 2.497 3.503 ! spec=13C NOESY, no=690, id=2254
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG13) 2.497 2.497 3.503 ! spec=13C NOESY, no=690, id=2254
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HG12) 1.954 0.458 0.458 ! spec=13C NOESY, no=692, id=2256
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HG11) 1.954 0.458 0.458 ! spec=13C NOESY, no=692, id=2256
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HG13) 1.954 0.458 0.458 ! spec=13C NOESY, no=692, id=2256
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   33 and name  HB1) 2.090 0.524 0.524 ! spec=13C NOESY, no=698, id=2262
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   33 and name  HB1) 2.090 0.524 0.524 ! spec=13C NOESY, no=698, id=2262
! violated assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   33 and name  HB1) 2.090 0.524 0.524 ! spec=13C NOESY, no=698, id=2262
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  130 and name HD12) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  130 and name HD11) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  130 and name HD13) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  130 and name HD12) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  130 and name HD11) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  130 and name HD13) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  130 and name HD12) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  130 and name HD11) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  130 and name HD13) 2.444 0.717 0.717 ! spec=13C NOESY, no=700, id=2264
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HB1) 2.565 2.565 3.435 ! spec=13C NOESY, no=706, id=2270
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HB1) 2.565 2.565 3.435 ! spec=13C NOESY, no=706, id=2270
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HB1) 2.565 2.565 3.435 ! spec=13C NOESY, no=706, id=2270
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name   HB) 2.068 0.513 0.513 ! spec=13C NOESY, no=707, id=2271
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name   HB) 2.068 0.513 0.513 ! spec=13C NOESY, no=707, id=2271
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   64 and name   HB) 2.068 0.513 0.513 ! spec=13C NOESY, no=707, id=2271
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB1) 2.578 0.797 0.797 ! spec=13C NOESY, no=710, id=2274
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HN) 2.406 0.695 0.695 ! spec=13C NOESY, no=711, id=2275
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name   HN) 2.845 0.971 0.971 ! spec=13C NOESY, no=712, id=2276
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HD2) 2.908 1.015 1.015 ! spec=13C NOESY, no=714, id=2278
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB2) 2.936 1.034 1.034 ! spec=13C NOESY, no=717, id=2281
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HA) 2.422 0.704 0.704 ! spec=13C NOESY, no=718, id=2282
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HA) 2.422 0.704 0.704 ! spec=13C NOESY, no=718, id=2282
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HA) 2.422 0.704 0.704 ! spec=13C NOESY, no=718, id=2282
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD12) 2.474 2.474 3.526 ! spec=13C NOESY, no=719, id=2283
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD11) 2.474 2.474 3.526 ! spec=13C NOESY, no=719, id=2283
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD13) 2.474 2.474 3.526 ! spec=13C NOESY, no=719, id=2283
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD12) 2.500 2.500 3.500 ! spec=13C NOESY, no=720, id=2284
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD11) 2.500 2.500 3.500 ! spec=13C NOESY, no=720, id=2284
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD13) 2.500 2.500 3.500 ! spec=13C NOESY, no=720, id=2284
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD22) 2.372 0.675 0.675 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD21) 2.372 0.675 0.675 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD23) 2.372 0.675 0.675 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   33 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=729, id=2293
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   33 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=729, id=2293
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   33 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=729, id=2293
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name  HG2) 2.364 0.671 0.671 ! spec=13C NOESY, no=738, id=2302
! violated assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name  HG2) 2.364 0.671 0.671 ! spec=13C NOESY, no=738, id=2302
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name  HG2) 2.364 0.671 0.671 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   49 and name   HA) 2.290 0.629 0.629 ! spec=13C NOESY, no=748, id=2303
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  134 and name   HA) 3.028 3.028 2.972 ! spec=13C NOESY, no=749, id=2304
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   49 and name  HB2) 2.745 0.904 0.904 ! spec=13C NOESY, no=750, id=2305
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name   HA) 2.191 0.576 0.576 ! spec=13C NOESY, no=751, id=2306
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name   HA) 2.191 0.576 0.576 ! spec=13C NOESY, no=751, id=2306
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HD2) 2.791 0.935 0.935 ! spec=13C NOESY, no=755, id=2310
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name   HA) 2.460 0.726 0.726 ! spec=13C NOESY, no=757, id=2312
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   81 and name   HA) 2.625 0.827 0.827 ! spec=13C NOESY, no=758, id=2313
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HE2) 3.147 1.188 1.188 ! spec=13C NOESY, no=762, id=2317
assign (segid "    " and resid   81 and name HE21) (segid "    " and resid   81 and name   HA) 3.137 1.181 1.181 ! spec=13C NOESY, no=765, id=2320
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG12) 2.092 2.092 3.908 ! spec=13C NOESY, no=767, id=2322
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG11) 2.092 2.092 3.908 ! spec=13C NOESY, no=767, id=2322
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG13) 2.092 2.092 3.908 ! spec=13C NOESY, no=767, id=2322
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   43 and name   HA) 1.884 1.884 4.116 ! spec=13C NOESY, no=771, id=2326
assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   43 and name   HA) 1.884 1.884 4.116 ! spec=13C NOESY, no=771, id=2326
assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   43 and name   HA) 1.884 1.884 4.116 ! spec=13C NOESY, no=771, id=2326
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG22) 1.838 0.405 0.405 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG21) 1.838 0.405 0.405 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG23) 1.838 0.405 0.405 ! spec=13C NOESY, no=773, id=2328
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   58 and name   HA) 2.818 2.818 3.182 ! spec=13C NOESY, no=776, id=2331
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   58 and name   HA) 2.818 2.818 3.182 ! spec=13C NOESY, no=776, id=2331
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   58 and name   HA) 2.818 2.818 3.182 ! spec=13C NOESY, no=776, id=2331
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   56 and name HG21) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   56 and name HG22) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   56 and name HG23) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   56 and name HG21) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   56 and name HG22) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   56 and name HG23) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   56 and name HG21) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   56 and name HG22) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   56 and name HG23) 1.939 1.939 4.061 ! spec=13C NOESY, no=778, id=2333
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid  133 and name HG12) 2.411 2.411 3.589 ! spec=13C NOESY, no=780, id=2335
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid  133 and name HG11) 2.411 2.411 3.589 ! spec=13C NOESY, no=780, id=2335
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid  133 and name HG13) 2.411 2.411 3.589 ! spec=13C NOESY, no=780, id=2335
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  133 and name HG12) 2.228 0.596 0.596 ! spec=13C NOESY, no=781, id=2336
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  133 and name HG11) 2.228 0.596 0.596 ! spec=13C NOESY, no=781, id=2336
! violated assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  133 and name HG13) 2.228 0.596 0.596 ! spec=13C NOESY, no=781, id=2336
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG12) 2.495 2.495 3.505 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG11) 2.495 2.495 3.505 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG13) 2.495 2.495 3.505 ! spec=13C NOESY, no=783, id=2338
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG12) 2.933 1.033 1.033 ! spec=13C NOESY, no=784, id=2339
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG11) 2.933 1.033 1.033 ! spec=13C NOESY, no=784, id=2339
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG13) 2.933 1.033 1.033 ! spec=13C NOESY, no=784, id=2339
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   44 and name   HA) 2.749 0.907 0.907 ! spec=13C NOESY, no=786, id=2341
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   44 and name   HA) 2.749 0.907 0.907 ! spec=13C NOESY, no=786, id=2341
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   44 and name   HA) 2.749 0.907 0.907 ! spec=13C NOESY, no=786, id=2341
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HA) 1.962 1.962 4.038 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HA) 1.962 1.962 4.038 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HA) 1.962 1.962 4.038 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name  HD2) 2.676 2.676 3.324 ! spec=13C NOESY, no=789, id=2344
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name  HD2) 2.676 2.676 3.324 ! spec=13C NOESY, no=789, id=2344
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name  HD2) 2.676 2.676 3.324 ! spec=13C NOESY, no=789, id=2344
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   49 and name  HB2) 2.265 2.265 3.735 ! spec=13C NOESY, no=790, id=2345
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   49 and name  HB2) 2.265 2.265 3.735 ! spec=13C NOESY, no=790, id=2345
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   49 and name  HB2) 2.265 2.265 3.735 ! spec=13C NOESY, no=790, id=2345
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HB) 1.955 0.459 0.459 ! spec=13C NOESY, no=792, id=2347
! violated assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HB) 1.955 0.459 0.459 ! spec=13C NOESY, no=792, id=2347
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HB) 1.955 0.459 0.459 ! spec=13C NOESY, no=792, id=2347
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   26 and name HG22) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   26 and name HG21) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   26 and name HG23) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   26 and name HG22) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   26 and name HG21) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   26 and name HG23) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   26 and name HG22) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   26 and name HG21) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   26 and name HG23) 2.263 2.263 3.737 ! spec=13C NOESY, no=797, id=2349
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  135 and name   HA) 2.961 1.052 1.052 ! spec=13C NOESY, no=802, id=2354
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 2.306 0.638 0.638 ! spec=13C NOESY, no=808, id=2360
! violated assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD22) 2.912 1.017 1.017 ! spec=13C NOESY, no=809, id=2361
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HA) 2.543 0.776 0.776 ! spec=13C NOESY, no=810, id=2362
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name   HA) 3.046 3.046 2.954 ! spec=13C NOESY, no=813, id=2365
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD21) 3.050 1.116 1.116 ! spec=13C NOESY, no=814, id=2366
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HE1) 2.608 0.816 0.816 ! spec=13C NOESY, no=815, id=2367
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.436 0.712 0.712 ! spec=13C NOESY, no=816, id=2368
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   19 and name   HA) 3.074 3.074 2.926 ! spec=13C NOESY, no=819, id=2371
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   19 and name   HA) 3.074 3.074 2.926 ! spec=13C NOESY, no=819, id=2371
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   19 and name   HA) 3.074 3.074 2.926 ! spec=13C NOESY, no=819, id=2371
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HB) 1.953 1.953 4.047 ! spec=13C NOESY, no=826, id=2378
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HB) 1.953 1.953 4.047 ! spec=13C NOESY, no=826, id=2378
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HB) 1.953 1.953 4.047 ! spec=13C NOESY, no=826, id=2378
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   44 and name   HA) 2.415 2.415 3.585 ! spec=13C NOESY, no=832, id=2384
assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   44 and name   HA) 2.415 2.415 3.585 ! spec=13C NOESY, no=832, id=2384
assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   44 and name   HA) 2.415 2.415 3.585 ! spec=13C NOESY, no=832, id=2384
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   28 and name   HA) 2.280 2.280 3.720 ! spec=13C NOESY, no=833, id=2385
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   28 and name   HA) 2.280 2.280 3.720 ! spec=13C NOESY, no=833, id=2385
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   28 and name   HA) 2.280 2.280 3.720 ! spec=13C NOESY, no=833, id=2385
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG12) 2.695 2.695 3.305 ! spec=13C NOESY, no=834, id=2386
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG11) 2.695 2.695 3.305 ! spec=13C NOESY, no=834, id=2386
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG13) 2.695 2.695 3.305 ! spec=13C NOESY, no=834, id=2386
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  109 and name  HE1) 3.247 1.265 1.265 ! spec=13C NOESY, no=835, id=2387
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  109 and name  HE1) 3.247 1.265 1.265 ! spec=13C NOESY, no=835, id=2387
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  109 and name  HE1) 3.247 1.265 1.265 ! spec=13C NOESY, no=835, id=2387
! violated assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   36 and name HG22) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   36 and name HG21) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   36 and name HG23) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   36 and name HG22) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   36 and name HG21) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   36 and name HG23) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   36 and name HG22) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   36 and name HG21) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   36 and name HG23) 2.426 0.706 0.706 ! spec=13C NOESY, no=836, id=2388
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  118 and name HD12) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  118 and name HD11) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  118 and name HD13) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  118 and name HD12) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  118 and name HD11) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  118 and name HD13) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  118 and name HD12) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  118 and name HD11) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  118 and name HD13) 2.605 2.605 3.395 ! spec=13C NOESY, no=837, id=2389
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  109 and name  HD1) 2.642 0.837 0.837 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  109 and name  HD1) 2.642 0.837 0.837 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  109 and name  HD1) 2.642 0.837 0.837 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG12) 1.993 0.477 0.477 ! spec=13C NOESY, no=848, id=2400
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG11) 1.993 0.477 0.477 ! spec=13C NOESY, no=848, id=2400
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG13) 1.993 0.477 0.477 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HA) 1.919 1.919 4.081 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA) 1.919 1.919 4.081 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HA) 1.919 1.919 4.081 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   89 and name   HA) 2.417 0.701 0.701 ! spec=13C NOESY, no=855, id=2407
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   99 and name  HZ3) 2.861 0.982 0.982 ! spec=13C NOESY, no=856, id=2408
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   90 and name   HN) 2.922 1.025 1.025 ! spec=13C NOESY, no=861, id=2413
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   93 and name   HA) 3.118 3.118 2.882 ! spec=13C NOESY, no=863, id=2415
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  129 and name  HD2) 2.995 1.076 1.076 ! spec=13C NOESY, no=866, id=2418
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  129 and name  HD2) 2.995 1.076 1.076 ! spec=13C NOESY, no=866, id=2418
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  129 and name  HD2) 2.995 1.076 1.076 ! spec=13C NOESY, no=866, id=2418
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   98 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=867, id=2419
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   98 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=867, id=2419
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   98 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=867, id=2419
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   99 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=868, id=2420
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   99 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=868, id=2420
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   99 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=868, id=2420
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  112 and name   HN) 2.577 2.577 3.423 ! spec=13C NOESY, no=874, id=2426
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  112 and name   HN) 2.577 2.577 3.423 ! spec=13C NOESY, no=874, id=2426
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  112 and name   HN) 2.577 2.577 3.423 ! spec=13C NOESY, no=874, id=2426
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name HD22) 2.940 1.037 1.037 ! spec=13C NOESY, no=880, id=2432
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.544 0.777 0.777 ! spec=13C NOESY, no=881, id=2433
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB1) 2.312 0.641 0.641 ! spec=13C NOESY, no=883, id=2435
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB2) 2.308 0.639 0.639 ! spec=13C NOESY, no=884, id=2436
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HB1) 2.915 1.019 1.019 ! spec=13C NOESY, no=885, id=2437
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB1) 2.377 0.678 0.678 ! spec=13C NOESY, no=886, id=2438
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name HD21) 3.141 1.184 1.184 ! spec=13C NOESY, no=890, id=2442
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 2.123 0.541 0.541 ! spec=13C NOESY, no=892, id=2444
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name   HA) 2.827 2.827 3.173 ! spec=13C NOESY, no=893, id=2445
assign (segid "    " and resid   17 and name HG21) (segid "    " and resid   14 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=898, id=2450
assign (segid "    " and resid   17 and name HG22) (segid "    " and resid   14 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=898, id=2450
assign (segid "    " and resid   17 and name HG23) (segid "    " and resid   14 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=898, id=2450
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.677 0.860 0.860 ! spec=13C NOESY, no=899, id=2451
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    5 and name   HA) 2.812 0.949 0.949 ! spec=13C NOESY, no=901, id=2453
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    5 and name   HA) 2.584 0.801 0.801 ! spec=13C NOESY, no=902, id=2454
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    5 and name   HA) 3.127 1.174 1.174 ! spec=13C NOESY, no=903, id=2455
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name   HA) 2.915 2.915 3.085 ! spec=13C NOESY, no=907, id=2459
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HD2) 3.214 1.240 1.240 ! spec=13C NOESY, no=908, id=2460
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    8 and name  HB1) 2.736 0.898 0.898 ! spec=13C NOESY, no=909, id=2461
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  121 and name  HB2) 2.721 0.888 0.888 ! spec=13C NOESY, no=910, id=2462
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HG1) 2.549 0.780 0.780 ! spec=13C NOESY, no=911, id=2463
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 2.539 0.774 0.774 ! spec=13C NOESY, no=914, id=2466
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HB1) 2.661 0.850 0.850 ! spec=13C NOESY, no=915, id=2467
! violated assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   67 and name   HA) 2.895 1.006 1.006 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   67 and name   HA) 2.895 1.006 1.006 ! spec=13C NOESY, no=929, id=2480
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   67 and name   HA) 2.895 1.006 1.006 ! spec=13C NOESY, no=929, id=2480
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   56 and name   HA) 2.519 0.762 0.762 ! spec=13C NOESY, no=930, id=2481
! violated assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   56 and name   HA) 2.519 0.762 0.762 ! spec=13C NOESY, no=930, id=2481
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   56 and name   HA) 2.519 0.762 0.762 ! spec=13C NOESY, no=930, id=2481
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HB1) 2.662 2.662 3.338 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HB1) 2.662 2.662 3.338 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HB1) 2.662 2.662 3.338 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name  HB1) 2.157 2.157 3.843 ! spec=13C NOESY, no=933, id=2484
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name  HB1) 2.157 2.157 3.843 ! spec=13C NOESY, no=933, id=2484
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name  HB1) 2.157 2.157 3.843 ! spec=13C NOESY, no=933, id=2484
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG21) 2.155 2.155 3.845 ! spec=13C NOESY, no=937, id=2488
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG22) 2.155 2.155 3.845 ! spec=13C NOESY, no=937, id=2488
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG23) 2.155 2.155 3.845 ! spec=13C NOESY, no=937, id=2488
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name  HB2) 2.593 0.807 0.807 ! spec=13C NOESY, no=948, id=2499
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name  HB2) 2.593 0.807 0.807 ! spec=13C NOESY, no=948, id=2499
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name  HB2) 2.593 0.807 0.807 ! spec=13C NOESY, no=948, id=2499
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HB) 2.161 0.560 0.560 ! spec=13C NOESY, no=949, id=2500
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HB) 2.161 0.560 0.560 ! spec=13C NOESY, no=949, id=2500
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HB) 2.161 0.560 0.560 ! spec=13C NOESY, no=949, id=2500
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  119 and name   HN) 2.752 2.752 3.248 ! spec=13C NOESY, no=951, id=2502
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  119 and name   HN) 2.752 2.752 3.248 ! spec=13C NOESY, no=951, id=2502
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  119 and name   HN) 2.752 2.752 3.248 ! spec=13C NOESY, no=951, id=2502
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG22) 3.054 1.120 1.120 ! spec=13C NOESY, no=952, id=2503
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG21) 3.054 1.120 1.120 ! spec=13C NOESY, no=952, id=2503
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG23) 3.054 1.120 1.120 ! spec=13C NOESY, no=952, id=2503
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG22) 2.873 2.873 3.127 ! spec=13C NOESY, no=953, id=2504
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG21) 2.873 2.873 3.127 ! spec=13C NOESY, no=953, id=2504
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG23) 2.873 2.873 3.127 ! spec=13C NOESY, no=953, id=2504
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  113 and name   HA) 2.439 2.439 3.561 ! spec=13C NOESY, no=954, id=2505
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  113 and name   HA) 2.439 2.439 3.561 ! spec=13C NOESY, no=954, id=2505
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  113 and name   HA) 2.439 2.439 3.561 ! spec=13C NOESY, no=954, id=2505
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  120 and name   HA) 2.698 2.698 3.302 ! spec=13C NOESY, no=955, id=2506
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  120 and name   HA) 2.698 2.698 3.302 ! spec=13C NOESY, no=955, id=2506
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  120 and name   HA) 2.698 2.698 3.302 ! spec=13C NOESY, no=955, id=2506
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HA) 2.280 0.624 0.624 ! spec=13C NOESY, no=956, id=2507
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HA) 2.280 0.624 0.624 ! spec=13C NOESY, no=956, id=2507
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HA) 2.280 0.624 0.624 ! spec=13C NOESY, no=956, id=2507
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  109 and name  HB1) 2.645 0.840 0.840 ! spec=13C NOESY, no=957, id=2508
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  109 and name  HB1) 2.645 0.840 0.840 ! spec=13C NOESY, no=957, id=2508
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  109 and name  HB1) 2.645 0.840 0.840 ! spec=13C NOESY, no=957, id=2508
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HB) 2.133 0.546 0.546 ! spec=13C NOESY, no=958, id=2509
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HB) 2.133 0.546 0.546 ! spec=13C NOESY, no=958, id=2509
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HB) 2.133 0.546 0.546 ! spec=13C NOESY, no=958, id=2509
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name  HB1) 2.970 1.059 1.059 ! spec=13C NOESY, no=964, id=2515
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG21) 2.267 2.267 3.733 ! spec=13C NOESY, no=966, id=2517
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG22) 2.267 2.267 3.733 ! spec=13C NOESY, no=966, id=2517
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG23) 2.267 2.267 3.733 ! spec=13C NOESY, no=966, id=2517
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   99 and name  HD1) 2.224 2.224 3.776 ! spec=13C NOESY, no=968, id=2519
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   99 and name  HD1) 2.224 2.224 3.776 ! spec=13C NOESY, no=968, id=2519
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   99 and name  HD1) 2.224 2.224 3.776 ! spec=13C NOESY, no=968, id=2519
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name   HA) 2.224 2.224 3.776 ! spec=13C NOESY, no=970, id=2521
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name   HA) 2.224 2.224 3.776 ! spec=13C NOESY, no=970, id=2521
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name   HA) 2.224 2.224 3.776 ! spec=13C NOESY, no=970, id=2521
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   39 and name   HA) 2.604 0.813 0.813 ! spec=13C NOESY, no=972, id=2523
assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   39 and name   HA) 2.604 0.813 0.813 ! spec=13C NOESY, no=972, id=2523
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   39 and name   HA) 2.604 0.813 0.813 ! spec=13C NOESY, no=972, id=2523
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  109 and name   HN) 1.996 1.996 4.004 ! spec=13C NOESY, no=976, id=2527
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  109 and name   HN) 1.996 1.996 4.004 ! spec=13C NOESY, no=976, id=2527
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  109 and name   HN) 1.996 1.996 4.004 ! spec=13C NOESY, no=976, id=2527
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  114 and name HG22) 2.979 2.979 3.021 ! spec=13C NOESY, no=977, id=2528
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  114 and name HG21) 2.979 2.979 3.021 ! spec=13C NOESY, no=977, id=2528
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  114 and name HG23) 2.979 2.979 3.021 ! spec=13C NOESY, no=977, id=2528
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HN) 2.235 0.600 0.600 ! spec=13C NOESY, no=979, id=2530
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HN) 2.235 0.600 0.600 ! spec=13C NOESY, no=979, id=2530
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HN) 2.235 0.600 0.600 ! spec=13C NOESY, no=979, id=2530
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  123 and name   HA) 2.402 2.402 3.598 ! spec=13C NOESY, no=982, id=2533
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  123 and name   HA) 2.402 2.402 3.598 ! spec=13C NOESY, no=982, id=2533
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  123 and name   HA) 2.402 2.402 3.598 ! spec=13C NOESY, no=982, id=2533
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  109 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=984, id=2535
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  109 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=984, id=2535
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  109 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=984, id=2535
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  134 and name   HN) 2.411 0.697 0.697 ! spec=13C NOESY, no=987, id=2537
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name   HA) 1.928 1.928 4.072 ! spec=13C NOESY, no=988, id=2538
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  134 and name  HD2) 2.126 0.542 0.542 ! spec=13C NOESY, no=992, id=2542
! violated assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid  134 and name   HA) 2.190 0.576 0.576 ! spec=13C NOESY, no=993, id=2543
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 2.417 0.701 0.701 ! spec=13C NOESY, no=997, id=2547
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name   HN) 3.116 3.116 2.884 ! spec=13C NOESY, no=998, id=2548
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD2) 2.227 0.595 0.595 ! spec=13C NOESY, no=1000, id=2550
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   53 and name   HB) 3.126 1.173 1.173 ! spec=13C NOESY, no=1001, id=2551
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name   HA) 2.662 0.850 0.850 ! spec=13C NOESY, no=1006, id=2556
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name   HA) 2.458 0.725 0.725 ! spec=13C NOESY, no=1007, id=2557
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   97 and name   HN) 2.910 1.016 1.016 ! spec=13C NOESY, no=1008, id=2558
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   96 and name  HA2) 3.077 1.136 1.136 ! spec=13C NOESY, no=1009, id=2559
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name  HB2) 2.609 0.817 0.817 ! spec=13C NOESY, no=1012, id=2562
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG12) 1.812 1.812 4.188 ! spec=13C NOESY, no=1018, id=2568
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG11) 1.812 1.812 4.188 ! spec=13C NOESY, no=1018, id=2568
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG13) 1.812 1.812 4.188 ! spec=13C NOESY, no=1018, id=2568
! violated assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   86 and name  HB2) 2.759 0.913 0.913 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   86 and name  HB2) 2.759 0.913 0.913 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   86 and name  HB2) 2.759 0.913 0.913 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   43 and name   HB) 1.816 1.816 4.184 ! spec=13C NOESY, no=1024, id=2574
assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   43 and name   HB) 1.816 1.816 4.184 ! spec=13C NOESY, no=1024, id=2574
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   43 and name   HB) 1.816 1.816 4.184 ! spec=13C NOESY, no=1024, id=2574
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name   HA) 2.478 0.737 0.737 ! spec=13C NOESY, no=1025, id=2575
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name  HB2) 2.328 0.650 0.650 ! spec=13C NOESY, no=1027, id=2577
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name   HA) 3.241 1.260 1.260 ! spec=13C NOESY, no=1029, id=2579
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name   HA) 2.499 0.750 0.750 ! spec=13C NOESY, no=1050, id=2584
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name   HA) 2.724 0.891 0.891 ! spec=13C NOESY, no=1051, id=2585
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   99 and name  HH2) 2.856 2.856 3.144 ! spec=13C NOESY, no=1052, id=2586
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   92 and name   HA) 3.243 3.243 2.757 ! spec=13C NOESY, no=1053, id=2587
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   44 and name  HE2) 2.986 1.070 1.070 ! spec=13C NOESY, no=1055, id=2589
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   44 and name  HE1) 2.986 1.070 1.070 ! spec=13C NOESY, no=1055, id=2589
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   92 and name  HB1) 2.556 0.784 0.784 ! spec=13C NOESY, no=1056, id=2590
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   92 and name  HB2) 2.332 0.652 0.652 ! spec=13C NOESY, no=1057, id=2591
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   92 and name   HA) 3.107 1.158 1.158 ! spec=13C NOESY, no=1058, id=2592
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name   HA) 1.970 0.466 0.466 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name   HA) 1.970 0.466 0.466 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name   HA) 1.970 0.466 0.466 ! spec=13C NOESY, no=1059, id=2593
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   99 and name  HZ2) 2.747 0.905 0.905 ! spec=13C NOESY, no=1060, id=2594
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   94 and name  HD1) 2.503 0.752 0.752 ! spec=13C NOESY, no=1062, id=2596
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   94 and name  HG1) 2.949 2.949 3.051 ! spec=13C NOESY, no=1063, id=2597
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   93 and name  HG1) 2.509 0.756 0.756 ! spec=13C NOESY, no=1065, id=2599
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  121 and name   HA) 2.474 0.735 0.735 ! spec=13C NOESY, no=1068, id=2602
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  114 and name   HN) 2.982 2.982 3.018 ! spec=13C NOESY, no=1070, id=2604
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  113 and name   HA) 2.516 2.516 3.484 ! spec=13C NOESY, no=1071, id=2605
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  105 and name  HB1) 2.786 0.931 0.931 ! spec=13C NOESY, no=1073, id=2607
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  105 and name  HB2) 2.951 1.045 1.045 ! spec=13C NOESY, no=1074, id=2608
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  121 and name  HB1) 2.748 0.906 0.906 ! spec=13C NOESY, no=1075, id=2609
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  121 and name  HB2) 2.673 0.858 0.858 ! spec=13C NOESY, no=1076, id=2610
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  108 and name  HB2) 2.356 0.666 0.666 ! spec=13C NOESY, no=1080, id=2614
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  108 and name  HB1) 2.356 0.666 0.666 ! spec=13C NOESY, no=1080, id=2614
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  108 and name  HB3) 2.356 0.666 0.666 ! spec=13C NOESY, no=1080, id=2614
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB2) 2.767 0.919 0.919 ! spec=13C NOESY, no=1081, id=2615
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB1) 2.767 0.919 0.919 ! spec=13C NOESY, no=1081, id=2615
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB3) 2.767 0.919 0.919 ! spec=13C NOESY, no=1081, id=2615
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  108 and name  HB2) 2.396 0.689 0.689 ! spec=13C NOESY, no=1082, id=2616
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  108 and name  HB1) 2.396 0.689 0.689 ! spec=13C NOESY, no=1082, id=2616
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  108 and name  HB3) 2.396 0.689 0.689 ! spec=13C NOESY, no=1082, id=2616
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  108 and name   HA) 2.314 0.642 0.642 ! spec=13C NOESY, no=1085, id=2619
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  108 and name   HA) 2.314 0.642 0.642 ! spec=13C NOESY, no=1085, id=2619
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  108 and name   HA) 2.314 0.642 0.642 ! spec=13C NOESY, no=1085, id=2619
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name   HB) 2.899 1.008 1.008 ! spec=13C NOESY, no=1089, id=2623
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name   HB) 2.899 1.008 1.008 ! spec=13C NOESY, no=1089, id=2623
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name   HB) 2.899 1.008 1.008 ! spec=13C NOESY, no=1089, id=2623
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD12) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD11) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD13) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD12) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD11) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD13) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD12) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD11) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD13) 2.812 2.812 3.188 ! spec=13C NOESY, no=1091, id=2625
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   89 and name  HB2) 2.228 0.596 0.596 ! spec=13C NOESY, no=1095, id=2629
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   89 and name  HB1) 2.228 0.596 0.596 ! spec=13C NOESY, no=1095, id=2629
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   89 and name  HB3) 2.228 0.596 0.596 ! spec=13C NOESY, no=1095, id=2629
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   99 and name  HZ3) 2.557 2.557 3.443 ! spec=13C NOESY, no=1098, id=2632
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   99 and name  HZ3) 2.557 2.557 3.443 ! spec=13C NOESY, no=1098, id=2632
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   99 and name  HZ3) 2.557 2.557 3.443 ! spec=13C NOESY, no=1098, id=2632
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   86 and name   HA) 2.205 2.205 3.795 ! spec=13C NOESY, no=1099, id=2633
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   86 and name   HA) 2.205 2.205 3.795 ! spec=13C NOESY, no=1099, id=2633
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   86 and name   HA) 2.205 2.205 3.795 ! spec=13C NOESY, no=1099, id=2633
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   89 and name  HB2) 1.959 0.460 0.460 ! spec=13C NOESY, no=1100, id=2634
! violated assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   89 and name  HB1) 1.959 0.460 0.460 ! spec=13C NOESY, no=1100, id=2634
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   89 and name  HB3) 1.959 0.460 0.460 ! spec=13C NOESY, no=1100, id=2634
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD22) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD21) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD23) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD22) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD21) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD23) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD22) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD21) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD23) 2.170 0.565 0.565 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG12) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG11) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG13) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG12) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG11) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG13) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG12) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG11) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG13) 1.954 1.954 4.046 ! spec=13C NOESY, no=1104, id=2638
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD12) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD11) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD13) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD12) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD11) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD13) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD12) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD11) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD13) 2.086 0.522 0.522 ! spec=13C NOESY, no=1105, id=2639
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HD12) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HD11) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HD13) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HD12) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HD11) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HD13) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HD12) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HD11) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HD13) 2.513 2.513 3.487 ! spec=13C NOESY, no=1106, id=2640
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   89 and name  HB2) 1.985 1.985 4.015 ! spec=13C NOESY, no=1108, id=2642
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   89 and name  HB1) 1.985 1.985 4.015 ! spec=13C NOESY, no=1108, id=2642
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   89 and name  HB3) 1.985 1.985 4.015 ! spec=13C NOESY, no=1108, id=2642
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C NOESY, no=1109, id=2643
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C NOESY, no=1109, id=2643
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C NOESY, no=1109, id=2643
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   50 and name   HA) 2.514 2.514 3.486 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   50 and name   HA) 2.514 2.514 3.486 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   50 and name   HA) 2.514 2.514 3.486 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  107 and name   HA) 3.084 1.141 1.141 ! spec=13C NOESY, no=1113, id=2647
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name   HA) 2.726 0.892 0.892 ! spec=13C NOESY, no=1115, id=2649
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HG1) 2.824 0.957 0.957 ! spec=13C NOESY, no=1119, id=2653
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HG2) 2.855 0.978 0.978 ! spec=13C NOESY, no=1120, id=2654
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HB2) 2.523 0.764 0.764 ! spec=13C NOESY, no=1121, id=2655
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name  HB2) 2.657 0.847 0.847 ! spec=13C NOESY, no=1123, id=2657
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  103 and name HG12) 2.809 2.809 3.191 ! spec=13C NOESY, no=1124, id=2658
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  103 and name HG11) 2.809 2.809 3.191 ! spec=13C NOESY, no=1124, id=2658
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  103 and name HG13) 2.809 2.809 3.191 ! spec=13C NOESY, no=1124, id=2658
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD22) 2.039 0.499 0.499 ! spec=13C NOESY, no=1125, id=2659
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD21) 2.039 0.499 0.499 ! spec=13C NOESY, no=1125, id=2659
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD23) 2.039 0.499 0.499 ! spec=13C NOESY, no=1125, id=2659
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name   HA) 2.472 2.472 3.528 ! spec=13C NOESY, no=1127, id=2661
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name   HA) 2.472 2.472 3.528 ! spec=13C NOESY, no=1127, id=2661
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    2 and name   HA) 2.472 2.472 3.528 ! spec=13C NOESY, no=1127, id=2661
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG12) 2.564 2.564 3.436 ! spec=13C NOESY, no=1130, id=2663
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG11) 2.564 2.564 3.436 ! spec=13C NOESY, no=1130, id=2663
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG13) 2.564 2.564 3.436 ! spec=13C NOESY, no=1130, id=2663
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   79 and name   HA) 2.645 2.645 3.355 ! spec=13C NOESY, no=1139, id=2672
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   79 and name   HA) 2.645 2.645 3.355 ! spec=13C NOESY, no=1139, id=2672
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   79 and name   HA) 2.645 2.645 3.355 ! spec=13C NOESY, no=1139, id=2672
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   77 and name  HB1) 2.538 2.538 3.462 ! spec=13C NOESY, no=1140, id=2673
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name  HB1) 2.538 2.538 3.462 ! spec=13C NOESY, no=1140, id=2673
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   77 and name  HB1) 2.538 2.538 3.462 ! spec=13C NOESY, no=1140, id=2673
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   77 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=1141, id=2674
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=1141, id=2674
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   77 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=1141, id=2674
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   76 and name   HA) 2.901 2.901 3.099 ! spec=13C NOESY, no=1150, id=2683
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   76 and name   HA) 2.901 2.901 3.099 ! spec=13C NOESY, no=1150, id=2683
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   76 and name   HA) 2.901 2.901 3.099 ! spec=13C NOESY, no=1150, id=2683
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD22) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD21) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD23) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD22) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD21) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD23) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD22) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD21) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD23) 2.216 0.589 0.589 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG12) 2.196 0.579 0.579 ! spec=13C NOESY, no=1154, id=2687
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG11) 2.196 0.579 0.579 ! spec=13C NOESY, no=1154, id=2687
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG13) 2.196 0.579 0.579 ! spec=13C NOESY, no=1154, id=2687
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG12) 2.633 2.633 3.367 ! spec=13C NOESY, no=1157, id=2690
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG11) 2.633 2.633 3.367 ! spec=13C NOESY, no=1157, id=2690
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG13) 2.633 2.633 3.367 ! spec=13C NOESY, no=1157, id=2690
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   51 and name   HB) 2.241 0.603 0.603 ! spec=13C NOESY, no=1160, id=2693
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   51 and name   HB) 2.241 0.603 0.603 ! spec=13C NOESY, no=1160, id=2693
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   51 and name   HB) 2.241 0.603 0.603 ! spec=13C NOESY, no=1160, id=2693
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name   HA) 2.351 0.663 0.663 ! spec=13C NOESY, no=1162, id=2695
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name  HB1) 2.082 0.520 0.520 ! spec=13C NOESY, no=1164, id=2697
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name  HB2) 2.127 2.127 3.873 ! spec=13C NOESY, no=1165, id=2698
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HA) 2.644 0.839 0.839 ! spec=13C NOESY, no=1167, id=2700
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 2.005 2.005 3.995 ! spec=13C NOESY, no=1169, id=2702
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB1) 2.005 2.005 3.995 ! spec=13C NOESY, no=1169, id=2702
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB3) 2.005 2.005 3.995 ! spec=13C NOESY, no=1169, id=2702
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB2) 2.122 2.122 3.878 ! spec=13C NOESY, no=1170, id=2703
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB1) 2.122 2.122 3.878 ! spec=13C NOESY, no=1170, id=2703
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB3) 2.122 2.122 3.878 ! spec=13C NOESY, no=1170, id=2703
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  105 and name   HA) 2.464 0.729 0.729 ! spec=13C NOESY, no=1173, id=2706
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  105 and name   HA) 2.464 0.729 0.729 ! spec=13C NOESY, no=1173, id=2706
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  105 and name   HA) 2.464 0.729 0.729 ! spec=13C NOESY, no=1173, id=2706
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 1.931 1.931 4.069 ! spec=13C NOESY, no=1174, id=2707
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1) 1.931 1.931 4.069 ! spec=13C NOESY, no=1174, id=2707
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB3) 1.931 1.931 4.069 ! spec=13C NOESY, no=1174, id=2707
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name  HB1) 2.379 2.379 3.621 ! spec=13C NOESY, no=1177, id=2710
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name  HB1) 2.379 2.379 3.621 ! spec=13C NOESY, no=1177, id=2710
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    2 and name  HB1) 2.379 2.379 3.621 ! spec=13C NOESY, no=1177, id=2710
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  121 and name  HB2) 2.325 2.325 3.675 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  121 and name  HB2) 2.325 2.325 3.675 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  121 and name  HB2) 2.325 2.325 3.675 ! spec=13C NOESY, no=1178, id=2711
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HB1) 2.280 0.624 0.624 ! spec=13C NOESY, no=1179, id=2712
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HB1) 2.280 0.624 0.624 ! spec=13C NOESY, no=1179, id=2712
! violated assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HB1) 2.280 0.624 0.624 ! spec=13C NOESY, no=1179, id=2712
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB2) 1.794 1.794 4.206 ! spec=13C NOESY, no=1186, id=2719
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB1) 1.794 1.794 4.206 ! spec=13C NOESY, no=1186, id=2719
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB3) 1.794 1.794 4.206 ! spec=13C NOESY, no=1186, id=2719
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name  HB2) 2.058 2.058 3.942 ! spec=13C NOESY, no=1187, id=2720
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name  HB1) 2.058 2.058 3.942 ! spec=13C NOESY, no=1187, id=2720
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name  HB3) 2.058 2.058 3.942 ! spec=13C NOESY, no=1187, id=2720
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB2) 2.900 2.900 3.100 ! spec=13C NOESY, no=1188, id=2721
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB1) 2.900 2.900 3.100 ! spec=13C NOESY, no=1188, id=2721
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB3) 2.900 2.900 3.100 ! spec=13C NOESY, no=1188, id=2721
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 1.641 1.641 4.359 ! spec=13C NOESY, no=1189, id=2722
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 1.641 1.641 4.359 ! spec=13C NOESY, no=1189, id=2722
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB3) 1.641 1.641 4.359 ! spec=13C NOESY, no=1189, id=2722
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name  HB2) 2.692 2.692 3.308 ! spec=13C NOESY, no=1191, id=2724
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name  HB2) 2.692 2.692 3.308 ! spec=13C NOESY, no=1191, id=2724
assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   15 and name  HB2) 2.692 2.692 3.308 ! spec=13C NOESY, no=1191, id=2724
! violated assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   60 and name HG22) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   60 and name HG21) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   60 and name HG23) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   60 and name HG22) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   60 and name HG21) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   60 and name HG23) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   60 and name HG22) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   60 and name HG21) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   60 and name HG23) 2.862 2.862 3.138 ! spec=13C NOESY, no=1194, id=2727
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG22) 2.468 2.468 3.532 ! spec=13C NOESY, no=1195, id=2728
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG21) 2.468 2.468 3.532 ! spec=13C NOESY, no=1195, id=2728
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG23) 2.468 2.468 3.532 ! spec=13C NOESY, no=1195, id=2728
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG22) 2.270 0.618 0.618 ! spec=13C NOESY, no=1197, id=2730
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG21) 2.270 0.618 0.618 ! spec=13C NOESY, no=1197, id=2730
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG23) 2.270 0.618 0.618 ! spec=13C NOESY, no=1197, id=2730
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid   59 and name   HA) 2.279 2.279 3.721 ! spec=13C NOESY, no=1199, id=2731
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid   59 and name   HA) 2.279 2.279 3.721 ! spec=13C NOESY, no=1199, id=2731
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid   59 and name   HA) 2.279 2.279 3.721 ! spec=13C NOESY, no=1199, id=2731
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name   HA) 2.294 0.631 0.631 ! spec=13C NOESY, no=1201, id=2733
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name   HA) 2.294 0.631 0.631 ! spec=13C NOESY, no=1201, id=2733
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name   HA) 2.294 0.631 0.631 ! spec=13C NOESY, no=1201, id=2733
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  122 and name  HG2) 2.239 0.602 0.602 ! spec=13C NOESY, no=1202, id=2734
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  122 and name  HG2) 2.239 0.602 0.602 ! spec=13C NOESY, no=1202, id=2734
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  122 and name  HG2) 2.239 0.602 0.602 ! spec=13C NOESY, no=1202, id=2734
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name   HB) 2.127 0.543 0.543 ! spec=13C NOESY, no=1203, id=2735
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name   HB) 2.127 0.543 0.543 ! spec=13C NOESY, no=1203, id=2735
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name   HB) 2.127 0.543 0.543 ! spec=13C NOESY, no=1203, id=2735
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  124 and name   HG) 2.741 0.902 0.902 ! spec=13C NOESY, no=1204, id=2736
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  124 and name   HG) 2.741 0.902 0.902 ! spec=13C NOESY, no=1204, id=2736
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  124 and name   HG) 2.741 0.902 0.902 ! spec=13C NOESY, no=1204, id=2736
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  124 and name HD12) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  124 and name HD11) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  124 and name HD13) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  124 and name HD12) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  124 and name HD11) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  124 and name HD13) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  124 and name HD12) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  124 and name HD11) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  124 and name HD13) 2.425 0.706 0.706 ! spec=13C NOESY, no=1205, id=2737
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name HG12) 2.310 2.310 3.690 ! spec=13C NOESY, no=1206, id=2738
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name HG12) 2.310 2.310 3.690 ! spec=13C NOESY, no=1206, id=2738
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name HG12) 2.310 2.310 3.690 ! spec=13C NOESY, no=1206, id=2738
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name HD12) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name HD11) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name HD13) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name HD12) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name HD11) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name HD13) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name HD12) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name HD11) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name HD13) 2.034 2.034 3.966 ! spec=13C NOESY, no=1207, id=2739
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB2) 1.945 1.945 4.055 ! spec=13C NOESY, no=1210, id=2742
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB1) 1.945 1.945 4.055 ! spec=13C NOESY, no=1210, id=2742
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB3) 1.945 1.945 4.055 ! spec=13C NOESY, no=1210, id=2742
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB2) 2.258 2.258 3.742 ! spec=13C NOESY, no=1211, id=2743
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB1) 2.258 2.258 3.742 ! spec=13C NOESY, no=1211, id=2743
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB3) 2.258 2.258 3.742 ! spec=13C NOESY, no=1211, id=2743
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   95 and name  HB2) 2.362 2.362 3.638 ! spec=13C NOESY, no=1213, id=2745
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   95 and name  HB1) 2.362 2.362 3.638 ! spec=13C NOESY, no=1213, id=2745
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   95 and name  HB3) 2.362 2.362 3.638 ! spec=13C NOESY, no=1213, id=2745
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   95 and name  HB2) 2.126 0.542 0.542 ! spec=13C NOESY, no=1214, id=2746
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   95 and name  HB1) 2.126 0.542 0.542 ! spec=13C NOESY, no=1214, id=2746
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   95 and name  HB3) 2.126 0.542 0.542 ! spec=13C NOESY, no=1214, id=2746
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   97 and name   HN) 2.874 2.874 3.126 ! spec=13C NOESY, no=1215, id=2747
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   97 and name   HN) 2.874 2.874 3.126 ! spec=13C NOESY, no=1215, id=2747
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   97 and name   HN) 2.874 2.874 3.126 ! spec=13C NOESY, no=1215, id=2747
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   44 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=1216, id=2748
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   44 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=1216, id=2748
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   44 and name   HA) 2.896 2.896 3.104 ! spec=13C NOESY, no=1216, id=2748
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   42 and name  HA2) 2.132 2.132 3.868 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   42 and name  HA2) 2.132 2.132 3.868 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   42 and name  HA2) 2.132 2.132 3.868 ! spec=13C NOESY, no=1218, id=2750
! violated assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   42 and name  HA1) 2.038 0.498 0.498 ! spec=13C NOESY, no=1220, id=2752
! violated assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   42 and name  HA1) 2.038 0.498 0.498 ! spec=13C NOESY, no=1220, id=2752
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   42 and name  HA1) 2.038 0.498 0.498 ! spec=13C NOESY, no=1220, id=2752
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   95 and name  HB2) 2.070 0.514 0.514 ! spec=13C NOESY, no=1221, id=2753
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   95 and name  HB1) 2.070 0.514 0.514 ! spec=13C NOESY, no=1221, id=2753
! violated assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   95 and name  HB3) 2.070 0.514 0.514 ! spec=13C NOESY, no=1221, id=2753
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name   HB) 2.869 2.869 3.131 ! spec=13C NOESY, no=1222, id=2754
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name   HB) 2.869 2.869 3.131 ! spec=13C NOESY, no=1222, id=2754
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name   HB) 2.869 2.869 3.131 ! spec=13C NOESY, no=1222, id=2754
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name  HB1) 2.864 2.864 3.136 ! spec=13C NOESY, no=1223, id=2755
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name  HB1) 2.864 2.864 3.136 ! spec=13C NOESY, no=1223, id=2755
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name  HB1) 2.864 2.864 3.136 ! spec=13C NOESY, no=1223, id=2755
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG12) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG11) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
! violated assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG13) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG12) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG11) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG13) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG12) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG11) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG13) 1.848 1.848 4.152 ! spec=13C NOESY, no=1226, id=2758
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name HD12) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
! violated assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name HD11) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name HD13) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name HD12) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name HD11) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name HD13) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
! violated assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name HD12) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
! violated assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name HD11) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name HD13) 2.217 2.217 3.783 ! spec=13C NOESY, no=1227, id=2759
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  125 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=1228, id=2760
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  125 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=1228, id=2760
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  125 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=1228, id=2760
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HD12) 3.093 3.093 2.907 ! spec=13C NOESY, no=1229, id=2761
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HD11) 3.093 3.093 2.907 ! spec=13C NOESY, no=1229, id=2761
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HD13) 3.093 3.093 2.907 ! spec=13C NOESY, no=1229, id=2761
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD12) 2.796 0.938 0.938 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD11) 2.796 0.938 0.938 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD13) 2.796 0.938 0.938 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD12) 2.240 0.602 0.602 ! spec=13C NOESY, no=1232, id=2764
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD11) 2.240 0.602 0.602 ! spec=13C NOESY, no=1232, id=2764
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD13) 2.240 0.602 0.602 ! spec=13C NOESY, no=1232, id=2764
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD12) 2.655 2.655 3.345 ! spec=13C NOESY, no=1233, id=2765
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD11) 2.655 2.655 3.345 ! spec=13C NOESY, no=1233, id=2765
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD13) 2.655 2.655 3.345 ! spec=13C NOESY, no=1233, id=2765
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid   15 and name  HE1) 2.618 0.822 0.822 ! spec=13C NOESY, no=1235, id=2767
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  102 and name  HD1) 2.393 0.687 0.687 ! spec=13C NOESY, no=1236, id=2768
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid   15 and name   HZ) 2.393 0.687 0.687 ! spec=13C NOESY, no=1237, id=2769
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  126 and name   HA) 3.010 3.010 2.990 ! spec=13C NOESY, no=1238, id=2770
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  126 and name   HA) 3.010 3.010 2.990 ! spec=13C NOESY, no=1238, id=2770
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  126 and name   HA) 3.010 3.010 2.990 ! spec=13C NOESY, no=1238, id=2770
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  100 and name   HA) 3.100 1.154 1.154 ! spec=13C NOESY, no=1239, id=2771
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  100 and name   HA) 3.100 1.154 1.154 ! spec=13C NOESY, no=1239, id=2771
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  100 and name   HA) 3.100 1.154 1.154 ! spec=13C NOESY, no=1239, id=2771
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  100 and name  HG2) 2.129 0.544 0.544 ! spec=13C NOESY, no=1242, id=2774
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  100 and name  HG2) 2.129 0.544 0.544 ! spec=13C NOESY, no=1242, id=2774
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  100 and name  HG2) 2.129 0.544 0.544 ! spec=13C NOESY, no=1242, id=2774
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  125 and name HG11) 2.194 0.578 0.578 ! spec=13C NOESY, no=1243, id=2775
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  125 and name HG11) 2.194 0.578 0.578 ! spec=13C NOESY, no=1243, id=2775
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  125 and name HG11) 2.194 0.578 0.578 ! spec=13C NOESY, no=1243, id=2775
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD12) 2.659 2.659 3.341 ! spec=13C NOESY, no=1249, id=2781
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD11) 2.659 2.659 3.341 ! spec=13C NOESY, no=1249, id=2781
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD13) 2.659 2.659 3.341 ! spec=13C NOESY, no=1249, id=2781
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   15 and name  HD1) 2.200 2.200 3.800 ! spec=13C NOESY, no=1250, id=2782
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   15 and name  HD1) 2.200 2.200 3.800 ! spec=13C NOESY, no=1250, id=2782
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   15 and name  HD1) 2.200 2.200 3.800 ! spec=13C NOESY, no=1250, id=2782
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   59 and name   HA) 2.322 2.322 3.678 ! spec=13C NOESY, no=1252, id=2784
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   59 and name   HA) 2.322 2.322 3.678 ! spec=13C NOESY, no=1252, id=2784
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   59 and name   HA) 2.322 2.322 3.678 ! spec=13C NOESY, no=1252, id=2784
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   12 and name  HA2) 2.776 0.925 0.925 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   12 and name  HA2) 2.776 0.925 0.925 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   12 and name  HA2) 2.776 0.925 0.925 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   12 and name  HA1) 2.470 0.732 0.732 ! spec=13C NOESY, no=1255, id=2787
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   12 and name  HA1) 2.470 0.732 0.732 ! spec=13C NOESY, no=1255, id=2787
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   12 and name  HA1) 2.470 0.732 0.732 ! spec=13C NOESY, no=1255, id=2787
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name   HA) 2.038 0.499 0.499 ! spec=13C NOESY, no=1256, id=2788
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name   HA) 2.038 0.499 0.499 ! spec=13C NOESY, no=1256, id=2788
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name   HA) 2.038 0.499 0.499 ! spec=13C NOESY, no=1256, id=2788
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   59 and name   HG) 2.850 0.975 0.975 ! spec=13C NOESY, no=1258, id=2790
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   59 and name   HG) 2.850 0.975 0.975 ! spec=13C NOESY, no=1258, id=2790
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   59 and name   HG) 2.850 0.975 0.975 ! spec=13C NOESY, no=1258, id=2790
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name   HB) 2.042 2.042 3.958 ! spec=13C NOESY, no=1259, id=2791
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name   HB) 2.042 2.042 3.958 ! spec=13C NOESY, no=1259, id=2791
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name   HB) 2.042 2.042 3.958 ! spec=13C NOESY, no=1259, id=2791
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG12) 1.870 1.870 4.130 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG12) 1.870 1.870 4.130 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG12) 1.870 1.870 4.130 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  102 and name  HD1) 2.947 2.947 3.053 ! spec=13C NOESY, no=1265, id=2796
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  102 and name  HD1) 2.947 2.947 3.053 ! spec=13C NOESY, no=1265, id=2796
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  102 and name  HD1) 2.947 2.947 3.053 ! spec=13C NOESY, no=1265, id=2796
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HE3) 2.298 2.298 3.702 ! spec=13C NOESY, no=1266, id=2797
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HE3) 2.298 2.298 3.702 ! spec=13C NOESY, no=1266, id=2797
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HE3) 2.298 2.298 3.702 ! spec=13C NOESY, no=1266, id=2797
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   34 and name   HA) 2.319 2.319 3.681 ! spec=13C NOESY, no=1267, id=2798
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   34 and name   HA) 2.319 2.319 3.681 ! spec=13C NOESY, no=1267, id=2798
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   34 and name   HA) 2.319 2.319 3.681 ! spec=13C NOESY, no=1267, id=2798
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG22) 2.889 2.889 3.111 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG21) 2.889 2.889 3.111 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG23) 2.889 2.889 3.111 ! spec=13C NOESY, no=1268, id=2799
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HB1) 2.564 0.789 0.789 ! spec=13C NOESY, no=1269, id=2800
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HB1) 2.564 0.789 0.789 ! spec=13C NOESY, no=1269, id=2800
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HB1) 2.564 0.789 0.789 ! spec=13C NOESY, no=1269, id=2800
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=1270, id=2801
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=1270, id=2801
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=1270, id=2801
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD12) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD11) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD13) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD12) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD11) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD13) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD12) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD11) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD13) 1.996 1.996 4.004 ! spec=13C NOESY, no=1271, id=2802
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  128 and name HD12) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  128 and name HD11) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  128 and name HD13) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  128 and name HD12) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  128 and name HD11) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  128 and name HD13) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  128 and name HD12) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  128 and name HD11) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  128 and name HD13) 2.351 2.351 3.649 ! spec=13C NOESY, no=1272, id=2803
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HD1) 3.006 1.085 1.085 ! spec=13C NOESY, no=1273, id=2804
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  104 and name  HD2) 2.767 0.919 0.919 ! spec=13C NOESY, no=1274, id=2805
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  104 and name  HB1) 3.125 1.172 1.172 ! spec=13C NOESY, no=1275, id=2806
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  104 and name  HG2) 2.727 0.892 0.892 ! spec=13C NOESY, no=1276, id=2807
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  104 and name  HD1) 3.011 1.088 1.088 ! spec=13C NOESY, no=1277, id=2808
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  104 and name  HD1) 3.011 1.088 1.088 ! spec=13C NOESY, no=1277, id=2808
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  104 and name  HD1) 3.011 1.088 1.088 ! spec=13C NOESY, no=1277, id=2808
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG12) 2.675 0.859 0.859 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG11) 2.675 0.859 0.859 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG13) 2.675 0.859 0.859 ! spec=13C NOESY, no=1278, id=2809
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB1) 3.039 1.108 1.108 ! spec=13C NOESY, no=1282, id=2813
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG22) 2.289 0.629 0.629 ! spec=13C NOESY, no=1289, id=2814
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG21) 2.289 0.629 0.629 ! spec=13C NOESY, no=1289, id=2814
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG23) 2.289 0.629 0.629 ! spec=13C NOESY, no=1289, id=2814
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   34 and name  HB2) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   34 and name  HB1) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   34 and name  HB2) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   34 and name  HB1) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   34 and name  HB2) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   34 and name  HB1) 2.065 0.512 0.512 ! spec=13C NOESY, no=1292, id=2817
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HG22) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HG21) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HG23) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HG22) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HG21) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HG23) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HG22) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HG21) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HG23) 1.870 1.870 4.130 ! spec=13C NOESY, no=1293, id=2818
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG22) 2.268 2.268 3.732 ! spec=13C NOESY, no=1295, id=2820
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG21) 2.268 2.268 3.732 ! spec=13C NOESY, no=1295, id=2820
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG23) 2.268 2.268 3.732 ! spec=13C NOESY, no=1295, id=2820
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG22) 2.419 2.419 3.581 ! spec=13C NOESY, no=1296, id=2821
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG21) 2.419 2.419 3.581 ! spec=13C NOESY, no=1296, id=2821
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG23) 2.419 2.419 3.581 ! spec=13C NOESY, no=1296, id=2821
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   38 and name HD22) 2.843 0.970 0.970 ! spec=13C NOESY, no=1297, id=2822
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   38 and name HD22) 2.843 0.970 0.970 ! spec=13C NOESY, no=1297, id=2822
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   38 and name HD22) 2.843 0.970 0.970 ! spec=13C NOESY, no=1297, id=2822
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   38 and name HD21) 2.826 0.959 0.959 ! spec=13C NOESY, no=1298, id=2823
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   38 and name HD21) 2.826 0.959 0.959 ! spec=13C NOESY, no=1298, id=2823
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   38 and name HD21) 2.826 0.959 0.959 ! spec=13C NOESY, no=1298, id=2823
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   37 and name   HA) 1.931 1.931 4.069 ! spec=13C NOESY, no=1301, id=2826
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HA) 1.931 1.931 4.069 ! spec=13C NOESY, no=1301, id=2826
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   37 and name   HA) 1.931 1.931 4.069 ! spec=13C NOESY, no=1301, id=2826
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   98 and name   HB) 2.457 2.457 3.543 ! spec=13C NOESY, no=1302, id=2827
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   98 and name   HB) 2.457 2.457 3.543 ! spec=13C NOESY, no=1302, id=2827
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   98 and name   HB) 2.457 2.457 3.543 ! spec=13C NOESY, no=1302, id=2827
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   37 and name   HB) 1.923 1.923 4.077 ! spec=13C NOESY, no=1304, id=2829
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HB) 1.923 1.923 4.077 ! spec=13C NOESY, no=1304, id=2829
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   37 and name   HB) 1.923 1.923 4.077 ! spec=13C NOESY, no=1304, id=2829
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  129 and name  HE1) 2.715 2.715 3.285 ! spec=13C NOESY, no=1305, id=2830
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  129 and name  HE1) 2.715 2.715 3.285 ! spec=13C NOESY, no=1305, id=2830
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  129 and name  HE1) 2.715 2.715 3.285 ! spec=13C NOESY, no=1305, id=2830
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  131 and name HG22) 2.656 2.656 3.344 ! spec=13C NOESY, no=1306, id=2831
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  131 and name HG21) 2.656 2.656 3.344 ! spec=13C NOESY, no=1306, id=2831
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  131 and name HG23) 2.656 2.656 3.344 ! spec=13C NOESY, no=1306, id=2831
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  131 and name HG11) 2.003 2.003 3.997 ! spec=13C NOESY, no=1308, id=2833
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  131 and name HG11) 2.003 2.003 3.997 ! spec=13C NOESY, no=1308, id=2833
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  131 and name HG11) 2.003 2.003 3.997 ! spec=13C NOESY, no=1308, id=2833
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG22) 2.349 2.349 3.651 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG21) 2.349 2.349 3.651 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG23) 2.349 2.349 3.651 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HG22) 2.286 2.286 3.714 ! spec=13C NOESY, no=1310, id=2835
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HG21) 2.286 2.286 3.714 ! spec=13C NOESY, no=1310, id=2835
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HG23) 2.286 2.286 3.714 ! spec=13C NOESY, no=1310, id=2835
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   53 and name   HA) 2.869 2.869 3.131 ! spec=13C NOESY, no=1311, id=2836
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   53 and name   HA) 2.869 2.869 3.131 ! spec=13C NOESY, no=1311, id=2836
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   53 and name   HA) 2.869 2.869 3.131 ! spec=13C NOESY, no=1311, id=2836
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  131 and name   HA) 1.981 1.981 4.019 ! spec=13C NOESY, no=1314, id=2839
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  131 and name   HA) 1.981 1.981 4.019 ! spec=13C NOESY, no=1314, id=2839
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  131 and name   HA) 1.981 1.981 4.019 ! spec=13C NOESY, no=1314, id=2839
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   74 and name  HG2) 2.715 0.884 0.884 ! spec=13C NOESY, no=1315, id=2840
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   74 and name  HG2) 2.715 0.884 0.884 ! spec=13C NOESY, no=1315, id=2840
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   74 and name  HG2) 2.715 0.884 0.884 ! spec=13C NOESY, no=1315, id=2840
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  131 and name   HB) 1.991 0.476 0.476 ! spec=13C NOESY, no=1316, id=2841
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  131 and name   HB) 1.991 0.476 0.476 ! spec=13C NOESY, no=1316, id=2841
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  131 and name   HB) 1.991 0.476 0.476 ! spec=13C NOESY, no=1316, id=2841
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  131 and name HG12) 2.168 2.168 3.832 ! spec=13C NOESY, no=1317, id=2842
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  131 and name HG12) 2.168 2.168 3.832 ! spec=13C NOESY, no=1317, id=2842
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  131 and name HG12) 2.168 2.168 3.832 ! spec=13C NOESY, no=1317, id=2842
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HG2) 2.601 0.812 0.812 ! spec=13C NOESY, no=1318, id=2843
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD12) 2.257 0.611 0.611 ! spec=13C NOESY, no=1342, id=2845
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD11) 2.257 0.611 0.611 ! spec=13C NOESY, no=1342, id=2845
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD13) 2.257 0.611 0.611 ! spec=13C NOESY, no=1342, id=2845
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  108 and name   HA) 2.825 0.957 0.957 ! spec=13C NOESY, no=1352, id=2854
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid  109 and name  HD1) 3.238 1.258 1.258 ! spec=13C NOESY, no=1353, id=2855
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid  103 and name HG12) 2.780 0.927 0.927 ! spec=13C NOESY, no=1356, id=2858
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid  103 and name HG11) 2.780 0.927 0.927 ! spec=13C NOESY, no=1356, id=2858
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid  103 and name HG13) 2.780 0.927 0.927 ! spec=13C NOESY, no=1356, id=2858
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   44 and name  HB2) 2.700 0.875 0.875 ! spec=13C NOESY, no=1359, id=2861
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name   HA) 3.171 1.207 1.207 ! spec=13C NOESY, no=1361, id=2863
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name  HD2) 2.479 0.737 0.737 ! spec=13C NOESY, no=1362, id=2864
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name  HG1) 2.687 0.866 0.866 ! spec=13C NOESY, no=1363, id=2865
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name  HG2) 2.560 0.786 0.786 ! spec=13C NOESY, no=1364, id=2866
! violated assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG12) 2.844 0.971 0.971 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG11) 2.844 0.971 0.971 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG13) 2.844 0.971 0.971 ! spec=13C NOESY, no=1366, id=2868
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   45 and name  HD2) 2.755 0.911 0.911 ! spec=13C NOESY, no=1367, id=2869
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   44 and name  HB1) 2.580 0.799 0.799 ! spec=13C NOESY, no=1370, id=2872
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HG1) 2.709 0.881 0.881 ! spec=13C NOESY, no=1373, id=2875
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   60 and name HD12) 2.576 2.576 3.424 ! spec=13C NOESY, no=1374, id=2876
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   60 and name HD11) 2.576 2.576 3.424 ! spec=13C NOESY, no=1374, id=2876
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   60 and name HD13) 2.576 2.576 3.424 ! spec=13C NOESY, no=1374, id=2876
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG11) 1.919 1.919 4.081 ! spec=13C NOESY, no=1380, id=2880
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG11) 1.919 1.919 4.081 ! spec=13C NOESY, no=1380, id=2880
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG11) 1.919 1.919 4.081 ! spec=13C NOESY, no=1380, id=2880
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HD2) 2.739 0.900 0.900 ! spec=13C NOESY, no=1386, id=2886
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name   HA) 2.499 0.749 0.749 ! spec=13C NOESY, no=1388, id=2888
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  110 and name  HA2) 2.368 0.673 0.673 ! spec=13C NOESY, no=1389, id=2889
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name  HD2) 2.153 0.556 0.556 ! spec=13C NOESY, no=1390, id=2890
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   41 and name   HN) 2.890 1.002 1.002 ! spec=13C NOESY, no=1401, id=2901
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   97 and name  HB1) 2.415 0.700 0.700 ! spec=13C NOESY, no=1403, id=2903
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HB1) 3.107 1.159 1.159 ! spec=13C NOESY, no=1408, id=2908
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HG1) 2.521 0.762 0.762 ! spec=13C NOESY, no=1409, id=2909
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   83 and name HG22) 2.773 0.923 0.923 ! spec=13C NOESY, no=1410, id=2910
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   83 and name HG21) 2.773 0.923 0.923 ! spec=13C NOESY, no=1410, id=2910
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   83 and name HG23) 2.773 0.923 0.923 ! spec=13C NOESY, no=1410, id=2910
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   99 and name  HZ2) 2.877 0.993 0.993 ! spec=13C NOESY, no=1411, id=2911
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   41 and name HD21) 3.102 3.102 2.898 ! spec=13C NOESY, no=1412, id=2912
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   44 and name  HE2) 3.000 1.080 1.080 ! spec=13C NOESY, no=1414, id=2914
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   44 and name  HE1) 3.000 1.080 1.080 ! spec=13C NOESY, no=1414, id=2914
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HB1) 3.041 1.109 1.109 ! spec=13C NOESY, no=1415, id=2915
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HG1) 2.654 0.845 0.845 ! spec=13C NOESY, no=1416, id=2916
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HG2) 2.622 0.825 0.825 ! spec=13C NOESY, no=1417, id=2917
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name  HD1) 2.850 2.850 3.150 ! spec=13C NOESY, no=1421, id=2921
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HD1) 2.153 0.556 0.556 ! spec=13C NOESY, no=1422, id=2922
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HG2) 1.956 0.459 0.459 ! spec=13C NOESY, no=1425, id=2925
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name  HD1) 2.956 1.048 1.048 ! spec=13C NOESY, no=1429, id=2929
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   73 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=1430, id=2930
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   99 and name  HZ2) 2.920 1.024 1.024 ! spec=13C NOESY, no=1432, id=2932
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   94 and name  HD2) 3.002 1.082 1.082 ! spec=13C NOESY, no=1433, id=2933
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   73 and name   HA) 2.151 0.555 0.555 ! spec=13C NOESY, no=1438, id=2938
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HD2) 2.157 0.558 0.558 ! spec=13C NOESY, no=1440, id=2940
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HB2) 2.123 0.541 0.541 ! spec=13C NOESY, no=1444, id=2944
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD12) 2.769 2.769 3.231 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD11) 2.769 2.769 3.231 ! spec=13C NOESY, no=1446, id=2946
! violated assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD13) 2.769 2.769 3.231 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG22) 2.526 2.526 3.474 ! spec=13C NOESY, no=1465, id=2949
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG21) 2.526 2.526 3.474 ! spec=13C NOESY, no=1465, id=2949
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG23) 2.526 2.526 3.474 ! spec=13C NOESY, no=1465, id=2949
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG22) 2.512 2.512 3.488 ! spec=13C NOESY, no=1468, id=2952
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG21) 2.512 2.512 3.488 ! spec=13C NOESY, no=1468, id=2952
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG23) 2.512 2.512 3.488 ! spec=13C NOESY, no=1468, id=2952
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG22) 2.727 2.727 3.273 ! spec=13C NOESY, no=1469, id=2953
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG21) 2.727 2.727 3.273 ! spec=13C NOESY, no=1469, id=2953
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG23) 2.727 2.727 3.273 ! spec=13C NOESY, no=1469, id=2953
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   15 and name  HD1) 2.271 2.271 3.729 ! spec=13C NOESY, no=1470, id=2954
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   15 and name  HD1) 2.271 2.271 3.729 ! spec=13C NOESY, no=1470, id=2954
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   15 and name  HD1) 2.271 2.271 3.729 ! spec=13C NOESY, no=1470, id=2954
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   60 and name HG22) 2.459 2.459 3.541 ! spec=13C NOESY, no=1472, id=2956
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   60 and name HG21) 2.459 2.459 3.541 ! spec=13C NOESY, no=1472, id=2956
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   60 and name HG23) 2.459 2.459 3.541 ! spec=13C NOESY, no=1472, id=2956
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG22) 2.388 2.388 3.612 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG21) 2.388 2.388 3.612 ! spec=13C NOESY, no=1473, id=2957
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG23) 2.388 2.388 3.612 ! spec=13C NOESY, no=1473, id=2957
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   12 and name  HA1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   12 and name  HA1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   12 and name  HA1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   60 and name   HA) 2.118 2.118 3.882 ! spec=13C NOESY, no=1475, id=2959
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   60 and name   HA) 2.118 2.118 3.882 ! spec=13C NOESY, no=1475, id=2959
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   60 and name   HA) 2.118 2.118 3.882 ! spec=13C NOESY, no=1475, id=2959
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HB2) 2.306 0.638 0.638 ! spec=13C NOESY, no=1477, id=2961
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HB2) 2.306 0.638 0.638 ! spec=13C NOESY, no=1477, id=2961
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HB2) 2.306 0.638 0.638 ! spec=13C NOESY, no=1477, id=2961
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HG2) 2.330 2.330 3.670 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HG2) 2.330 2.330 3.670 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HG2) 2.330 2.330 3.670 ! spec=13C NOESY, no=1478, id=2962
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   60 and name   HB) 2.076 0.517 0.517 ! spec=13C NOESY, no=1479, id=2963
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   60 and name   HB) 2.076 0.517 0.517 ! spec=13C NOESY, no=1479, id=2963
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   60 and name   HB) 2.076 0.517 0.517 ! spec=13C NOESY, no=1479, id=2963
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   60 and name HG11) 2.140 2.140 3.860 ! spec=13C NOESY, no=1480, id=2964
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   60 and name HG11) 2.140 2.140 3.860 ! spec=13C NOESY, no=1480, id=2964
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   60 and name HG11) 2.140 2.140 3.860 ! spec=13C NOESY, no=1480, id=2964
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  119 and name   HN) 3.067 1.129 1.129 ! spec=13C NOESY, no=1482, id=2966
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HD2) 3.159 1.197 1.197 ! spec=13C NOESY, no=1488, id=2972
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  119 and name  HA2) 2.636 0.834 0.834 ! spec=13C NOESY, no=1489, id=2973
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  120 and name  HB1) 3.046 1.113 1.113 ! spec=13C NOESY, no=1491, id=2975
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  120 and name  HG1) 2.636 0.834 0.834 ! spec=13C NOESY, no=1492, id=2976
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  120 and name  HG2) 2.545 0.777 0.777 ! spec=13C NOESY, no=1493, id=2977
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  120 and name  HD2) 3.072 1.132 1.132 ! spec=13C NOESY, no=1494, id=2978
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   89 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=1497, id=2981
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   89 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=1497, id=2981
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   89 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=1497, id=2981
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   99 and name  HE3) 3.086 3.086 2.914 ! spec=13C NOESY, no=1498, id=2982
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   99 and name  HE3) 3.086 3.086 2.914 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   99 and name  HE3) 3.086 3.086 2.914 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name  HD1) 2.573 0.795 0.795 ! spec=13C NOESY, no=1499, id=2983
! violated assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name  HD1) 2.573 0.795 0.795 ! spec=13C NOESY, no=1499, id=2983
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name  HD1) 2.573 0.795 0.795 ! spec=13C NOESY, no=1499, id=2983
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name  HE1) 2.674 2.674 3.326 ! spec=13C NOESY, no=1501, id=2985
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name  HE1) 2.674 2.674 3.326 ! spec=13C NOESY, no=1501, id=2985
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name  HE1) 2.674 2.674 3.326 ! spec=13C NOESY, no=1501, id=2985
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name   HA) 2.535 0.771 0.771 ! spec=13C NOESY, no=1502, id=2986
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name   HA) 2.535 0.771 0.771 ! spec=13C NOESY, no=1502, id=2986
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name   HA) 2.535 0.771 0.771 ! spec=13C NOESY, no=1502, id=2986
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  126 and name  HB2) 2.703 2.703 3.297 ! spec=13C NOESY, no=1505, id=2989
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  126 and name  HB2) 2.703 2.703 3.297 ! spec=13C NOESY, no=1505, id=2989
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  126 and name  HB2) 2.703 2.703 3.297 ! spec=13C NOESY, no=1505, id=2989
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  101 and name   HB) 2.276 0.621 0.621 ! spec=13C NOESY, no=1506, id=2990
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  101 and name   HB) 2.276 0.621 0.621 ! spec=13C NOESY, no=1506, id=2990
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  101 and name   HB) 2.276 0.621 0.621 ! spec=13C NOESY, no=1506, id=2990
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  101 and name HG11) 2.322 0.647 0.647 ! spec=13C NOESY, no=1507, id=2991
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  101 and name HG11) 2.322 0.647 0.647 ! spec=13C NOESY, no=1507, id=2991
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  101 and name HG11) 2.322 0.647 0.647 ! spec=13C NOESY, no=1507, id=2991
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  101 and name HG12) 1.931 0.447 0.447 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  101 and name HG12) 1.931 0.447 0.447 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  101 and name HG12) 1.931 0.447 0.447 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  128 and name HD12) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  128 and name HD11) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  128 and name HD13) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  128 and name HD12) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  128 and name HD11) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  128 and name HD13) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  128 and name HD12) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  128 and name HD11) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  128 and name HD13) 2.114 2.114 3.886 ! spec=13C NOESY, no=1511, id=2995
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name   HN) 2.992 1.074 1.074 ! spec=13C NOESY, no=1512, id=2996
! violated assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name   HN) 2.992 1.074 1.074 ! spec=13C NOESY, no=1512, id=2996
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name   HN) 2.992 1.074 1.074 ! spec=13C NOESY, no=1512, id=2996
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HD12) 2.618 2.618 3.382 ! spec=13C NOESY, no=1518, id=3001
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HD11) 2.618 2.618 3.382 ! spec=13C NOESY, no=1518, id=3001
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HD13) 2.618 2.618 3.382 ! spec=13C NOESY, no=1518, id=3001
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   53 and name   HA) 2.603 2.603 3.397 ! spec=13C NOESY, no=1520, id=3003
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   53 and name   HA) 2.603 2.603 3.397 ! spec=13C NOESY, no=1520, id=3003
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   53 and name   HA) 2.603 2.603 3.397 ! spec=13C NOESY, no=1520, id=3003
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   54 and name   HA) 2.991 2.991 3.009 ! spec=13C NOESY, no=1521, id=3004
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   54 and name   HA) 2.991 2.991 3.009 ! spec=13C NOESY, no=1521, id=3004
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   54 and name   HA) 2.991 2.991 3.009 ! spec=13C NOESY, no=1521, id=3004
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   73 and name   HA) 2.473 2.473 3.527 ! spec=13C NOESY, no=1522, id=3005
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   73 and name   HA) 2.473 2.473 3.527 ! spec=13C NOESY, no=1522, id=3005
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   73 and name   HA) 2.473 2.473 3.527 ! spec=13C NOESY, no=1522, id=3005
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name   HA) 2.634 2.634 3.366 ! spec=13C NOESY, no=1523, id=3006
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name   HA) 2.634 2.634 3.366 ! spec=13C NOESY, no=1523, id=3006
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name   HA) 2.634 2.634 3.366 ! spec=13C NOESY, no=1523, id=3006
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD12) 2.544 2.544 3.456 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD11) 2.544 2.544 3.456 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD13) 2.544 2.544 3.456 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name   HA) 2.271 2.271 3.729 ! spec=13C NOESY, no=1525, id=3008
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name   HA) 2.271 2.271 3.729 ! spec=13C NOESY, no=1525, id=3008
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name   HA) 2.271 2.271 3.729 ! spec=13C NOESY, no=1525, id=3008
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   54 and name  HG2) 2.230 0.597 0.597 ! spec=13C NOESY, no=1526, id=3009
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   54 and name  HG2) 2.230 0.597 0.597 ! spec=13C NOESY, no=1526, id=3009
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   54 and name  HG2) 2.230 0.597 0.597 ! spec=13C NOESY, no=1526, id=3009
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   54 and name  HB2) 2.248 0.607 0.607 ! spec=13C NOESY, no=1527, id=3010
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   54 and name  HB2) 2.248 0.607 0.607 ! spec=13C NOESY, no=1527, id=3010
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   54 and name  HB2) 2.248 0.607 0.607 ! spec=13C NOESY, no=1527, id=3010
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HG2) 2.136 0.547 0.547 ! spec=13C NOESY, no=1528, id=3011
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HG2) 2.136 0.547 0.547 ! spec=13C NOESY, no=1528, id=3011
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HG2) 2.136 0.547 0.547 ! spec=13C NOESY, no=1528, id=3011
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HB2) 2.393 2.393 3.607 ! spec=13C NOESY, no=1529, id=3012
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HB2) 2.393 2.393 3.607 ! spec=13C NOESY, no=1529, id=3012
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HB2) 2.393 2.393 3.607 ! spec=13C NOESY, no=1529, id=3012
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name   HB) 2.201 2.201 3.799 ! spec=13C NOESY, no=1530, id=3013
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name   HB) 2.201 2.201 3.799 ! spec=13C NOESY, no=1530, id=3013
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name   HB) 2.201 2.201 3.799 ! spec=13C NOESY, no=1530, id=3013
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG11) 1.809 1.809 4.191 ! spec=13C NOESY, no=1531, id=3014
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG11) 1.809 1.809 4.191 ! spec=13C NOESY, no=1531, id=3014
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG11) 1.809 1.809 4.191 ! spec=13C NOESY, no=1531, id=3014
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG22) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG21) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG23) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG22) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG21) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG23) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG22) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG21) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG23) 1.911 1.911 4.089 ! spec=13C NOESY, no=1532, id=3015
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG12) 2.041 0.500 0.500 ! spec=13C NOESY, no=1533, id=3016
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG12) 2.041 0.500 0.500 ! spec=13C NOESY, no=1533, id=3016
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG12) 2.041 0.500 0.500 ! spec=13C NOESY, no=1533, id=3016
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HA2) 2.455 0.723 0.723 ! spec=13C NOESY, no=1557, id=3017
assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid   13 and name   HN) 2.734 0.897 0.897 ! spec=13C NOESY, no=1558, id=3018
assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid   15 and name  HB2) 3.111 1.161 1.161 ! spec=13C NOESY, no=1560, id=3020
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   12 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   12 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   12 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name  HA2) 2.694 0.871 0.871 ! spec=13C NOESY, no=1565, id=3025
assign (segid "    " and resid   85 and name  HA2) (segid "    " and resid   85 and name  HA1) 2.383 0.681 0.681 ! spec=13C NOESY, no=1567, id=3027
assign (segid "    " and resid   85 and name  HA2) (segid "    " and resid   84 and name  HB2) 2.787 0.932 0.932 ! spec=13C NOESY, no=1568, id=3028
assign (segid "    " and resid   85 and name  HA2) (segid "    " and resid  107 and name  HB2) 2.941 1.038 1.038 ! spec=13C NOESY, no=1569, id=3029
assign (segid "    " and resid   85 and name  HA2) (segid "    " and resid  107 and name  HB1) 3.035 1.105 1.105 ! spec=13C NOESY, no=1571, id=3031
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HA1) 2.445 0.717 0.717 ! spec=13C NOESY, no=1573, id=3033
assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   13 and name   HN) 2.727 0.892 0.892 ! spec=13C NOESY, no=1574, id=3034
assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   15 and name  HD1) 3.094 3.094 2.906 ! spec=13C NOESY, no=1575, id=3035
assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   12 and name  HA2) 2.362 0.669 0.669 ! spec=13C NOESY, no=1576, id=3036
! violated assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   15 and name  HB2) 3.005 1.084 1.084 ! spec=13C NOESY, no=1577, id=3037
assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid  123 and name   HB) 3.088 1.144 1.144 ! spec=13C NOESY, no=1581, id=3041
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   85 and name  HA1) 3.104 1.156 1.156 ! spec=13C NOESY, no=1582, id=3042
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  107 and name  HB2) 2.993 1.075 1.075 ! spec=13C NOESY, no=1587, id=3047
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   85 and name  HA1) 2.800 0.941 0.941 ! spec=13C NOESY, no=1588, id=3048
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   85 and name  HA1) 2.800 0.941 0.941 ! spec=13C NOESY, no=1588, id=3048
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   85 and name  HA1) 2.800 0.941 0.941 ! spec=13C NOESY, no=1588, id=3048
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG12) 2.411 0.697 0.697 ! spec=13C NOESY, no=1589, id=3049
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG11) 2.411 0.697 0.697 ! spec=13C NOESY, no=1589, id=3049
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG13) 2.411 0.697 0.697 ! spec=13C NOESY, no=1589, id=3049
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name  HA1) 2.718 0.887 0.887 ! spec=13C NOESY, no=1591, id=3051
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name  HB1) 3.203 1.231 1.231 ! spec=13C NOESY, no=1592, id=3052
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name  HB2) 2.853 2.853 3.147 ! spec=13C NOESY, no=1594, id=3054
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name   HG) 2.699 0.874 0.874 ! spec=13C NOESY, no=1595, id=3055
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name HD12) 2.962 1.053 1.053 ! spec=13C NOESY, no=1596, id=3056
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name HD11) 2.962 1.053 1.053 ! spec=13C NOESY, no=1596, id=3056
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name HD13) 2.962 1.053 1.053 ! spec=13C NOESY, no=1596, id=3056
assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name   HA) 3.079 1.138 1.138 ! spec=13C NOESY, no=1597, id=3057
! violated assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD12) 2.897 1.007 1.007 ! spec=13C NOESY, no=1599, id=3059
assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD11) 2.897 1.007 1.007 ! spec=13C NOESY, no=1599, id=3059
assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD13) 2.897 1.007 1.007 ! spec=13C NOESY, no=1599, id=3059
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HD12) 2.316 2.316 3.684 ! spec=13C NOESY, no=1618, id=3060
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HD11) 2.316 2.316 3.684 ! spec=13C NOESY, no=1618, id=3060
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HD13) 2.316 2.316 3.684 ! spec=13C NOESY, no=1618, id=3060
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name HD12) 2.955 2.955 3.045 ! spec=13C NOESY, no=1619, id=3061
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name HD11) 2.955 2.955 3.045 ! spec=13C NOESY, no=1619, id=3061
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name HD13) 2.955 2.955 3.045 ! spec=13C NOESY, no=1619, id=3061
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   38 and name   HN) 2.598 2.598 3.402 ! spec=13C NOESY, no=1620, id=3062
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   38 and name   HN) 2.598 2.598 3.402 ! spec=13C NOESY, no=1620, id=3062
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   38 and name   HN) 2.598 2.598 3.402 ! spec=13C NOESY, no=1620, id=3062
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   37 and name   HN) 2.495 0.747 0.747 ! spec=13C NOESY, no=1621, id=3063
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   37 and name   HN) 2.495 0.747 0.747 ! spec=13C NOESY, no=1621, id=3063
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   37 and name   HN) 2.495 0.747 0.747 ! spec=13C NOESY, no=1621, id=3063
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   99 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=1622, id=3064
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   99 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=1622, id=3064
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   99 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=1622, id=3064
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  100 and name   HA) 2.839 2.839 3.161 ! spec=13C NOESY, no=1623, id=3065
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  100 and name   HA) 2.839 2.839 3.161 ! spec=13C NOESY, no=1623, id=3065
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  100 and name   HA) 2.839 2.839 3.161 ! spec=13C NOESY, no=1623, id=3065
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   37 and name   HA) 2.057 0.508 0.508 ! spec=13C NOESY, no=1626, id=3068
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   37 and name   HA) 2.057 0.508 0.508 ! spec=13C NOESY, no=1626, id=3068
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   37 and name   HA) 2.057 0.508 0.508 ! spec=13C NOESY, no=1626, id=3068
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   36 and name   HA) 2.827 2.827 3.173 ! spec=13C NOESY, no=1628, id=3070
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   36 and name   HA) 2.827 2.827 3.173 ! spec=13C NOESY, no=1628, id=3070
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   36 and name   HA) 2.827 2.827 3.173 ! spec=13C NOESY, no=1628, id=3070
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   35 and name  HE2) 2.116 2.116 3.884 ! spec=13C NOESY, no=1629, id=3071
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   35 and name  HE2) 2.116 2.116 3.884 ! spec=13C NOESY, no=1629, id=3071
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   35 and name  HE2) 2.116 2.116 3.884 ! spec=13C NOESY, no=1629, id=3071
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  100 and name  HB1) 2.394 2.394 3.606 ! spec=13C NOESY, no=1630, id=3072
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  100 and name  HB1) 2.394 2.394 3.606 ! spec=13C NOESY, no=1630, id=3072
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  100 and name  HB1) 2.394 2.394 3.606 ! spec=13C NOESY, no=1630, id=3072
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  100 and name  HB2) 1.884 0.426 0.426 ! spec=13C NOESY, no=1632, id=3074
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  100 and name  HB2) 1.884 0.426 0.426 ! spec=13C NOESY, no=1632, id=3074
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  100 and name  HB2) 1.884 0.426 0.426 ! spec=13C NOESY, no=1632, id=3074
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   37 and name HG12) 1.878 0.423 0.423 ! spec=13C NOESY, no=1633, id=3075
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   37 and name HG12) 1.878 0.423 0.423 ! spec=13C NOESY, no=1633, id=3075
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   37 and name HG12) 1.878 0.423 0.423 ! spec=13C NOESY, no=1633, id=3075
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   98 and name HG21) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   98 and name HG22) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   98 and name HG23) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   98 and name HG21) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   98 and name HG22) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   98 and name HG23) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   98 and name HG21) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   98 and name HG22) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   98 and name HG23) 2.219 2.219 3.781 ! spec=13C NOESY, no=1634, id=3076
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  106 and name  HA1) 2.769 0.920 0.920 ! spec=13C NOESY, no=1652, id=3078
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   72 and name  HA2) 2.157 2.157 3.843 ! spec=13C NOESY, no=1653, id=3079
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   72 and name  HA2) 2.448 2.448 3.552 ! spec=13C NOESY, no=1654, id=3080
assign (segid "    " and resid   72 and name  HA2) (segid "    " and resid   72 and name  HA1) 1.767 0.375 0.375 ! spec=13C NOESY, no=1655, id=3081
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   72 and name  HA1) 2.116 0.537 0.537 ! spec=13C NOESY, no=1656, id=3082
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  110 and name  HA2) 2.558 0.785 0.785 ! spec=13C NOESY, no=1660, id=3086
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  110 and name  HA1) 2.475 0.735 0.735 ! spec=13C NOESY, no=1661, id=3087
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  110 and name  HA1) 2.295 0.632 0.632 ! spec=13C NOESY, no=1665, id=3091
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   23 and name  HB1) 2.947 2.947 3.053 ! spec=13C NOESY, no=1670, id=3096
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HA2) 2.230 0.597 0.597 ! spec=13C NOESY, no=1674, id=3100
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name  HA2) 2.909 1.015 1.015 ! spec=13C NOESY, no=1679, id=3105
! violated assign (segid "    " and resid  110 and name  HA1) (segid "    " and resid  111 and name  HG2) 3.082 1.140 1.140 ! spec=13C NOESY, no=1682, id=3108
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HA1) 2.196 0.579 0.579 ! spec=13C NOESY, no=1685, id=3111
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HA1) 2.511 0.757 0.757 ! spec=13C NOESY, no=1686, id=3112
! violated assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   59 and name   HA) 3.017 3.017 2.983 ! spec=13C NOESY, no=1687, id=3113
assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   24 and name  HA1) 1.921 0.443 0.443 ! spec=13C NOESY, no=1688, id=3114
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HA1) 2.420 0.703 0.703 ! spec=13C NOESY, no=1691, id=3117
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid   65 and name   HZ) 3.250 1.267 1.267 ! spec=13C NOESY, no=1693, id=3119
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid  126 and name   HA) 2.908 1.015 1.015 ! spec=13C NOESY, no=1694, id=3120
assign (segid "    " and resid   57 and name  HA1) (segid "    " and resid   57 and name  HA2) 2.647 0.841 0.841 ! spec=13C NOESY, no=1695, id=3121
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name  HA2) 3.014 3.014 2.986 ! spec=13C NOESY, no=1696, id=3122
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name  HA1) 3.095 3.095 2.905 ! spec=13C NOESY, no=1697, id=3123
assign (segid "    " and resid   96 and name  HA2) (segid "    " and resid   97 and name   HA) 2.709 2.709 3.291 ! spec=13C NOESY, no=1701, id=3127
assign (segid "    " and resid   96 and name  HA1) (segid "    " and resid   97 and name   HA) 2.816 2.816 3.184 ! spec=13C NOESY, no=1710, id=3136
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   62 and name  HA1) 2.103 0.531 0.531 ! spec=13C NOESY, no=1717, id=3143
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   42 and name  HA2) 2.959 1.051 1.051 ! spec=13C NOESY, no=1721, id=3147
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  113 and name   HA) 2.683 2.683 3.317 ! spec=13C NOESY, no=1727, id=3153
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  115 and name  HA2) 2.483 0.740 0.740 ! spec=13C NOESY, no=1728, id=3154
assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  115 and name  HA1) 1.901 0.434 0.434 ! spec=13C NOESY, no=1729, id=3155
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  118 and name HG11) 3.030 1.102 1.102 ! spec=13C NOESY, no=1730, id=3156
assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  115 and name  HA2) 3.085 3.085 2.915 ! spec=13C NOESY, no=1731, id=3157
assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  115 and name  HA2) 3.085 3.085 2.915 ! spec=13C NOESY, no=1731, id=3157
assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  115 and name  HA2) 3.085 3.085 2.915 ! spec=13C NOESY, no=1731, id=3157
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   42 and name  HA1) 2.963 1.054 1.054 ! spec=13C NOESY, no=1732, id=3158
! violated assign (segid "    " and resid  115 and name  HA1) (segid "    " and resid  118 and name HG11) 2.583 0.801 0.801 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  115 and name  HA1) 2.438 0.713 0.713 ! spec=13C NOESY, no=1740, id=3166
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  115 and name  HA1) 2.448 0.719 0.719 ! spec=13C NOESY, no=1741, id=3167
! violated assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  113 and name   HA) 2.767 0.919 0.919 ! spec=13C NOESY, no=1742, id=3168
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name   HN) 2.783 0.929 0.929 ! spec=13C NOESY, no=1746, id=3172
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  119 and name  HA2) 2.657 0.847 0.847 ! spec=13C NOESY, no=1749, id=3175
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  119 and name  HA2) 2.980 1.065 1.065 ! spec=13C NOESY, no=1750, id=3176
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  119 and name  HA1) 2.658 0.848 0.848 ! spec=13C NOESY, no=1752, id=3178
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  120 and name  HD2) 2.594 0.807 0.807 ! spec=13C NOESY, no=1754, id=3180
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name  HA1) 2.795 0.938 0.938 ! spec=13C NOESY, no=1758, id=3184
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid  107 and name HD12) 2.566 2.566 3.434 ! spec=13C NOESY, no=1760, id=3186
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid  107 and name HD11) 2.566 2.566 3.434 ! spec=13C NOESY, no=1760, id=3186
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid  107 and name HD13) 2.566 2.566 3.434 ! spec=13C NOESY, no=1760, id=3186
assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   58 and name  HD1) 2.982 1.067 1.067 ! spec=13C NOESY, no=1761, id=3187
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   58 and name  HD1) 2.721 2.721 3.279 ! spec=13C NOESY, no=1762, id=3188
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   58 and name  HD1) 2.887 1.000 1.000 ! spec=13C NOESY, no=1763, id=3189
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   61 and name   HN) 2.626 2.626 3.374 ! spec=13C NOESY, no=1766, id=3192
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   59 and name   HA) 2.543 2.543 3.457 ! spec=13C NOESY, no=1767, id=3193
! violated assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   58 and name  HD2) 2.821 0.955 0.955 ! spec=13C NOESY, no=1768, id=3194
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HD1) 2.183 0.572 0.572 ! spec=13C NOESY, no=1769, id=3195
assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   92 and name  HB2) 2.645 0.840 0.840 ! spec=13C NOESY, no=1774, id=3200
assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   99 and name  HZ3) 3.094 1.149 1.149 ! spec=13C NOESY, no=1776, id=3202
assign (segid "    " and resid   92 and name  HB2) (segid "    " and resid   99 and name  HZ3) 3.164 1.201 1.201 ! spec=13C NOESY, no=1779, id=3205
! violated assign (segid "    " and resid   92 and name  HB2) (segid "    " and resid   92 and name HD22) 2.485 0.741 0.741 ! spec=13C NOESY, no=1782, id=3208
! violated assign (segid "    " and resid   92 and name  HB2) (segid "    " and resid   92 and name HD21) 2.485 0.741 0.741 ! spec=13C NOESY, no=1782, id=3208
! violated assign (segid "    " and resid   92 and name  HB2) (segid "    " and resid   92 and name HD23) 2.485 0.741 0.741 ! spec=13C NOESY, no=1782, id=3208
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  119 and name  HA2) 2.910 1.016 1.016 ! spec=13C NOESY, no=1786, id=3212
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HA1) 2.594 0.807 0.807 ! spec=13C NOESY, no=1790, id=3216
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HA1) 2.395 0.688 0.688 ! spec=13C NOESY, no=1791, id=3217
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   40 and name  HA1) 3.008 1.086 1.086 ! spec=13C NOESY, no=1792, id=3218
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  112 and name  HD2) 2.685 0.865 0.865 ! spec=13C NOESY, no=1795, id=3221
! violated assign (segid "    " and resid  112 and name  HD2) (segid "    " and resid  111 and name  HD1) 3.197 1.226 1.226 ! spec=13C NOESY, no=1797, id=3223
! violated assign (segid "    " and resid  112 and name  HD2) (segid "    " and resid  111 and name  HB1) 3.084 1.141 1.141 ! spec=13C NOESY, no=1798, id=3224
! violated assign (segid "    " and resid  112 and name  HD2) (segid "    " and resid  112 and name  HB2) 2.033 0.496 0.496 ! spec=13C NOESY, no=1799, id=3225
assign (segid "    " and resid  112 and name  HD2) (segid "    " and resid  112 and name  HG2) 1.868 1.868 4.132 ! spec=13C NOESY, no=1800, id=3226
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HN) 3.052 1.118 1.118 ! spec=13C NOESY, no=1805, id=3231
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.951 1.045 1.045 ! spec=13C NOESY, no=1811, id=3237
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   99 and name  HE3) 2.951 1.045 1.045 ! spec=13C NOESY, no=1811, id=3237
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid  101 and name   HB) 3.051 1.117 1.117 ! spec=13C NOESY, no=1814, id=3240
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid  101 and name   HB) 3.051 1.117 1.117 ! spec=13C NOESY, no=1814, id=3240
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HA2) 2.408 0.696 0.696 ! spec=13C NOESY, no=1815, id=3241
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HA1) 2.344 0.659 0.659 ! spec=13C NOESY, no=1817, id=3243
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HA1) 3.073 1.133 1.133 ! spec=13C NOESY, no=1820, id=3246
assign (segid "    " and resid   46 and name  HA2) (segid "    " and resid   91 and name HE22) 3.104 3.104 2.896 ! spec=13C NOESY, no=1825, id=3251
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB1) 3.203 1.231 1.231 ! spec=13C NOESY, no=1827, id=3252
assign (segid "    " and resid   46 and name  HA1) (segid "    " and resid   47 and name  HE2) 2.638 0.835 0.835 ! spec=13C NOESY, no=1831, id=3256
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name  HD1) 2.858 0.980 0.980 ! spec=13C NOESY, no=1835, id=3260
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  128 and name HG22) 3.152 1.192 1.192 ! spec=13C NOESY, no=1837, id=3262
! violated assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  128 and name HG21) 3.152 1.192 1.192 ! spec=13C NOESY, no=1837, id=3262
! violated assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  128 and name HG23) 3.152 1.192 1.192 ! spec=13C NOESY, no=1837, id=3262
! violated assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   19 and name   HN) 3.216 1.241 1.241 ! spec=13C NOESY, no=1838, id=3263
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid   55 and name  HD1) 2.930 1.030 1.030 ! spec=13C NOESY, no=1842, id=3267
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid  128 and name HD12) 3.012 3.012 2.988 ! spec=13C NOESY, no=1844, id=3269
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid  128 and name HD11) 3.012 3.012 2.988 ! spec=13C NOESY, no=1844, id=3269
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid  128 and name HD13) 3.012 3.012 2.988 ! spec=13C NOESY, no=1844, id=3269
! violated assign (segid "    " and resid  126 and name  HB2) (segid "    " and resid  128 and name HD12) 3.071 1.131 1.131 ! spec=13C NOESY, no=1846, id=3271
! violated assign (segid "    " and resid  126 and name  HB2) (segid "    " and resid  128 and name HD11) 3.071 1.131 1.131 ! spec=13C NOESY, no=1846, id=3271
assign (segid "    " and resid  126 and name  HB2) (segid "    " and resid  128 and name HD13) 3.071 1.131 1.131 ! spec=13C NOESY, no=1846, id=3271
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid  107 and name  HB2) 2.907 2.907 3.093 ! spec=13C NOESY, no=1850, id=3274
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid   88 and name   HN) 3.152 3.152 2.848 ! spec=13C NOESY, no=1851, id=3275
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name  HB1) 2.677 2.677 3.323 ! spec=13C NOESY, no=1856, id=3280
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD22) 2.809 0.947 0.947 ! spec=13C NOESY, no=1857, id=3281
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD21) 2.809 0.947 0.947 ! spec=13C NOESY, no=1857, id=3281
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD23) 2.809 0.947 0.947 ! spec=13C NOESY, no=1857, id=3281
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  103 and name HG12) 2.640 0.836 0.836 ! spec=13C NOESY, no=1872, id=3293
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  103 and name HG11) 2.640 0.836 0.836 ! spec=13C NOESY, no=1872, id=3293
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  103 and name HG13) 2.640 0.836 0.836 ! spec=13C NOESY, no=1872, id=3293
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name  HB1) 3.104 1.156 1.156 ! spec=13C NOESY, no=1873, id=3294
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  107 and name HD12) 2.518 0.761 0.761 ! spec=13C NOESY, no=1874, id=3295
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  107 and name HD11) 2.518 0.761 0.761 ! spec=13C NOESY, no=1874, id=3295
! violated assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid  107 and name HD13) 2.518 0.761 0.761 ! spec=13C NOESY, no=1874, id=3295
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HG22) 2.479 0.737 0.737 ! spec=13C NOESY, no=1877, id=3298
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HG21) 2.479 0.737 0.737 ! spec=13C NOESY, no=1877, id=3298
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HG23) 2.479 0.737 0.737 ! spec=13C NOESY, no=1877, id=3298
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HG12) 2.937 1.035 1.035 ! spec=13C NOESY, no=1878, id=3299
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HD12) 2.550 0.780 0.780 ! spec=13C NOESY, no=1879, id=3300
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HD11) 2.550 0.780 0.780 ! spec=13C NOESY, no=1879, id=3300
! violated assign (segid "    " and resid  128 and name   HB) (segid "    " and resid  128 and name HD13) 2.550 0.780 0.780 ! spec=13C NOESY, no=1879, id=3300
assign (segid "    " and resid   90 and name  HB2) (segid "    " and resid   90 and name HD22) 2.974 1.062 1.062 ! spec=13C NOESY, no=1882, id=3303
assign (segid "    " and resid   90 and name  HB2) (segid "    " and resid   90 and name HD21) 2.974 1.062 1.062 ! spec=13C NOESY, no=1882, id=3303
assign (segid "    " and resid   90 and name  HB2) (segid "    " and resid   90 and name HD23) 2.974 1.062 1.062 ! spec=13C NOESY, no=1882, id=3303
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB2) 2.948 1.043 1.043 ! spec=13C NOESY, no=1884, id=3305
assign (segid "    " and resid  130 and name  HB2) (segid "    " and resid  130 and name HD12) 2.758 0.913 0.913 ! spec=13C NOESY, no=1887, id=3308
assign (segid "    " and resid  130 and name  HB2) (segid "    " and resid  130 and name HD11) 2.758 0.913 0.913 ! spec=13C NOESY, no=1887, id=3308
assign (segid "    " and resid  130 and name  HB2) (segid "    " and resid  130 and name HD13) 2.758 0.913 0.913 ! spec=13C NOESY, no=1887, id=3308
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HB2) 2.449 0.720 0.720 ! spec=13C NOESY, no=1893, id=3311
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid  121 and name HD22) 2.650 0.843 0.843 ! spec=13C NOESY, no=1901, id=3319
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   48 and name   HN) 2.779 0.927 0.927 ! spec=13C NOESY, no=1906, id=3324
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name   HN) 2.754 0.910 0.910 ! spec=13C NOESY, no=1915, id=3333
! violated assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   18 and name  HG2) 2.500 0.750 0.750 ! spec=13C NOESY, no=1917, id=3335
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   38 and name  HB1) 2.404 0.693 0.693 ! spec=13C NOESY, no=1919, id=3337
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HB2) 2.586 0.803 0.803 ! spec=13C NOESY, no=1920, id=3338
! violated assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB1) 2.441 0.715 0.715 ! spec=13C NOESY, no=1929, id=3347
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name  HB2) 2.752 0.909 0.909 ! spec=13C NOESY, no=1933, id=3351
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name  HB2) 2.752 0.909 0.909 ! spec=13C NOESY, no=1933, id=3351
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name  HB2) 2.752 0.909 0.909 ! spec=13C NOESY, no=1933, id=3351
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name  HB2) 2.944 1.040 1.040 ! spec=13C NOESY, no=1938, id=3356
assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   37 and name HD12) 2.988 2.988 3.012 ! spec=13C NOESY, no=1940, id=3357
assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   37 and name HD11) 2.988 2.988 3.012 ! spec=13C NOESY, no=1940, id=3357
assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   37 and name HD13) 2.988 2.988 3.012 ! spec=13C NOESY, no=1940, id=3357
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    4 and name  HE2) 2.634 0.833 0.833 ! spec=13C NOESY, no=1943, id=3360
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name  HB1) 2.582 2.582 3.418 ! spec=13C NOESY, no=1956, id=3371
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name  HB1) 3.030 1.102 1.102 ! spec=13C NOESY, no=1957, id=3372
assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   77 and name  HD1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1958, id=3373
assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   77 and name  HB2) 2.155 0.557 0.557 ! spec=13C NOESY, no=1959, id=3374
assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   77 and name   HA) 2.372 0.675 0.675 ! spec=13C NOESY, no=1962, id=3377
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name  HB1) 3.056 3.056 2.944 ! spec=13C NOESY, no=1963, id=3378
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name  HB1) 3.056 3.056 2.944 ! spec=13C NOESY, no=1963, id=3378
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name  HB1) 3.056 3.056 2.944 ! spec=13C NOESY, no=1963, id=3378
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name  HB2) 2.569 0.792 0.792 ! spec=13C NOESY, no=1964, id=3379
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name  HB2) 3.018 1.093 1.093 ! spec=13C NOESY, no=1965, id=3380
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   77 and name   HA) 2.472 0.733 0.733 ! spec=13C NOESY, no=1967, id=3382
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   82 and name HG12) 3.000 3.000 3.000 ! spec=13C NOESY, no=1970, id=3385
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   82 and name HG11) 3.000 3.000 3.000 ! spec=13C NOESY, no=1970, id=3385
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   82 and name HG13) 3.000 3.000 3.000 ! spec=13C NOESY, no=1970, id=3385
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB1) 2.789 0.933 0.933 ! spec=13C NOESY, no=1971, id=3386
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB1) 2.862 0.983 0.983 ! spec=13C NOESY, no=1972, id=3387
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name  HB1) 2.849 0.974 0.974 ! spec=13C NOESY, no=1973, id=3388
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.910 1.016 1.016 ! spec=13C NOESY, no=1974, id=3389
! violated assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name HD12) 2.616 0.821 0.821 ! spec=13C NOESY, no=1977, id=3392
! violated assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name HD11) 2.616 0.821 0.821 ! spec=13C NOESY, no=1977, id=3392
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name HD13) 2.616 0.821 0.821 ! spec=13C NOESY, no=1977, id=3392
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name  HB1) 2.953 1.046 1.046 ! spec=13C NOESY, no=1981, id=3396
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name   HG) 2.822 0.956 0.956 ! spec=13C NOESY, no=1982, id=3397
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name   HB) 2.649 0.842 0.842 ! spec=13C NOESY, no=1988, id=3403
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name   HB) 2.649 0.842 0.842 ! spec=13C NOESY, no=1988, id=3403
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name   HB) 2.649 0.842 0.842 ! spec=13C NOESY, no=1988, id=3403
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB2) 3.012 1.089 1.089 ! spec=13C NOESY, no=1991, id=3406
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HB2) 2.560 0.787 0.787 ! spec=13C NOESY, no=1995, id=3410
assign (segid "    " and resid  125 and name   HB) (segid "    " and resid  125 and name HG12) 2.555 0.784 0.784 ! spec=13C NOESY, no=1996, id=3411
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD12) 2.597 2.597 3.403 ! spec=13C NOESY, no=1997, id=3412
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD11) 2.597 2.597 3.403 ! spec=13C NOESY, no=1997, id=3412
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD13) 2.597 2.597 3.403 ! spec=13C NOESY, no=1997, id=3412
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HD1) 2.738 0.900 0.900 ! spec=13C NOESY, no=1999, id=3413
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HB2) 2.589 0.804 0.804 ! spec=13C NOESY, no=2001, id=3415
! violated assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid  118 and name HG22) 3.143 1.186 1.186 ! spec=13C NOESY, no=2002, id=3416
! violated assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid  118 and name HG21) 3.143 1.186 1.186 ! spec=13C NOESY, no=2002, id=3416
! violated assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid  118 and name HG23) 3.143 1.186 1.186 ! spec=13C NOESY, no=2002, id=3416
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HB2) 2.224 2.224 3.776 ! spec=13C NOESY, no=2009, id=3423
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN) 2.224 2.224 3.776 ! spec=13C NOESY, no=2009, id=3423
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.072 0.515 0.515 ! spec=13C NOESY, no=2010, id=3424
! violated assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN) 2.072 0.515 0.515 ! spec=13C NOESY, no=2010, id=3424
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    6 and name  HB2) 2.544 2.544 3.456 ! spec=13C NOESY, no=2013, id=3427
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    6 and name  HB1) 2.544 2.544 3.456 ! spec=13C NOESY, no=2013, id=3427
assign (segid "    " and resid  125 and name   HB) (segid "    " and resid  125 and name HG11) 2.528 0.767 0.767 ! spec=13C NOESY, no=2018, id=3432
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB1) 2.555 0.784 0.784 ! spec=13C NOESY, no=2021, id=3435
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HB2) 3.097 1.151 1.151 ! spec=13C NOESY, no=2024, id=3438
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name  HB2) 2.097 0.528 0.528 ! spec=13C NOESY, no=2026, id=3440
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB2) 2.710 2.710 3.290 ! spec=13C NOESY, no=2028, id=3442
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB1) 2.710 2.710 3.290 ! spec=13C NOESY, no=2028, id=3442
assign (segid "    " and resid   41 and name HD22) (segid "    " and resid   41 and name  HB2) 2.374 2.374 3.626 ! spec=13C NOESY, no=2031, id=3445
assign (segid "    " and resid   41 and name HD22) (segid "    " and resid   41 and name  HB1) 2.374 2.374 3.626 ! spec=13C NOESY, no=2031, id=3445
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   15 and name  HB2) 2.995 1.076 1.076 ! spec=13C NOESY, no=2042, id=3456
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   15 and name  HB2) 2.995 1.076 1.076 ! spec=13C NOESY, no=2042, id=3456
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   15 and name  HB2) 2.995 1.076 1.076 ! spec=13C NOESY, no=2042, id=3456
! violated assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1) 2.295 0.632 0.632 ! spec=13C NOESY, no=2044, id=3458
! violated assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB1) 2.232 0.598 0.598 ! spec=13C NOESY, no=2045, id=3459
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HB2) 1.800 0.389 0.389 ! spec=13C NOESY, no=2046, id=3460
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB2) 2.200 2.200 3.800 ! spec=13C NOESY, no=2047, id=3461
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.258 0.612 0.612 ! spec=13C NOESY, no=2048, id=3462
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 2.245 2.245 3.755 ! spec=13C NOESY, no=2050, id=3464
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name  HB2) 2.454 2.454 3.546 ! spec=13C NOESY, no=2051, id=3465
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name  HB1) 2.600 2.600 3.400 ! spec=13C NOESY, no=2055, id=3467
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HA) 2.093 0.525 0.525 ! spec=13C NOESY, no=2056, id=3468
! violated assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid  121 and name HD22) 2.691 2.691 3.309 ! spec=13C NOESY, no=2057, id=3469
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HA) 2.221 2.221 3.779 ! spec=13C NOESY, no=2061, id=3473
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB1) 2.607 0.816 0.816 ! spec=13C NOESY, no=2063, id=3475
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  127 and name   HA) 2.874 0.991 0.991 ! spec=13C NOESY, no=2065, id=3477
! violated assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  102 and name  HE1) 3.009 1.087 1.087 ! spec=13C NOESY, no=2072, id=3484
assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  100 and name   HA) 2.771 0.922 0.922 ! spec=13C NOESY, no=2073, id=3485
assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  127 and name   HA) 3.010 1.087 1.087 ! spec=13C NOESY, no=2074, id=3486
assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  100 and name  HB1) 2.467 0.730 0.730 ! spec=13C NOESY, no=2076, id=3488
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  100 and name  HG2) 2.163 0.561 0.561 ! spec=13C NOESY, no=2077, id=3489
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  131 and name HG11) 2.424 0.705 0.705 ! spec=13C NOESY, no=2084, id=3496
! violated assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid  121 and name  HB1) 2.588 2.588 3.412 ! spec=13C NOESY, no=2089, id=3501
assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  113 and name   HA) 2.831 2.831 3.169 ! spec=13C NOESY, no=2090, id=3502
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  109 and name  HB1) 3.168 1.205 1.205 ! spec=13C NOESY, no=2094, id=3506
assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid   33 and name  HG2) 2.977 2.977 3.023 ! spec=13C NOESY, no=2096, id=3508
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  109 and name  HB1) 3.197 1.226 1.226 ! spec=13C NOESY, no=2098, id=3510
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  109 and name  HB1) 3.197 1.226 1.226 ! spec=13C NOESY, no=2098, id=3510
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  109 and name  HB1) 3.197 1.226 1.226 ! spec=13C NOESY, no=2098, id=3510
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid   16 and name HD12) 2.715 0.885 0.885 ! spec=13C NOESY, no=2099, id=3511
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid   16 and name HD11) 2.715 0.885 0.885 ! spec=13C NOESY, no=2099, id=3511
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid   16 and name HD13) 2.715 0.885 0.885 ! spec=13C NOESY, no=2099, id=3511
assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  102 and name  HD1) 2.693 0.870 0.870 ! spec=13C NOESY, no=2105, id=3517
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   33 and name  HG2) 2.883 0.998 0.998 ! spec=13C NOESY, no=2107, id=3519
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   16 and name HD12) 2.723 0.890 0.890 ! spec=13C NOESY, no=2110, id=3522
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   16 and name HD11) 2.723 0.890 0.890 ! spec=13C NOESY, no=2110, id=3522
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   16 and name HD13) 2.723 0.890 0.890 ! spec=13C NOESY, no=2110, id=3522
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   19 and name  HB1) 2.829 0.960 0.960 ! spec=13C NOESY, no=2116, id=3528
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name  HB2) 2.438 0.714 0.714 ! spec=13C NOESY, no=2117, id=3529
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name HD12) 2.949 2.949 3.051 ! spec=13C NOESY, no=2118, id=3530
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name HD11) 2.949 2.949 3.051 ! spec=13C NOESY, no=2118, id=3530
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name HD13) 2.949 2.949 3.051 ! spec=13C NOESY, no=2118, id=3530
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid  102 and name  HE1) 2.859 0.981 0.981 ! spec=13C NOESY, no=2121, id=3533
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB1) 2.725 0.891 0.891 ! spec=13C NOESY, no=2122, id=3534
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   25 and name   HA) 3.019 1.093 1.093 ! spec=13C NOESY, no=2123, id=3535
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB1) 2.654 0.845 0.845 ! spec=13C NOESY, no=2126, id=3538
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB2) 2.666 0.853 0.853 ! spec=13C NOESY, no=2130, id=3542
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   25 and name   HA) 2.984 1.068 1.068 ! spec=13C NOESY, no=2131, id=3543
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.724 0.890 0.890 ! spec=13C NOESY, no=2134, id=3546
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   19 and name  HB1) 2.785 0.931 0.931 ! spec=13C NOESY, no=2136, id=3548
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HB) 2.917 1.021 1.021 ! spec=13C NOESY, no=2138, id=3550
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG11) 2.771 0.922 0.922 ! spec=13C NOESY, no=2140, id=3552
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HB) 2.817 0.952 0.952 ! spec=13C NOESY, no=2144, id=3556
assign (segid "    " and resid   19 and name HD22) (segid "    " and resid   19 and name  HB2) 2.781 0.928 0.928 ! spec=13C NOESY, no=2146, id=3558
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB2) 2.778 0.926 0.926 ! spec=13C NOESY, no=2148, id=3560
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.576 0.796 0.796 ! spec=13C NOESY, no=2149, id=3561
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid   56 and name   HA) 2.399 0.691 0.691 ! spec=13C NOESY, no=2152, id=3564
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HG2) 2.120 0.539 0.539 ! spec=13C NOESY, no=2153, id=3565
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   56 and name   HB) 3.009 3.009 2.991 ! spec=13C NOESY, no=2154, id=3566
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   56 and name   HB) 3.009 3.009 2.991 ! spec=13C NOESY, no=2154, id=3566
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   56 and name   HB) 3.009 3.009 2.991 ! spec=13C NOESY, no=2154, id=3566
! violated assign (segid "    " and resid   56 and name   HB) (segid "    " and resid   57 and name   HN) 2.905 1.013 1.013 ! spec=13C NOESY, no=2155, id=3567
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   56 and name   HB) 3.010 1.087 1.087 ! spec=13C NOESY, no=2156, id=3568
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name HG12) 2.976 1.062 1.062 ! spec=13C NOESY, no=2161, id=3573
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name HD12) 2.704 2.704 3.296 ! spec=13C NOESY, no=2162, id=3574
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name HD11) 2.704 2.704 3.296 ! spec=13C NOESY, no=2162, id=3574
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name HD13) 2.704 2.704 3.296 ! spec=13C NOESY, no=2162, id=3574
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    8 and name  HB1) 2.685 0.865 0.865 ! spec=13C NOESY, no=2164, id=3576
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    8 and name  HB1) 2.806 0.945 0.945 ! spec=13C NOESY, no=2165, id=3577
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    8 and name  HB2) 2.677 0.860 0.860 ! spec=13C NOESY, no=2170, id=3582
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   37 and name   HA) 2.836 0.965 0.965 ! spec=13C NOESY, no=2173, id=3585
! violated assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   98 and name HG21) 2.582 0.800 0.800 ! spec=13C NOESY, no=2174, id=3586
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   98 and name HG22) 2.582 0.800 0.800 ! spec=13C NOESY, no=2174, id=3586
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   98 and name HG23) 2.582 0.800 0.800 ! spec=13C NOESY, no=2174, id=3586
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  121 and name HD22) 2.821 0.955 0.955 ! spec=13C NOESY, no=2182, id=3594
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    8 and name  HB2) 2.776 2.776 3.224 ! spec=13C NOESY, no=2184, id=3596
! violated assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid  114 and name   HN) 2.592 2.592 3.408 ! spec=13C NOESY, no=2189, id=3601
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid  122 and name   HA) 2.788 0.933 0.933 ! spec=13C NOESY, no=2190, id=3602
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HG1) 2.185 0.573 0.573 ! spec=13C NOESY, no=2196, id=3608
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG1) 2.256 0.611 0.611 ! spec=13C NOESY, no=2198, id=3610
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   10 and name   HA) 2.675 0.859 0.859 ! spec=13C NOESY, no=2199, id=3611
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HG2) 2.257 0.611 0.611 ! spec=13C NOESY, no=2202, id=3614
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HG2) 1.734 0.361 0.361 ! spec=13C NOESY, no=2204, id=3616
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  111 and name   HA) 2.942 1.039 1.039 ! spec=13C NOESY, no=2206, id=3618
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    5 and name  HB2) 2.889 1.002 1.002 ! spec=13C NOESY, no=2210, id=3622
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    5 and name  HB1) 2.889 1.002 1.002 ! spec=13C NOESY, no=2210, id=3622
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    5 and name  HB3) 2.889 1.002 1.002 ! spec=13C NOESY, no=2210, id=3622
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  121 and name  HB2) 2.616 0.821 0.821 ! spec=13C NOESY, no=2216, id=3628
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   13 and name  HB2) 2.092 0.525 0.525 ! spec=13C NOESY, no=2217, id=3629
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid    9 and name  HG2) 2.730 0.894 0.894 ! spec=13C NOESY, no=2219, id=3631
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name   HA) 2.624 0.826 0.826 ! spec=13C NOESY, no=2228, id=3640
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name   HA) 2.599 0.810 0.810 ! spec=13C NOESY, no=2234, id=3646
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   74 and name   HA) 2.632 0.831 0.831 ! spec=13C NOESY, no=2235, id=3647
! violated assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name  HG2) 3.014 1.090 1.090 ! spec=13C NOESY, no=2237, id=3649
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   55 and name   HA) 3.169 1.205 1.205 ! spec=13C NOESY, no=2238, id=3650
! violated assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   56 and name   HA) 2.452 0.721 0.721 ! spec=13C NOESY, no=2239, id=3651
assign (segid "    " and resid  122 and name  HG1) (segid "    " and resid  119 and name   HN) 3.154 1.194 1.194 ! spec=13C NOESY, no=2240, id=3652
! violated assign (segid "    " and resid  122 and name  HG1) (segid "    " and resid  124 and name HD12) 2.756 0.912 0.912 ! spec=13C NOESY, no=2244, id=3656
! violated assign (segid "    " and resid  122 and name  HG1) (segid "    " and resid  124 and name HD11) 2.756 0.912 0.912 ! spec=13C NOESY, no=2244, id=3656
! violated assign (segid "    " and resid  122 and name  HG1) (segid "    " and resid  124 and name HD13) 2.756 0.912 0.912 ! spec=13C NOESY, no=2244, id=3656
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  122 and name  HG2) 3.150 1.191 1.191 ! spec=13C NOESY, no=2246, id=3658
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  122 and name  HG2) 3.232 1.253 1.253 ! spec=13C NOESY, no=2247, id=3659
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid   59 and name   HA) 2.771 2.771 3.229 ! spec=13C NOESY, no=2248, id=3660
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  124 and name HD12) 2.816 0.952 0.952 ! spec=13C NOESY, no=2250, id=3662
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  124 and name HD11) 2.816 0.952 0.952 ! spec=13C NOESY, no=2250, id=3662
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  124 and name HD13) 2.816 0.952 0.952 ! spec=13C NOESY, no=2250, id=3662
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name   HB) 2.365 0.671 0.671 ! spec=13C NOESY, no=2251, id=3663
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   75 and name   HA) 2.328 2.328 3.672 ! spec=13C NOESY, no=2253, id=3665
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   76 and name   HB) 2.849 2.849 3.151 ! spec=13C NOESY, no=2256, id=3668
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HG1) 2.228 0.596 0.596 ! spec=13C NOESY, no=2258, id=3670
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name   HA) 2.969 1.057 1.057 ! spec=13C NOESY, no=2259, id=3671
! violated assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    4 and name  HE2) 2.644 0.839 0.839 ! spec=13C NOESY, no=2261, id=3673
assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   91 and name  HG2) 1.955 0.459 0.459 ! spec=13C NOESY, no=2263, id=3675
assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   91 and name  HB2) 2.437 0.713 0.713 ! spec=13C NOESY, no=2264, id=3676
! violated assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    8 and name   HN) 2.673 0.858 0.858 ! spec=13C NOESY, no=2267, id=3679
! violated assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid  131 and name HG11) 2.475 0.735 0.735 ! spec=13C NOESY, no=2270, id=3682
! violated assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2) 2.287 0.627 0.627 ! spec=13C NOESY, no=2271, id=3683
assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   91 and name HE22) 2.834 0.964 0.964 ! spec=13C NOESY, no=2275, id=3687
assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   91 and name HE21) 2.935 1.034 1.034 ! spec=13C NOESY, no=2276, id=3688
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name   HA) 2.600 0.811 0.811 ! spec=13C NOESY, no=2283, id=3695
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG22) 2.368 0.673 0.673 ! spec=13C NOESY, no=2284, id=3696
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG21) 2.368 0.673 0.673 ! spec=13C NOESY, no=2284, id=3696
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG23) 2.368 0.673 0.673 ! spec=13C NOESY, no=2284, id=3696
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG12) 2.313 0.642 0.642 ! spec=13C NOESY, no=2285, id=3697
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG11) 2.313 0.642 0.642 ! spec=13C NOESY, no=2285, id=3697
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   53 and name HG13) 2.313 0.642 0.642 ! spec=13C NOESY, no=2285, id=3697
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid  128 and name HG22) 2.684 0.865 0.865 ! spec=13C NOESY, no=2287, id=3699
! violated assign (segid "    " and resid   53 and name   HB) (segid "    " and resid  128 and name HG21) 2.684 0.865 0.865 ! spec=13C NOESY, no=2287, id=3699
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid  128 and name HG23) 2.684 0.865 0.865 ! spec=13C NOESY, no=2287, id=3699
! violated assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HG1) 2.591 0.806 0.806 ! spec=13C NOESY, no=2295, id=3707
! violated assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HG1) 2.591 0.806 0.806 ! spec=13C NOESY, no=2295, id=3707
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HG1) 2.591 0.806 0.806 ! spec=13C NOESY, no=2295, id=3707
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HD12) 2.630 0.830 0.830 ! spec=13C NOESY, no=2296, id=3708
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HD11) 2.630 0.830 0.830 ! spec=13C NOESY, no=2296, id=3708
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HD13) 2.630 0.830 0.830 ! spec=13C NOESY, no=2296, id=3708
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name   HB) 2.741 0.901 0.901 ! spec=13C NOESY, no=2303, id=3715
assign (segid "    " and resid   91 and name  HG2) (segid "    " and resid   91 and name HE21) 2.930 1.030 1.030 ! spec=13C NOESY, no=2304, id=3716
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name  HG2) 2.713 0.883 0.883 ! spec=13C NOESY, no=2305, id=3717
assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  114 and name   HN) 3.050 3.050 2.950 ! spec=13C NOESY, no=2310, id=3722
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  118 and name   HA) 2.545 0.777 0.777 ! spec=13C NOESY, no=2311, id=3723
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name  HG2) 2.903 2.903 3.097 ! spec=13C NOESY, no=2313, id=3725
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid   59 and name HD22) 2.602 2.602 3.398 ! spec=13C NOESY, no=2315, id=3727
assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid   59 and name HD21) 2.602 2.602 3.398 ! spec=13C NOESY, no=2315, id=3727
assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid   59 and name HD23) 2.602 2.602 3.398 ! spec=13C NOESY, no=2315, id=3727
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name   HA) 2.430 0.709 0.709 ! spec=13C NOESY, no=2319, id=3731
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   49 and name  HB2) 3.204 3.204 2.796 ! spec=13C NOESY, no=2320, id=3732
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name   HB) 2.755 0.911 0.911 ! spec=13C NOESY, no=2324, id=3736
assign (segid "    " and resid   52 and name   HB) (segid "    " and resid   52 and name   HA) 3.075 1.134 1.134 ! spec=13C NOESY, no=2325, id=3737
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid   52 and name   HB) 2.992 1.074 1.074 ! spec=13C NOESY, no=2327, id=3739
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.958 1.050 1.050 ! spec=13C NOESY, no=2332, id=3744
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB2) 2.754 0.910 0.910 ! spec=13C NOESY, no=2333, id=3745
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name   HA) 2.788 0.933 0.933 ! spec=13C NOESY, no=2334, id=3746
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   64 and name   HA) 2.784 0.930 0.930 ! spec=13C NOESY, no=2335, id=3747
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HB2) 2.793 0.936 0.936 ! spec=13C NOESY, no=2336, id=3748
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid   93 and name  HB2) 2.324 0.648 0.648 ! spec=13C NOESY, no=2338, id=3750
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HB) 2.915 1.019 1.019 ! spec=13C NOESY, no=2339, id=3751
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name   HA) 2.542 2.542 3.458 ! spec=13C NOESY, no=2341, id=3753
assign (segid "    " and resid   71 and name HG21) (segid "    " and resid   71 and name   HB) 1.942 1.942 4.058 ! spec=13C NOESY, no=2343, id=3755
assign (segid "    " and resid   71 and name HG22) (segid "    " and resid   71 and name   HB) 1.942 1.942 4.058 ! spec=13C NOESY, no=2343, id=3755
assign (segid "    " and resid   71 and name HG23) (segid "    " and resid   71 and name   HB) 1.942 1.942 4.058 ! spec=13C NOESY, no=2343, id=3755
assign (segid "    " and resid   98 and name   HB) (segid "    " and resid   97 and name   HA) 2.556 2.556 3.444 ! spec=13C NOESY, no=2346, id=3758
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   98 and name   HB) 2.814 0.951 0.951 ! spec=13C NOESY, no=2347, id=3759
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   98 and name   HB) 2.837 0.966 0.966 ! spec=13C NOESY, no=2350, id=3762
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG12) 2.765 0.918 0.918 ! spec=13C NOESY, no=2353, id=3765
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG11) 2.765 0.918 0.918 ! spec=13C NOESY, no=2353, id=3765
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG13) 2.765 0.918 0.918 ! spec=13C NOESY, no=2353, id=3765
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG22) 2.574 0.795 0.795 ! spec=13C NOESY, no=2355, id=3767
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG21) 2.574 0.795 0.795 ! spec=13C NOESY, no=2355, id=3767
assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   82 and name HG23) 2.574 0.795 0.795 ! spec=13C NOESY, no=2355, id=3767
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG22) 2.698 2.698 3.302 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG21) 2.698 2.698 3.302 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG23) 2.698 2.698 3.302 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid   93 and name   HA) 2.597 0.809 0.809 ! spec=13C NOESY, no=2358, id=3770
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   93 and name  HB2) 2.634 0.833 0.833 ! spec=13C NOESY, no=2362, id=3774
assign (segid "    " and resid   93 and name  HB2) (segid "    " and resid   93 and name  HG1) 2.393 0.687 0.687 ! spec=13C NOESY, no=2364, id=3776
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   93 and name  HB2) 2.999 1.080 1.080 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   93 and name  HB2) 2.999 1.080 1.080 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   93 and name  HB2) 2.999 1.080 1.080 ! spec=13C NOESY, no=2365, id=3777
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   58 and name   HA) 3.066 3.066 2.934 ! spec=13C NOESY, no=2368, id=3780
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid  123 and name   HA) 3.036 1.106 1.106 ! spec=13C NOESY, no=2369, id=3781
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   12 and name  HA2) 2.741 0.902 0.902 ! spec=13C NOESY, no=2370, id=3782
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid  123 and name   HB) 2.804 0.944 0.944 ! spec=13C NOESY, no=2372, id=3784
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid  123 and name   HB) 2.804 0.944 0.944 ! spec=13C NOESY, no=2372, id=3784
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid  123 and name   HB) 2.804 0.944 0.944 ! spec=13C NOESY, no=2372, id=3784
assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid   99 and name  HE3) 2.995 1.076 1.076 ! spec=13C NOESY, no=2374, id=3786
assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid   99 and name  HB2) 2.636 0.834 0.834 ! spec=13C NOESY, no=2376, id=3788
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name  HB2) 2.690 0.868 0.868 ! spec=13C NOESY, no=2379, id=3791
assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.994 1.075 1.075 ! spec=13C NOESY, no=2380, id=3792
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   80 and name   HN) 2.646 0.840 0.840 ! spec=13C NOESY, no=2389, id=3800
assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   78 and name  HB1) 2.291 0.630 0.630 ! spec=13C NOESY, no=2395, id=3806
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name  HG1) 2.381 0.681 0.681 ! spec=13C NOESY, no=2402, id=3813
assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   78 and name   HA) 2.454 0.723 0.723 ! spec=13C NOESY, no=2404, id=3815
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   78 and name  HB1) 2.793 0.936 0.936 ! spec=13C NOESY, no=2413, id=3824
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name   HB) 2.639 0.836 0.836 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name   HB) 2.639 0.836 0.836 ! spec=13C NOESY, no=2422, id=3832
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name   HB) 2.639 0.836 0.836 ! spec=13C NOESY, no=2422, id=3832
assign (segid "    " and resid   51 and name   HB) (segid "    " and resid   52 and name   HN) 2.742 2.742 3.258 ! spec=13C NOESY, no=2423, id=3833
assign (segid "    " and resid   51 and name   HB) (segid "    " and resid  133 and name   HA) 3.114 1.164 1.164 ! spec=13C NOESY, no=2425, id=3835
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  134 and name  HB1) 2.456 0.724 0.724 ! spec=13C NOESY, no=2428, id=3838
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HB1) 2.733 0.896 0.896 ! spec=13C NOESY, no=2429, id=3839
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  134 and name  HB1) 2.351 0.664 0.664 ! spec=13C NOESY, no=2430, id=3840
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  134 and name  HB1) 2.393 0.687 0.687 ! spec=13C NOESY, no=2431, id=3841
assign (segid "    " and resid  134 and name  HB1) (segid "    " and resid  134 and name  HB2) 1.888 0.428 0.428 ! spec=13C NOESY, no=2432, id=3842
assign (segid "    " and resid  134 and name  HB1) (segid "    " and resid  134 and name  HG2) 2.170 2.170 3.830 ! spec=13C NOESY, no=2433, id=3843
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid  134 and name  HB1) 2.545 0.777 0.777 ! spec=13C NOESY, no=2434, id=3844
! violated assign (segid "    " and resid   50 and name HG22) (segid "    " and resid  134 and name  HB1) 2.545 0.777 0.777 ! spec=13C NOESY, no=2434, id=3844
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid  134 and name  HB1) 2.545 0.777 0.777 ! spec=13C NOESY, no=2434, id=3844
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  134 and name  HB2) 2.429 0.708 0.708 ! spec=13C NOESY, no=2435, id=3845
assign (segid "    " and resid  134 and name  HB2) (segid "    " and resid   50 and name   HN) 2.971 1.060 1.060 ! spec=13C NOESY, no=2437, id=3847
assign (segid "    " and resid  134 and name  HB2) (segid "    " and resid   50 and name   HA) 2.925 2.925 3.075 ! spec=13C NOESY, no=2438, id=3848
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  134 and name  HB2) 2.247 0.606 0.606 ! spec=13C NOESY, no=2439, id=3849
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  134 and name  HB2) 2.462 0.727 0.727 ! spec=13C NOESY, no=2440, id=3850
assign (segid "    " and resid  134 and name  HB2) (segid "    " and resid  134 and name  HG2) 2.109 0.534 0.534 ! spec=13C NOESY, no=2441, id=3851
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid  134 and name  HB2) 2.584 0.802 0.802 ! spec=13C NOESY, no=2442, id=3852
! violated assign (segid "    " and resid   50 and name HG22) (segid "    " and resid  134 and name  HB2) 2.584 0.802 0.802 ! spec=13C NOESY, no=2442, id=3852
assign (segid "    " and resid   50 and name HG23) (segid "    " and resid  134 and name  HB2) 2.584 0.802 0.802 ! spec=13C NOESY, no=2442, id=3852
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name   HA) 2.457 2.457 3.543 ! spec=13C NOESY, no=2444, id=3854
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   63 and name   HA) 2.695 0.872 0.872 ! spec=13C NOESY, no=2445, id=3855
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD22) 2.488 0.743 0.743 ! spec=13C NOESY, no=2447, id=3857
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD21) 2.488 0.743 0.743 ! spec=13C NOESY, no=2447, id=3857
! violated assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD23) 2.488 0.743 0.743 ! spec=13C NOESY, no=2447, id=3857
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name  HB2) 2.840 0.968 0.968 ! spec=13C NOESY, no=2453, id=3863
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   87 and name   HB) 2.845 2.845 3.155 ! spec=13C NOESY, no=2455, id=3865
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   87 and name   HB) 2.845 2.845 3.155 ! spec=13C NOESY, no=2455, id=3865
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   87 and name   HB) 2.845 2.845 3.155 ! spec=13C NOESY, no=2455, id=3865
assign (segid "    " and resid   87 and name   HB) (segid "    " and resid   88 and name   HN) 2.642 0.837 0.837 ! spec=13C NOESY, no=2457, id=3867
! violated assign (segid "    " and resid   87 and name   HB) (segid "    " and resid   84 and name  HB1) 3.149 1.190 1.190 ! spec=13C NOESY, no=2458, id=3868
assign (segid "    " and resid  127 and name  HB1) (segid "    " and resid  128 and name   HN) 3.091 1.146 1.146 ! spec=13C NOESY, no=2459, id=3869
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name  HB1) 2.831 0.962 0.962 ! spec=13C NOESY, no=2460, id=3870
! violated assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HB1) 2.936 1.034 1.034 ! spec=13C NOESY, no=2461, id=3871
assign (segid "    " and resid  127 and name  HB1) (segid "    " and resid  127 and name  HG2) 2.433 0.710 0.710 ! spec=13C NOESY, no=2462, id=3872
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   73 and name  HB1) 2.533 2.533 3.467 ! spec=13C NOESY, no=2463, id=3873
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   73 and name  HB1) 2.505 2.505 3.495 ! spec=13C NOESY, no=2464, id=3874
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name  HB2) 3.008 1.086 1.086 ! spec=13C NOESY, no=2465, id=3875
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name  HB2) 2.822 0.956 0.956 ! spec=13C NOESY, no=2466, id=3876
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB1) 2.423 2.423 3.577 ! spec=13C NOESY, no=2468, id=3878
assign (segid "    " and resid  127 and name  HB2) (segid "    " and resid  127 and name   HA) 2.951 1.045 1.045 ! spec=13C NOESY, no=2469, id=3879
assign (segid "    " and resid   73 and name  HB1) (segid "    " and resid   73 and name   HA) 2.262 0.614 0.614 ! spec=13C NOESY, no=2470, id=3880
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HB2) 2.930 1.030 1.030 ! spec=13C NOESY, no=2471, id=3881
assign (segid "    " and resid   73 and name  HB1) (segid "    " and resid   73 and name  HB2) 1.706 0.349 0.349 ! spec=13C NOESY, no=2472, id=3882
assign (segid "    " and resid   73 and name  HB2) (segid "    " and resid   73 and name   HA) 2.367 0.672 0.672 ! spec=13C NOESY, no=2475, id=3885
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HB2) 2.933 1.033 1.033 ! spec=13C NOESY, no=2476, id=3886
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   73 and name  HB2) 2.578 2.578 3.422 ! spec=13C NOESY, no=2478, id=3888
assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name  HB2) 2.042 2.042 3.958 ! spec=13C NOESY, no=2480, id=3890
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HB) 2.603 2.603 3.397 ! spec=13C NOESY, no=2481, id=3891
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  103 and name   HB) 2.975 1.062 1.062 ! spec=13C NOESY, no=2483, id=3893
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  103 and name   HB) 2.973 1.061 1.061 ! spec=13C NOESY, no=2484, id=3894
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD22) 3.030 1.102 1.102 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD21) 3.030 1.102 1.102 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD23) 3.030 1.102 1.102 ! spec=13C NOESY, no=2485, id=3895
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  103 and name HG12) 2.263 0.615 0.615 ! spec=13C NOESY, no=2487, id=3897
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  103 and name HG11) 2.263 0.615 0.615 ! spec=13C NOESY, no=2487, id=3897
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  103 and name HG13) 2.263 0.615 0.615 ! spec=13C NOESY, no=2487, id=3897
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   55 and name   HA) 3.075 1.134 1.134 ! spec=13C NOESY, no=2491, id=3901
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   56 and name   HA) 2.607 2.607 3.393 ! spec=13C NOESY, no=2492, id=3902
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   68 and name   HB) 2.312 0.641 0.641 ! spec=13C NOESY, no=2493, id=3903
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   68 and name   HB) 2.312 0.641 0.641 ! spec=13C NOESY, no=2493, id=3903
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   68 and name   HB) 2.312 0.641 0.641 ! spec=13C NOESY, no=2493, id=3903
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HB) 2.267 0.617 0.617 ! spec=13C NOESY, no=2494, id=3904
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HB) 2.444 0.717 0.717 ! spec=13C NOESY, no=2495, id=3905
assign (segid "    " and resid   17 and name HG21) (segid "    " and resid   17 and name   HB) 2.081 0.520 0.520 ! spec=13C NOESY, no=2499, id=3909
! violated assign (segid "    " and resid   17 and name HG22) (segid "    " and resid   17 and name   HB) 2.081 0.520 0.520 ! spec=13C NOESY, no=2499, id=3909
assign (segid "    " and resid   17 and name HG23) (segid "    " and resid   17 and name   HB) 2.081 0.520 0.520 ! spec=13C NOESY, no=2499, id=3909
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   68 and name   HA) 2.501 0.751 0.751 ! spec=13C NOESY, no=2501, id=3911
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   69 and name  HB1) 3.252 1.269 1.269 ! spec=13C NOESY, no=2502, id=3912
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HG1) 3.244 3.244 2.756 ! spec=13C NOESY, no=2503, id=3913
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   33 and name  HG1) 2.886 0.999 0.999 ! spec=13C NOESY, no=2505, id=3915
assign (segid "    " and resid   33 and name  HG1) (segid "    " and resid   33 and name  HG2) 2.490 0.744 0.744 ! spec=13C NOESY, no=2506, id=3916
assign (segid "    " and resid   33 and name  HG1) (segid "    " and resid   33 and name   HN) 3.073 1.133 1.133 ! spec=13C NOESY, no=2508, id=3918
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   33 and name  HG1) 2.923 1.026 1.026 ! spec=13C NOESY, no=2509, id=3919
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   33 and name  HG2) 2.952 1.046 1.046 ! spec=13C NOESY, no=2511, id=3921
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   33 and name  HG2) 2.961 1.052 1.052 ! spec=13C NOESY, no=2512, id=3922
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  100 and name   HA) 2.868 0.987 0.987 ! spec=13C NOESY, no=2517, id=3927
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HB) 2.243 0.604 0.604 ! spec=13C NOESY, no=2518, id=3928
assign (segid "    " and resid   33 and name  HG1) (segid "    " and resid   33 and name  HB2) 2.780 0.927 0.927 ! spec=13C NOESY, no=2520, id=3930
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name  HG1) 2.634 0.832 0.832 ! spec=13C NOESY, no=2521, id=3931
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB1) 3.078 1.137 1.137 ! spec=13C NOESY, no=2524, id=3934
! violated assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid  114 and name   HN) 2.808 2.808 3.192 ! spec=13C NOESY, no=2527, id=3937
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  131 and name HG11) 2.058 2.058 3.942 ! spec=13C NOESY, no=2534, id=3944
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HB2) 2.274 0.620 0.620 ! spec=13C NOESY, no=2537, id=3947
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HB2) 2.553 0.782 0.782 ! spec=13C NOESY, no=2539, id=3949
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   49 and name   HN) 2.647 0.841 0.841 ! spec=13C NOESY, no=2553, id=3963
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   75 and name   HN) 2.527 0.766 0.766 ! spec=13C NOESY, no=2557, id=3967
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   74 and name   HA) 2.374 0.676 0.676 ! spec=13C NOESY, no=2558, id=3968
assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid  120 and name  HB2) 2.269 0.618 0.618 ! spec=13C NOESY, no=2564, id=3974
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name  HB1) 2.820 0.955 0.955 ! spec=13C NOESY, no=2567, id=3976
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name  HB1) 2.972 1.060 1.060 ! spec=13C NOESY, no=2568, id=3977
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  104 and name  HB1) 3.048 1.115 1.115 ! spec=13C NOESY, no=2569, id=3978
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HG2) 2.414 0.699 0.699 ! spec=13C NOESY, no=2572, id=3981
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   44 and name  HD2) 2.901 1.010 1.010 ! spec=13C NOESY, no=2574, id=3983
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   44 and name  HE2) 3.127 1.173 1.173 ! spec=13C NOESY, no=2584, id=3993
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   44 and name  HE1) 3.127 1.173 1.173 ! spec=13C NOESY, no=2584, id=3993
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HG2) 2.512 0.757 0.757 ! spec=13C NOESY, no=2586, id=3995
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HB2) 2.300 0.635 0.635 ! spec=13C NOESY, no=2587, id=3996
assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid  120 and name  HD1) 2.920 1.024 1.024 ! spec=13C NOESY, no=2590, id=3999
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HB) 2.066 0.512 0.512 ! spec=13C NOESY, no=2591, id=4000
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name  HB2) 2.566 0.790 0.790 ! spec=13C NOESY, no=2608, id=4017
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   45 and name  HB2) 2.669 0.855 0.855 ! spec=13C NOESY, no=2609, id=4018
assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB2) 2.481 0.739 0.739 ! spec=13C NOESY, no=2622, id=4031
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   47 and name  HB2) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   47 and name  HB1) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   47 and name  HB2) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   47 and name  HB1) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   47 and name  HB2) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   47 and name  HB1) 2.899 1.009 1.009 ! spec=13C NOESY, no=2625, id=4034
! violated assign (segid "    " and resid  114 and name   HB) (segid "    " and resid  118 and name HD12) 3.117 1.166 1.166 ! spec=13C NOESY, no=2630, id=4039
! violated assign (segid "    " and resid  114 and name   HB) (segid "    " and resid  118 and name HD11) 3.117 1.166 1.166 ! spec=13C NOESY, no=2630, id=4039
! violated assign (segid "    " and resid  114 and name   HB) (segid "    " and resid  118 and name HD13) 3.117 1.166 1.166 ! spec=13C NOESY, no=2630, id=4039
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  120 and name  HB2) 2.792 0.935 0.935 ! spec=13C NOESY, no=2632, id=4041
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name  HB2) 2.370 0.674 0.674 ! spec=13C NOESY, no=2634, id=4043
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name  HB2) 2.945 1.041 1.041 ! spec=13C NOESY, no=2636, id=4045
assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   94 and name   HA) 2.675 0.859 0.859 ! spec=13C NOESY, no=2638, id=4047
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   94 and name  HB2) 2.980 1.065 1.065 ! spec=13C NOESY, no=2641, id=4050
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HB) 2.492 0.745 0.745 ! spec=13C NOESY, no=2647, id=4056
assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HB) 2.282 0.625 0.625 ! spec=13C NOESY, no=2651, id=4060
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 2.282 0.625 0.625 ! spec=13C NOESY, no=2651, id=4060
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HB) 2.282 0.625 0.625 ! spec=13C NOESY, no=2651, id=4060
assign (segid "    " and resid   87 and name   HB) (segid "    " and resid   87 and name   HA) 2.535 0.771 0.771 ! spec=13C NOESY, no=2656, id=4065
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   79 and name   HB) 3.202 1.231 1.231 ! spec=13C NOESY, no=2657, id=4066
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   87 and name   HA) 2.284 0.626 0.626 ! spec=13C NOESY, no=2659, id=4068
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   87 and name   HA) 2.284 0.626 0.626 ! spec=13C NOESY, no=2659, id=4068
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   87 and name   HA) 2.284 0.626 0.626 ! spec=13C NOESY, no=2659, id=4068
assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name HD12) 2.731 2.731 3.269 ! spec=13C NOESY, no=2660, id=4069
assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name HD11) 2.731 2.731 3.269 ! spec=13C NOESY, no=2660, id=4069
assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name HD13) 2.731 2.731 3.269 ! spec=13C NOESY, no=2660, id=4069
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name   HA) 2.147 0.553 0.553 ! spec=13C NOESY, no=2666, id=4075
assign (segid "    " and resid   70 and name  HB2) (segid "    " and resid   67 and name  HB2) 2.687 0.867 0.867 ! spec=13C NOESY, no=2672, id=4081
! violated assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB2) 2.582 0.800 0.800 ! spec=13C NOESY, no=2673, id=4082
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HB1) 2.876 0.993 0.993 ! spec=13C NOESY, no=2681, id=4090
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name   HA) 3.047 1.114 1.114 ! spec=13C NOESY, no=2683, id=4092
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HB2) 2.895 1.006 1.006 ! spec=13C NOESY, no=2684, id=4093
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name   HA) 2.571 0.793 0.793 ! spec=13C NOESY, no=2686, id=4094
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name   HA) 3.255 1.271 1.271 ! spec=13C NOESY, no=2687, id=4095
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name   HA) 2.946 1.042 1.042 ! spec=13C NOESY, no=2688, id=4096
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   77 and name  HD1) 2.899 1.008 1.008 ! spec=13C NOESY, no=2689, id=4097
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   82 and name   HN) 3.238 1.258 1.258 ! spec=13C NOESY, no=2690, id=4098
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   78 and name   HA) 3.155 1.194 1.194 ! spec=13C NOESY, no=2691, id=4099
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   87 and name   HA) 3.100 1.154 1.154 ! spec=13C NOESY, no=2693, id=4101
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name   HB) 2.541 0.775 0.775 ! spec=13C NOESY, no=2694, id=4102
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   90 and name  HB1) 3.235 1.256 1.256 ! spec=13C NOESY, no=2695, id=4103
! violated assign (segid "    " and resid  111 and name  HB2) (segid "    " and resid  121 and name HD22) 2.172 0.566 0.566 ! spec=13C NOESY, no=2705, id=4113
! violated assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid   63 and name   HB) 2.480 0.738 0.738 ! spec=13C NOESY, no=2706, id=4114
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 2.540 0.774 0.774 ! spec=13C NOESY, no=2710, id=4118
! violated assign (segid "    " and resid  114 and name   HB) (segid "    " and resid  118 and name HG11) 2.278 0.623 0.623 ! spec=13C NOESY, no=2714, id=4122
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   91 and name  HB1) 2.194 0.578 0.578 ! spec=13C NOESY, no=2728, id=4128
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HB1) 2.641 0.837 0.837 ! spec=13C NOESY, no=2729, id=4129
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HG1) 2.281 0.625 0.625 ! spec=13C NOESY, no=2730, id=4130
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HB2) 2.047 0.503 0.503 ! spec=13C NOESY, no=2731, id=4131
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HB1) 2.479 0.737 0.737 ! spec=13C NOESY, no=2733, id=4133
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name   HA) 2.112 0.535 0.535 ! spec=13C NOESY, no=2735, id=4135
assign (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name   HA) 2.515 0.759 0.759 ! spec=13C NOESY, no=2736, id=4136
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name   HB) 2.345 0.660 0.660 ! spec=13C NOESY, no=2737, id=4137
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 2.280 0.624 0.624 ! spec=13C NOESY, no=2741, id=4141
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   36 and name   HB) 2.205 0.584 0.584 ! spec=13C NOESY, no=2746, id=4146
assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   36 and name   HB) 2.205 0.584 0.584 ! spec=13C NOESY, no=2746, id=4146
assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   36 and name   HB) 2.205 0.584 0.584 ! spec=13C NOESY, no=2746, id=4146
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  112 and name  HB2) 2.374 0.677 0.677 ! spec=13C NOESY, no=2748, id=4148
assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   25 and name   HA) 2.765 0.918 0.918 ! spec=13C NOESY, no=2755, id=4155
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   33 and name  HB1) 2.996 1.077 1.077 ! spec=13C NOESY, no=2758, id=4158
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   84 and name   HA) 2.977 2.977 3.023 ! spec=13C NOESY, no=2765, id=4165
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   86 and name   HN) 3.221 1.245 1.245 ! spec=13C NOESY, no=2766, id=4166
assign (segid "    " and resid   87 and name   HB) (segid "    " and resid   84 and name   HA) 2.348 0.662 0.662 ! spec=13C NOESY, no=2767, id=4167
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name   HA) 3.108 1.159 1.159 ! spec=13C NOESY, no=2768, id=4168
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name   HA) 2.370 0.674 0.674 ! spec=13C NOESY, no=2769, id=4169
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HG1) 2.642 2.642 3.358 ! spec=13C NOESY, no=2770, id=4170
! violated assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HG2) 2.592 0.806 0.806 ! spec=13C NOESY, no=2771, id=4171
assign (segid "    " and resid   84 and name  HB2) (segid "    " and resid   84 and name   HA) 2.493 0.746 0.746 ! spec=13C NOESY, no=2772, id=4172
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   84 and name   HA) 2.512 2.512 3.488 ! spec=13C NOESY, no=2773, id=4173
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   84 and name   HA) 2.512 2.512 3.488 ! spec=13C NOESY, no=2773, id=4173
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   84 and name   HA) 2.512 2.512 3.488 ! spec=13C NOESY, no=2773, id=4173
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  129 and name  HB1) 3.158 1.196 1.196 ! spec=13C NOESY, no=2778, id=4177
assign (segid "    " and resid  129 and name  HB1) (segid "    " and resid  128 and name   HA) 3.253 1.270 1.270 ! spec=13C NOESY, no=2779, id=4178
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB1) 2.898 1.008 1.008 ! spec=13C NOESY, no=2780, id=4179
assign (segid "    " and resid  129 and name  HB1) (segid "    " and resid  129 and name  HB2) 2.764 0.917 0.917 ! spec=13C NOESY, no=2781, id=4180
assign (segid "    " and resid  129 and name  HB2) (segid "    " and resid  128 and name   HA) 3.077 3.077 2.923 ! spec=13C NOESY, no=2784, id=4183
! violated assign (segid "    " and resid  129 and name  HB2) (segid "    " and resid  131 and name HG11) 2.939 1.037 1.037 ! spec=13C NOESY, no=2787, id=4186
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.662 0.850 0.850 ! spec=13C NOESY, no=2794, id=4193
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 2.266 0.616 0.616 ! spec=13C NOESY, no=2796, id=4195
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   10 and name   HA) 2.969 1.058 1.058 ! spec=13C NOESY, no=2799, id=4198
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HA) 1.988 1.988 4.012 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HA) 1.988 1.988 4.012 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HA) 1.988 1.988 4.012 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   30 and name   HN) 2.709 0.881 0.881 ! spec=13C NOESY, no=2803, id=4202
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   28 and name   HA) 3.185 1.217 1.217 ! spec=13C NOESY, no=2805, id=4204
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HG1) 2.447 0.718 0.718 ! spec=13C NOESY, no=2807, id=4206
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HA) 2.178 0.569 0.569 ! spec=13C NOESY, no=2808, id=4207
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   19 and name   HA) 2.846 0.972 0.972 ! spec=13C NOESY, no=2812, id=4211
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HB1) 2.902 1.011 1.011 ! spec=13C NOESY, no=2813, id=4212
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HG2) 2.766 0.918 0.918 ! spec=13C NOESY, no=2814, id=4213
! violated assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   22 and name  HB2) 2.764 0.917 0.917 ! spec=13C NOESY, no=2816, id=4215
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB2) 2.645 0.839 0.839 ! spec=13C NOESY, no=2817, id=4216
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.701 0.876 0.876 ! spec=13C NOESY, no=2818, id=4217
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name   HN) 2.699 0.874 0.874 ! spec=13C NOESY, no=2828, id=4227
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HA) 2.817 0.952 0.952 ! spec=13C NOESY, no=2829, id=4228
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   59 and name   HA) 2.842 2.842 3.158 ! spec=13C NOESY, no=2830, id=4229
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HG1) 2.614 2.614 3.386 ! spec=13C NOESY, no=2832, id=4231
! violated assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid   93 and name  HG1) 3.088 1.144 1.144 ! spec=13C NOESY, no=2835, id=4234
assign (segid "    " and resid   93 and name  HG1) (segid "    " and resid   93 and name  HB1) 2.574 0.795 0.795 ! spec=13C NOESY, no=2836, id=4235
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HG2) 2.757 2.757 3.243 ! spec=13C NOESY, no=2839, id=4238
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   93 and name  HG2) 2.563 0.788 0.788 ! spec=13C NOESY, no=2840, id=4239
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid   93 and name  HG2) 2.694 0.871 0.871 ! spec=13C NOESY, no=2841, id=4240
assign (segid "    " and resid   93 and name  HG1) (segid "    " and resid   93 and name  HG2) 2.163 0.562 0.562 ! spec=13C NOESY, no=2842, id=4241
assign (segid "    " and resid   93 and name  HB2) (segid "    " and resid   93 and name  HG2) 2.556 0.784 0.784 ! spec=13C NOESY, no=2843, id=4242
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   39 and name   HA) 2.579 0.798 0.798 ! spec=13C NOESY, no=2850, id=4249
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   64 and name   HA) 1.900 1.900 4.100 ! spec=13C NOESY, no=2851, id=4250
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HA) 2.014 0.487 0.487 ! spec=13C NOESY, no=2852, id=4251
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HA) 2.084 2.084 3.916 ! spec=13C NOESY, no=2855, id=4254
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HA) 2.084 2.084 3.916 ! spec=13C NOESY, no=2855, id=4254
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HA) 2.084 2.084 3.916 ! spec=13C NOESY, no=2855, id=4254
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   97 and name  HB2) 2.886 0.999 0.999 ! spec=13C NOESY, no=2857, id=4256
! violated assign (segid "    " and resid   97 and name  HB2) (segid "    " and resid   41 and name HD21) 2.815 0.951 0.951 ! spec=13C NOESY, no=2858, id=4257
assign (segid "    " and resid   97 and name  HB2) (segid "    " and resid   97 and name  HB1) 2.668 0.854 0.854 ! spec=13C NOESY, no=2859, id=4258
assign (segid "    " and resid   97 and name  HB2) (segid "    " and resid   97 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=2861, id=4260
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 2.254 0.610 0.610 ! spec=13C NOESY, no=2864, id=4263
! violated assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name HD22) 3.101 1.154 1.154 ! spec=13C NOESY, no=2870, id=4269
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    7 and name  HB1) 2.768 0.920 0.920 ! spec=13C NOESY, no=2873, id=4272
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name  HB1) 2.933 1.032 1.032 ! spec=13C NOESY, no=2875, id=4274
assign (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name   HA) 2.694 0.871 0.871 ! spec=13C NOESY, no=2879, id=4278
assign (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name  HB2) 2.081 0.520 0.520 ! spec=13C NOESY, no=2881, id=4280
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   78 and name   HA) 2.681 0.863 0.863 ! spec=13C NOESY, no=2885, id=4284
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HD2) 2.876 0.992 0.992 ! spec=13C NOESY, no=2887, id=4286
! violated assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   91 and name HE22) 2.356 0.666 0.666 ! spec=13C NOESY, no=2889, id=4288
! violated assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   43 and name   HA) 2.616 0.821 0.821 ! spec=13C NOESY, no=2890, id=4289
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HD2) 2.856 2.856 3.144 ! spec=13C NOESY, no=2892, id=4291
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HB1) 2.841 0.969 0.969 ! spec=13C NOESY, no=2894, id=4293
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB1) 2.582 0.800 0.800 ! spec=13C NOESY, no=2895, id=4294
assign (segid "    " and resid   67 and name  HB1) (segid "    " and resid   67 and name   HA) 2.684 0.865 0.865 ! spec=13C NOESY, no=2897, id=4296
assign (segid "    " and resid   67 and name  HB1) (segid "    " and resid   67 and name  HB2) 2.101 0.530 0.530 ! spec=13C NOESY, no=2899, id=4298
! violated assign (segid "    " and resid   97 and name  HB1) (segid "    " and resid   93 and name  HG1) 2.332 0.653 0.653 ! spec=13C NOESY, no=2900, id=4299
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   67 and name  HB1) 2.506 0.754 0.754 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   67 and name  HB1) 2.506 0.754 0.754 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   67 and name  HB1) 2.506 0.754 0.754 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB2) 2.476 2.476 3.524 ! spec=13C NOESY, no=2904, id=4303
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name  HB2) 2.908 1.015 1.015 ! spec=13C NOESY, no=2905, id=4304
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   67 and name   HA) 2.633 0.832 0.832 ! spec=13C NOESY, no=2906, id=4305
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   70 and name  HG2) 2.923 1.025 1.025 ! spec=13C NOESY, no=2911, id=4310
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.229 0.596 0.596 ! spec=13C NOESY, no=2914, id=4313
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   88 and name  HB2) 2.549 0.780 0.780 ! spec=13C NOESY, no=2916, id=4315
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HG2) 2.414 2.414 3.586 ! spec=13C NOESY, no=2919, id=4318
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  127 and name   HN) 2.908 1.015 1.015 ! spec=13C NOESY, no=2921, id=4320
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name  HB2) 2.343 0.659 0.659 ! spec=13C NOESY, no=2923, id=4322
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name  HB2) 2.456 0.724 0.724 ! spec=13C NOESY, no=2924, id=4323
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name  HD2) 2.538 0.773 0.773 ! spec=13C NOESY, no=2926, id=4325
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HD2) 2.320 0.646 0.646 ! spec=13C NOESY, no=2927, id=4326
! violated assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   24 and name  HA1) 2.403 0.693 0.693 ! spec=13C NOESY, no=2930, id=4329
assign (segid "    " and resid  123 and name   HA) (segid "    " and resid  124 and name   HN) 2.232 0.598 0.598 ! spec=13C NOESY, no=2932, id=4331
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name   HA) 3.161 1.199 1.199 ! spec=13C NOESY, no=2934, id=4333
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.758 0.913 0.913 ! spec=13C NOESY, no=2936, id=4335
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 2.444 0.717 0.717 ! spec=13C NOESY, no=2937, id=4336
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   99 and name  HD1) 2.689 0.868 0.868 ! spec=13C NOESY, no=2938, id=4337
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name HG22) 2.286 0.627 0.627 ! spec=13C NOESY, no=2941, id=4340
! violated assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name HG21) 2.286 0.627 0.627 ! spec=13C NOESY, no=2941, id=4340
! violated assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name HG23) 2.286 0.627 0.627 ! spec=13C NOESY, no=2941, id=4340
! violated assign (segid "    " and resid   70 and name  HD2) (segid "    " and resid   70 and name   HN) 2.796 0.938 0.938 ! spec=13C NOESY, no=2953, id=4352
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  134 and name  HD2) 3.007 1.085 1.085 ! spec=13C NOESY, no=2960, id=4359
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HD2) 2.800 0.941 0.941 ! spec=13C NOESY, no=2962, id=4361
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   44 and name   HA) 3.005 1.083 1.083 ! spec=13C NOESY, no=2963, id=4362
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HD2) 2.466 0.730 0.730 ! spec=13C NOESY, no=2966, id=4365
assign (segid "    " and resid  123 and name   HA) (segid "    " and resid  123 and name   HN) 2.850 0.975 0.975 ! spec=13C NOESY, no=2968, id=4366
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  123 and name   HA) 2.966 1.056 1.056 ! spec=13C NOESY, no=2969, id=4367
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  123 and name   HA) 3.049 3.049 2.951 ! spec=13C NOESY, no=2970, id=4368
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  123 and name   HA) 3.049 3.049 2.951 ! spec=13C NOESY, no=2970, id=4368
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  123 and name   HA) 3.049 3.049 2.951 ! spec=13C NOESY, no=2970, id=4368
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  123 and name   HA) 2.250 0.607 0.607 ! spec=13C NOESY, no=2971, id=4369
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  123 and name   HA) 2.250 0.607 0.607 ! spec=13C NOESY, no=2971, id=4369
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  123 and name   HA) 2.250 0.607 0.607 ! spec=13C NOESY, no=2971, id=4369
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name   HA) 2.523 0.764 0.764 ! spec=13C NOESY, no=2974, id=4372
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HA) 2.690 0.869 0.869 ! spec=13C NOESY, no=2975, id=4373
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   68 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=2979, id=4377
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   68 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=2979, id=4377
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   68 and name   HA) 2.065 2.065 3.935 ! spec=13C NOESY, no=2979, id=4377
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HA) 1.965 0.463 0.463 ! spec=13C NOESY, no=2981, id=4379
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   23 and name   HA) 2.520 2.520 3.480 ! spec=13C NOESY, no=2982, id=4380
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB1) 2.338 0.656 0.656 ! spec=13C NOESY, no=2986, id=4384
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  136 and name  HB2) 2.451 2.451 3.549 ! spec=13C NOESY, no=2992, id=4390
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  136 and name  HB1) 2.451 2.451 3.549 ! spec=13C NOESY, no=2992, id=4390
! violated assign (segid "    " and resid  131 and name   HA) (segid "    " and resid  131 and name HG12) 2.190 0.576 0.576 ! spec=13C NOESY, no=3004, id=4402
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  131 and name   HA) 2.517 0.760 0.760 ! spec=13C NOESY, no=3006, id=4404
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name   HA) 2.979 2.979 3.021 ! spec=13C NOESY, no=3008, id=4406
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB2) 2.618 0.823 0.823 ! spec=13C NOESY, no=3015, id=4412
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB2) 2.399 0.691 0.691 ! spec=13C NOESY, no=3016, id=4413
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HB2) 2.339 0.656 0.656 ! spec=13C NOESY, no=3017, id=4414
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   13 and name  HB2) 2.560 0.787 0.787 ! spec=13C NOESY, no=3018, id=4415
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name   HA) 2.615 0.821 0.821 ! spec=13C NOESY, no=3020, id=4417
assign (segid "    " and resid  117 and name  HB2) (segid "    " and resid  117 and name   HA) 2.083 0.521 0.521 ! spec=13C NOESY, no=3023, id=4420
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  111 and name   HA) 2.436 0.712 0.712 ! spec=13C NOESY, no=3025, id=4422
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  111 and name   HA) 2.658 0.848 0.848 ! spec=13C NOESY, no=3027, id=4424
assign (segid "    " and resid  111 and name  HB2) (segid "    " and resid  111 and name   HA) 2.118 0.538 0.538 ! spec=13C NOESY, no=3029, id=4426
! violated assign (segid "    " and resid  111 and name   HA) (segid "    " and resid  111 and name  HG2) 2.430 0.709 0.709 ! spec=13C NOESY, no=3030, id=4427
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HA) 2.148 0.554 0.554 ! spec=13C NOESY, no=3033, id=4430
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   35 and name   HA) 2.890 1.003 1.003 ! spec=13C NOESY, no=3035, id=4432
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HB) 2.913 2.913 3.087 ! spec=13C NOESY, no=3038, id=4435
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name   HA) 2.582 0.800 0.800 ! spec=13C NOESY, no=3042, id=4438
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name   HA) 2.781 0.928 0.928 ! spec=13C NOESY, no=3043, id=4439
assign (segid "    " and resid  131 and name   HA) (segid "    " and resid  131 and name HG11) 2.394 2.394 3.606 ! spec=13C NOESY, no=3045, id=4441
! violated assign (segid "    " and resid  113 and name  HB2) (segid "    " and resid  119 and name  HA1) 2.154 0.557 0.557 ! spec=13C NOESY, no=3050, id=4446
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    5 and name   HN) 3.206 1.233 1.233 ! spec=13C NOESY, no=3065, id=4451
assign (segid "    " and resid   70 and name  HD2) (segid "    " and resid   70 and name   HA) 2.212 0.587 0.587 ! spec=13C NOESY, no=3067, id=4453
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    4 and name  HD2) 2.979 1.065 1.065 ! spec=13C NOESY, no=3068, id=4454
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HD2) 2.384 2.384 3.616 ! spec=13C NOESY, no=3072, id=4458
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    8 and name HD21) 2.936 1.034 1.034 ! spec=13C NOESY, no=3073, id=4459
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HD2) 2.542 0.775 0.775 ! spec=13C NOESY, no=3076, id=4462
! violated assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  127 and name  HD2) 2.048 0.503 0.503 ! spec=13C NOESY, no=3079, id=4465
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid   15 and name  HE1) 2.946 2.946 3.054 ! spec=13C NOESY, no=3080, id=4466
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  102 and name  HD1) 2.746 2.746 3.254 ! spec=13C NOESY, no=3084, id=4470
! violated assign (segid "    " and resid   80 and name  HB1) (segid "    " and resid   48 and name   HA) 2.372 0.675 0.675 ! spec=13C NOESY, no=3087, id=4473
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   94 and name  HG1) 3.055 1.120 1.120 ! spec=13C NOESY, no=3094, id=4480
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   16 and name   HG) 2.838 0.966 0.966 ! spec=13C NOESY, no=3095, id=4481
assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   94 and name  HG1) 2.500 0.750 0.750 ! spec=13C NOESY, no=3096, id=4482
assign (segid "    " and resid  135 and name  HE2) (segid "    " and resid  135 and name  HD2) 2.716 0.885 0.885 ! spec=13C NOESY, no=3098, id=4484
assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   94 and name  HG1) 2.268 0.617 0.617 ! spec=13C NOESY, no=3100, id=4486
assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   94 and name  HG2) 2.614 0.820 0.820 ! spec=13C NOESY, no=3101, id=4487
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  125 and name   HA) 2.740 0.901 0.901 ! spec=13C NOESY, no=3102, id=4488
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HG11) 2.297 0.633 0.633 ! spec=13C NOESY, no=3103, id=4489
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   15 and name  HE1) 2.446 2.446 3.554 ! spec=13C NOESY, no=3106, id=4492
! violated assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name   HG) 2.542 0.775 0.775 ! spec=13C NOESY, no=3108, id=4494
! violated assign (segid "    " and resid  130 and name   HG) (segid "    " and resid   95 and name   HN) 3.056 1.121 1.121 ! spec=13C NOESY, no=3110, id=4496
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB2) 2.819 0.953 0.953 ! spec=13C NOESY, no=3116, id=4502
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB1) 2.819 0.953 0.953 ! spec=13C NOESY, no=3116, id=4502
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  104 and name  HG2) 2.498 0.749 0.749 ! spec=13C NOESY, no=3124, id=4510
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name   HG) 2.982 1.067 1.067 ! spec=13C NOESY, no=3126, id=4512
assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   41 and name   HA) 2.983 1.068 1.068 ! spec=13C NOESY, no=3129, id=4515
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD12) 2.309 0.640 0.640 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD11) 2.309 0.640 0.640 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD13) 2.309 0.640 0.640 ! spec=13C NOESY, no=3132, id=4518
! violated assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   51 and name   HA) 3.007 1.085 1.085 ! spec=13C NOESY, no=3134, id=4520
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HG2) 2.737 0.899 0.899 ! spec=13C NOESY, no=3135, id=4521
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   15 and name   HZ) 2.548 0.779 0.779 ! spec=13C NOESY, no=3141, id=4527
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   58 and name  HD2) 2.920 1.023 1.023 ! spec=13C NOESY, no=3142, id=4528
assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name   HG) 2.171 0.566 0.566 ! spec=13C NOESY, no=3143, id=4529
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name   HG) 1.983 0.472 0.472 ! spec=13C NOESY, no=3144, id=4530
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name   HG) 1.983 0.472 0.472 ! spec=13C NOESY, no=3144, id=4530
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name   HG) 1.983 0.472 0.472 ! spec=13C NOESY, no=3144, id=4530
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name   HA) 2.199 0.580 0.580 ! spec=13C NOESY, no=3146, id=4532
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HD2) 3.031 1.103 1.103 ! spec=13C NOESY, no=3150, id=4536
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   74 and name   HA) 2.358 2.358 3.642 ! spec=13C NOESY, no=3156, id=4542
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   74 and name   HA) 2.358 2.358 3.642 ! spec=13C NOESY, no=3156, id=4542
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   74 and name   HA) 2.358 2.358 3.642 ! spec=13C NOESY, no=3156, id=4542
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name   HA) 3.021 1.095 1.095 ! spec=13C NOESY, no=3159, id=4545
! violated assign (segid "    " and resid  114 and name   HA) (segid "    " and resid  118 and name HG11) 2.712 2.712 3.288 ! spec=13C NOESY, no=3163, id=4549
assign (segid "    " and resid   29 and name  HG1) (segid "    " and resid   28 and name   HA) 2.939 1.037 1.037 ! spec=13C NOESY, no=3174, id=4557
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   16 and name   HG) 2.517 0.760 0.760 ! spec=13C NOESY, no=3179, id=4562
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   16 and name   HG) 2.517 0.760 0.760 ! spec=13C NOESY, no=3179, id=4562
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   16 and name   HG) 2.517 0.760 0.760 ! spec=13C NOESY, no=3179, id=4562
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   16 and name HD12) 2.488 0.743 0.743 ! spec=13C NOESY, no=3180, id=4563
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   16 and name HD11) 2.488 0.743 0.743 ! spec=13C NOESY, no=3180, id=4563
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   16 and name HD13) 2.488 0.743 0.743 ! spec=13C NOESY, no=3180, id=4563
! violated assign (segid "    " and resid   94 and name  HG1) (segid "    " and resid   41 and name   HN) 2.840 0.968 0.968 ! spec=13C NOESY, no=3181, id=4564
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name   HG) 3.051 1.117 1.117 ! spec=13C NOESY, no=3193, id=4576
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   33 and name   HA) 2.670 0.855 0.855 ! spec=13C NOESY, no=3196, id=4579
assign (segid "    " and resid   58 and name  HG1) (segid "    " and resid   59 and name   HA) 3.077 1.136 1.136 ! spec=13C NOESY, no=3199, id=4582
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HG1) 3.054 1.119 1.119 ! spec=13C NOESY, no=3200, id=4583
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HG1) 2.783 0.929 0.929 ! spec=13C NOESY, no=3201, id=4584
! violated assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HG22) 2.220 0.591 0.591 ! spec=13C NOESY, no=3206, id=4589
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HG21) 2.220 0.591 0.591 ! spec=13C NOESY, no=3206, id=4589
! violated assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HG23) 2.220 0.591 0.591 ! spec=13C NOESY, no=3206, id=4589
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG12) 2.768 0.919 0.919 ! spec=13C NOESY, no=3208, id=4591
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HG2) 2.773 0.923 0.923 ! spec=13C NOESY, no=3214, id=4597
! violated assign (segid "    " and resid   37 and name HG12) (segid "    " and resid   38 and name HD22) 3.249 1.267 1.267 ! spec=13C NOESY, no=3215, id=4598
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HG2) 2.996 1.077 1.077 ! spec=13C NOESY, no=3216, id=4599
assign (segid "    " and resid   58 and name  HG2) (segid "    " and resid  125 and name HG22) 2.930 2.930 3.070 ! spec=13C NOESY, no=3217, id=4600
assign (segid "    " and resid   58 and name  HG2) (segid "    " and resid  125 and name HG21) 2.930 2.930 3.070 ! spec=13C NOESY, no=3217, id=4600
assign (segid "    " and resid   58 and name  HG2) (segid "    " and resid  125 and name HG23) 2.930 2.930 3.070 ! spec=13C NOESY, no=3217, id=4600
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name   HN) 2.746 0.905 0.905 ! spec=13C NOESY, no=3224, id=4607
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HG12) 2.525 0.765 0.765 ! spec=13C NOESY, no=3226, id=4609
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HD12) 2.498 0.749 0.749 ! spec=13C NOESY, no=3227, id=4610
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HD11) 2.498 0.749 0.749 ! spec=13C NOESY, no=3227, id=4610
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HD13) 2.498 0.749 0.749 ! spec=13C NOESY, no=3227, id=4610
assign (segid "    " and resid   90 and name HD12) (segid "    " and resid   51 and name HG12) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD12) (segid "    " and resid   51 and name HG11) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD12) (segid "    " and resid   51 and name HG13) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD11) (segid "    " and resid   51 and name HG12) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD11) (segid "    " and resid   51 and name HG11) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD11) (segid "    " and resid   51 and name HG13) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD13) (segid "    " and resid   51 and name HG12) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD13) (segid "    " and resid   51 and name HG11) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid   90 and name HD13) (segid "    " and resid   51 and name HG13) 3.088 3.088 2.912 ! spec=13C NOESY, no=3228, id=4611
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  131 and name HG12) 2.832 0.962 0.962 ! spec=13C NOESY, no=3232, id=4615
assign (segid "    " and resid  118 and name HG12) (segid "    " and resid  118 and name HD12) 2.577 0.797 0.797 ! spec=13C NOESY, no=3238, id=4621
assign (segid "    " and resid  118 and name HG12) (segid "    " and resid  118 and name HD11) 2.577 0.797 0.797 ! spec=13C NOESY, no=3238, id=4621
assign (segid "    " and resid  118 and name HG12) (segid "    " and resid  118 and name HD13) 2.577 0.797 0.797 ! spec=13C NOESY, no=3238, id=4621
assign (segid "    " and resid  104 and name   HA) (segid "    " and resid  123 and name HG21) 2.887 1.000 1.000 ! spec=13C NOESY, no=3239, id=4622
assign (segid "    " and resid  104 and name   HA) (segid "    " and resid  123 and name HG22) 2.887 1.000 1.000 ! spec=13C NOESY, no=3239, id=4622
assign (segid "    " and resid  104 and name   HA) (segid "    " and resid  123 and name HG23) 2.887 1.000 1.000 ! spec=13C NOESY, no=3239, id=4622
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name   HA) 3.223 1.246 1.246 ! spec=13C NOESY, no=3243, id=4626
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name   HA) 2.213 2.213 3.787 ! spec=13C NOESY, no=3246, id=4629
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name   HA) 2.213 2.213 3.787 ! spec=13C NOESY, no=3246, id=4629
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name   HA) 2.213 2.213 3.787 ! spec=13C NOESY, no=3246, id=4629
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   49 and name  HB2) 2.703 0.876 0.876 ! spec=13C NOESY, no=3247, id=4630
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   64 and name   HA) 2.696 0.872 0.872 ! spec=13C NOESY, no=3249, id=4632
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HA) 2.380 0.680 0.680 ! spec=13C NOESY, no=3252, id=4635
assign (segid "    " and resid   73 and name  HD2) (segid "    " and resid   71 and name   HA) 3.004 1.083 1.083 ! spec=13C NOESY, no=3254, id=4637
assign (segid "    " and resid   71 and name HG21) (segid "    " and resid   71 and name   HA) 1.935 1.935 4.065 ! spec=13C NOESY, no=3256, id=4639
assign (segid "    " and resid   71 and name HG22) (segid "    " and resid   71 and name   HA) 1.935 1.935 4.065 ! spec=13C NOESY, no=3256, id=4639
assign (segid "    " and resid   71 and name HG23) (segid "    " and resid   71 and name   HA) 1.935 1.935 4.065 ! spec=13C NOESY, no=3256, id=4639
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name   HA) 2.513 0.758 0.758 ! spec=13C NOESY, no=3257, id=4640
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   35 and name  HE2) 2.984 1.069 1.069 ! spec=13C NOESY, no=3260, id=4643
assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid  120 and name   HA) 2.440 0.715 0.715 ! spec=13C NOESY, no=3265, id=4648
assign (segid "    " and resid  120 and name  HB2) (segid "    " and resid  120 and name   HA) 2.500 0.750 0.750 ! spec=13C NOESY, no=3267, id=4650
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   64 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=3268, id=4651
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   64 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=3268, id=4651
assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   64 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=3268, id=4651
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name   HA) 2.397 0.689 0.689 ! spec=13C NOESY, no=3269, id=4652
assign (segid "    " and resid  120 and name   HA) (segid "    " and resid  113 and name   HA) 2.357 0.667 0.667 ! spec=13C NOESY, no=3270, id=4653
assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  105 and name  HB1) 2.621 0.824 0.824 ! spec=13C NOESY, no=3272, id=4655
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name   HA) 2.493 0.746 0.746 ! spec=13C NOESY, no=3275, id=4658
! violated assign (segid "    " and resid  105 and name  HB1) (segid "    " and resid  111 and name  HD2) 1.815 1.815 4.185 ! spec=13C NOESY, no=3279, id=4662
! violated assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  112 and name  HG2) 2.800 0.941 0.941 ! spec=13C NOESY, no=3284, id=4667
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HG2) 2.380 0.680 0.680 ! spec=13C NOESY, no=3286, id=4669
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   45 and name  HG1) 1.968 0.465 0.465 ! spec=13C NOESY, no=3288, id=4671
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name   HA) 3.195 1.225 1.225 ! spec=13C NOESY, no=3289, id=4672
assign (segid "    " and resid  105 and name  HB2) (segid "    " and resid  105 and name   HN) 2.911 1.017 1.017 ! spec=13C NOESY, no=3294, id=4677
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HG) 2.446 0.718 0.718 ! spec=13C NOESY, no=3300, id=4683
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HG) 2.446 0.718 0.718 ! spec=13C NOESY, no=3300, id=4683
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HG) 2.446 0.718 0.718 ! spec=13C NOESY, no=3300, id=4683
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name   HG) 2.788 0.933 0.933 ! spec=13C NOESY, no=3301, id=4684
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name HG12) 2.742 0.902 0.902 ! spec=13C NOESY, no=3305, id=4688
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name HD12) 2.652 0.844 0.844 ! spec=13C NOESY, no=3306, id=4689
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name HD11) 2.652 0.844 0.844 ! spec=13C NOESY, no=3306, id=4689
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name HD13) 2.652 0.844 0.844 ! spec=13C NOESY, no=3306, id=4689
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name  HB2) 2.304 0.637 0.637 ! spec=13C NOESY, no=3308, id=4691
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HG22) 2.877 0.993 0.993 ! spec=13C NOESY, no=3311, id=4694
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HG21) 2.877 0.993 0.993 ! spec=13C NOESY, no=3311, id=4694
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HG23) 2.877 0.993 0.993 ! spec=13C NOESY, no=3311, id=4694
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HD12) 2.696 0.872 0.872 ! spec=13C NOESY, no=3312, id=4695
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HD11) 2.696 0.872 0.872 ! spec=13C NOESY, no=3312, id=4695
assign (segid "    " and resid  128 and name HG12) (segid "    " and resid  128 and name HD13) 2.696 0.872 0.872 ! spec=13C NOESY, no=3312, id=4695
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   43 and name   HA) 3.100 1.153 1.153 ! spec=13C NOESY, no=3314, id=4697
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   42 and name  HA2) 3.044 1.112 1.112 ! spec=13C NOESY, no=3316, id=4699
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name   HA) 2.082 0.520 0.520 ! spec=13C NOESY, no=3317, id=4700
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name   HA) 2.668 0.854 0.854 ! spec=13C NOESY, no=3321, id=4704
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   86 and name   HA) 2.610 0.817 0.817 ! spec=13C NOESY, no=3322, id=4705
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   86 and name  HD1) 2.932 1.032 1.032 ! spec=13C NOESY, no=3323, id=4706
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   86 and name  HB1) 2.783 0.930 0.930 ! spec=13C NOESY, no=3324, id=4707
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid  130 and name   HG) 2.686 0.866 0.866 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid  128 and name HD12) 3.049 1.116 1.116 ! spec=13C NOESY, no=3328, id=4711
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid  128 and name HD11) 3.049 1.116 1.116 ! spec=13C NOESY, no=3328, id=4711
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid  128 and name HD13) 3.049 1.116 1.116 ! spec=13C NOESY, no=3328, id=4711
assign (segid "    " and resid  111 and name  HG2) (segid "    " and resid  111 and name  HD2) 2.852 0.976 0.976 ! spec=13C NOESY, no=3333, id=4716
assign (segid "    " and resid  120 and name  HB2) (segid "    " and resid  120 and name  HG1) 2.638 0.835 0.835 ! spec=13C NOESY, no=3334, id=4717
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name   HG) 3.256 1.272 1.272 ! spec=13C NOESY, no=3336, id=4719
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  120 and name  HG2) 2.975 1.062 1.062 ! spec=13C NOESY, no=3337, id=4720
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   85 and name  HA2) 2.912 1.017 1.017 ! spec=13C NOESY, no=3338, id=4721
assign (segid "    " and resid  120 and name  HG2) (segid "    " and resid  120 and name  HG1) 2.037 0.498 0.498 ! spec=13C NOESY, no=3341, id=4724
assign (segid "    " and resid   59 and name   HG) (segid "    " and resid   59 and name   HA) 2.318 0.645 0.645 ! spec=13C NOESY, no=3343, id=4726
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HG2) 2.066 0.512 0.512 ! spec=13C NOESY, no=3345, id=4728
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  126 and name   HZ) 2.643 0.839 0.839 ! spec=13C NOESY, no=3353, id=4736
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid   65 and name   HZ) 2.919 1.022 1.022 ! spec=13C NOESY, no=3355, id=4738
! violated assign (segid "    " and resid  128 and name HG11) (segid "    " and resid   86 and name  HZ2) 2.691 0.869 0.869 ! spec=13C NOESY, no=3356, id=4739
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name   HA) 2.637 0.835 0.835 ! spec=13C NOESY, no=3357, id=4740
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD22) 2.268 0.617 0.617 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD21) 2.268 0.617 0.617 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD23) 2.268 0.617 0.617 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD12) 2.228 0.596 0.596 ! spec=13C NOESY, no=3361, id=4744
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD11) 2.228 0.596 0.596 ! spec=13C NOESY, no=3361, id=4744
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD13) 2.228 0.596 0.596 ! spec=13C NOESY, no=3361, id=4744
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  118 and name HD12) 2.687 2.687 3.313 ! spec=13C NOESY, no=3362, id=4745
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  118 and name HD11) 2.687 2.687 3.313 ! spec=13C NOESY, no=3362, id=4745
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  118 and name HD13) 2.687 2.687 3.313 ! spec=13C NOESY, no=3362, id=4745
! violated assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   12 and name   HN) 2.581 0.799 0.799 ! spec=13C NOESY, no=3364, id=4747
! violated assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name   HN) 2.836 0.965 0.965 ! spec=13C NOESY, no=3365, id=4748
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   61 and name   HN) 2.855 2.855 3.145 ! spec=13C NOESY, no=3366, id=4749
! violated assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name  HD1) 2.504 2.504 3.496 ! spec=13C NOESY, no=3367, id=4750
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG12) 2.258 2.258 3.742 ! spec=13C NOESY, no=3370, id=4753
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD22) 2.428 2.428 3.572 ! spec=13C NOESY, no=3371, id=4754
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD21) 2.428 2.428 3.572 ! spec=13C NOESY, no=3371, id=4754
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD23) 2.428 2.428 3.572 ! spec=13C NOESY, no=3371, id=4754
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   60 and name HG12) 1.992 1.992 4.008 ! spec=13C NOESY, no=3373, id=4756
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG12) 2.228 0.595 0.595 ! spec=13C NOESY, no=3374, id=4757
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD12) 2.535 0.771 0.771 ! spec=13C NOESY, no=3384, id=4767
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD11) 2.535 0.771 0.771 ! spec=13C NOESY, no=3384, id=4767
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD13) 2.535 0.771 0.771 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD12) 2.623 2.623 3.377 ! spec=13C NOESY, no=3385, id=4768
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD11) 2.623 2.623 3.377 ! spec=13C NOESY, no=3385, id=4768
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD13) 2.623 2.623 3.377 ! spec=13C NOESY, no=3385, id=4768
! violated assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name HD12) 2.196 0.578 0.578 ! spec=13C NOESY, no=3386, id=4769
! violated assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name HD11) 2.196 0.578 0.578 ! spec=13C NOESY, no=3386, id=4769
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name HD13) 2.196 0.578 0.578 ! spec=13C NOESY, no=3386, id=4769
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   93 and name  HG2) 2.997 2.997 3.003 ! spec=13C NOESY, no=3392, id=4775
assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   93 and name  HG2) 2.997 2.997 3.003 ! spec=13C NOESY, no=3392, id=4775
assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   93 and name  HG2) 2.997 2.997 3.003 ! spec=13C NOESY, no=3392, id=4775
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HA) 2.878 0.994 0.994 ! spec=13C NOESY, no=3393, id=4776
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   15 and name   HA) 2.659 0.849 0.849 ! spec=13C NOESY, no=3394, id=4777
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.327 0.650 0.650 ! spec=13C NOESY, no=3395, id=4778
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name   HA) 2.790 0.934 0.934 ! spec=13C NOESY, no=3396, id=4779
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HD1) 2.244 2.244 3.756 ! spec=13C NOESY, no=3397, id=4780
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 2.243 2.243 3.757 ! spec=13C NOESY, no=3398, id=4781
! violated assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   15 and name   HA) 2.509 0.755 0.755 ! spec=13C NOESY, no=3399, id=4782
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   44 and name   HA) 3.044 3.044 2.956 ! spec=13C NOESY, no=3403, id=4786
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name   HA) 2.215 0.589 0.589 ! spec=13C NOESY, no=3405, id=4788
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   44 and name  HD2) 2.686 0.866 0.866 ! spec=13C NOESY, no=3408, id=4791
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name   HA) 2.468 0.731 0.731 ! spec=13C NOESY, no=3410, id=4793
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name   HA) 2.633 0.832 0.832 ! spec=13C NOESY, no=3412, id=4795
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HA) 1.995 0.478 0.478 ! spec=13C NOESY, no=3414, id=4797
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   33 and name   HA) 3.189 3.189 2.811 ! spec=13C NOESY, no=3415, id=4798
assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  118 and name   HN) 2.991 1.073 1.073 ! spec=13C NOESY, no=3420, id=4803
assign (segid "    " and resid  117 and name  HG2) (segid "    " and resid  117 and name   HA) 2.666 2.666 3.334 ! spec=13C NOESY, no=3421, id=4804
assign (segid "    " and resid  111 and name  HG1) (segid "    " and resid  111 and name  HG2) 2.383 0.681 0.681 ! spec=13C NOESY, no=3423, id=4806
assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  117 and name  HG2) 2.121 0.540 0.540 ! spec=13C NOESY, no=3424, id=4807
! violated assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  118 and name HG22) 2.893 1.004 1.004 ! spec=13C NOESY, no=3425, id=4808
! violated assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  118 and name HG21) 2.893 1.004 1.004 ! spec=13C NOESY, no=3425, id=4808
! violated assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  118 and name HG23) 2.893 1.004 1.004 ! spec=13C NOESY, no=3425, id=4808
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HG2) 3.101 1.154 1.154 ! spec=13C NOESY, no=3427, id=4810
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name  HG2) 2.968 1.057 1.057 ! spec=13C NOESY, no=3429, id=4812
assign (segid "    " and resid  117 and name  HG2) (segid "    " and resid  118 and name HD12) 3.101 3.101 2.899 ! spec=13C NOESY, no=3432, id=4815
assign (segid "    " and resid  117 and name  HG2) (segid "    " and resid  118 and name HD11) 3.101 3.101 2.899 ! spec=13C NOESY, no=3432, id=4815
assign (segid "    " and resid  117 and name  HG2) (segid "    " and resid  118 and name HD13) 3.101 3.101 2.899 ! spec=13C NOESY, no=3432, id=4815
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG11) 3.060 1.124 1.124 ! spec=13C NOESY, no=3434, id=4817
assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  126 and name  HB2) 3.209 1.236 1.236 ! spec=13C NOESY, no=3435, id=4818
assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  101 and name HG12) 2.621 0.824 0.824 ! spec=13C NOESY, no=3437, id=4820
assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  128 and name HD12) 3.123 1.170 1.170 ! spec=13C NOESY, no=3439, id=4822
! violated assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  128 and name HD11) 3.123 1.170 1.170 ! spec=13C NOESY, no=3439, id=4822
assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  128 and name HD13) 3.123 1.170 1.170 ! spec=13C NOESY, no=3439, id=4822
! violated assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name   HA) 2.882 0.996 0.996 ! spec=13C NOESY, no=3440, id=4823
assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name HG12) 2.255 0.610 0.610 ! spec=13C NOESY, no=3442, id=4825
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid  128 and name HD12) 3.075 3.075 2.925 ! spec=13C NOESY, no=3446, id=4829
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid  128 and name HD11) 3.075 3.075 2.925 ! spec=13C NOESY, no=3446, id=4829
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid  128 and name HD13) 3.075 3.075 2.925 ! spec=13C NOESY, no=3446, id=4829
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name   HA) 3.076 3.076 2.924 ! spec=13C NOESY, no=3448, id=4831
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HA) 2.581 0.800 0.800 ! spec=13C NOESY, no=3449, id=4832
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  122 and name  HG1) 2.437 2.437 3.563 ! spec=13C NOESY, no=3452, id=4835
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name   HA) 2.258 2.258 3.742 ! spec=13C NOESY, no=3453, id=4836
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name  HG1) 2.449 0.720 0.720 ! spec=13C NOESY, no=3456, id=4839
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG12) 2.971 1.059 1.059 ! spec=13C NOESY, no=3466, id=4849
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD12) 2.545 0.777 0.777 ! spec=13C NOESY, no=3467, id=4850
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD11) 2.545 0.777 0.777 ! spec=13C NOESY, no=3467, id=4850
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD13) 2.545 0.777 0.777 ! spec=13C NOESY, no=3467, id=4850
! violated assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   33 and name HE22) 3.135 3.135 2.865 ! spec=13C NOESY, no=3469, id=4852
! violated assign (segid "    " and resid   32 and name HD11) (segid "    " and resid   33 and name HE22) 3.135 3.135 2.865 ! spec=13C NOESY, no=3469, id=4852
! violated assign (segid "    " and resid   32 and name HD13) (segid "    " and resid   33 and name HE22) 3.135 3.135 2.865 ! spec=13C NOESY, no=3469, id=4852
assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   28 and name   HA) 2.870 0.989 0.989 ! spec=13C NOESY, no=3471, id=4854
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   28 and name   HA) 2.870 0.989 0.989 ! spec=13C NOESY, no=3471, id=4854
assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   28 and name   HA) 2.870 0.989 0.989 ! spec=13C NOESY, no=3471, id=4854
! violated assign (segid "    " and resid   92 and name HD22) (segid "    " and resid   99 and name  HH2) 2.478 0.737 0.737 ! spec=13C NOESY, no=3479, id=4862
! violated assign (segid "    " and resid   92 and name HD21) (segid "    " and resid   99 and name  HH2) 2.478 0.737 0.737 ! spec=13C NOESY, no=3479, id=4862
! violated assign (segid "    " and resid   92 and name HD23) (segid "    " and resid   99 and name  HH2) 2.478 0.737 0.737 ! spec=13C NOESY, no=3479, id=4862
! violated assign (segid "    " and resid   92 and name HD22) (segid "    " and resid   99 and name  HZ3) 2.477 0.736 0.736 ! spec=13C NOESY, no=3481, id=4864
! violated assign (segid "    " and resid   92 and name HD21) (segid "    " and resid   99 and name  HZ3) 2.477 0.736 0.736 ! spec=13C NOESY, no=3481, id=4864
! violated assign (segid "    " and resid   92 and name HD23) (segid "    " and resid   99 and name  HZ3) 2.477 0.736 0.736 ! spec=13C NOESY, no=3481, id=4864
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  133 and name   HA) 2.194 0.578 0.578 ! spec=13C NOESY, no=3482, id=4865
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  133 and name   HA) 2.919 1.022 1.022 ! spec=13C NOESY, no=3483, id=4866
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   27 and name   HA) 2.774 0.924 0.924 ! spec=13C NOESY, no=3486, id=4869
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 2.242 0.603 0.603 ! spec=13C NOESY, no=3487, id=4870
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   33 and name   HA) 2.504 0.752 0.752 ! spec=13C NOESY, no=3489, id=4872
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HA) 3.070 1.131 1.131 ! spec=13C NOESY, no=3490, id=4873
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   33 and name  HG1) 2.829 2.829 3.171 ! spec=13C NOESY, no=3492, id=4875
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   33 and name  HB1) 2.690 0.868 0.868 ! spec=13C NOESY, no=3493, id=4876
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name   HA) 2.442 0.716 0.716 ! spec=13C NOESY, no=3496, id=4879
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name   HA) 2.782 0.929 0.929 ! spec=13C NOESY, no=3497, id=4880
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  118 and name HD12) 2.786 2.786 3.214 ! spec=13C NOESY, no=3499, id=4882
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  118 and name HD11) 2.786 2.786 3.214 ! spec=13C NOESY, no=3499, id=4882
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  118 and name HD13) 2.786 2.786 3.214 ! spec=13C NOESY, no=3499, id=4882
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name   HG) 2.903 2.903 3.097 ! spec=13C NOESY, no=3500, id=4883
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid  107 and name HD12) 2.277 2.277 3.723 ! spec=13C NOESY, no=3508, id=4891
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid  107 and name HD11) 2.277 2.277 3.723 ! spec=13C NOESY, no=3508, id=4891
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid  107 and name HD13) 2.277 2.277 3.723 ! spec=13C NOESY, no=3508, id=4891
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD12) 2.155 0.557 0.557 ! spec=13C NOESY, no=3509, id=4892
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD11) 2.155 0.557 0.557 ! spec=13C NOESY, no=3509, id=4892
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD13) 2.155 0.557 0.557 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name   HA) 3.210 1.236 1.236 ! spec=13C NOESY, no=3511, id=4894
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   84 and name  HD1) 2.625 0.827 0.827 ! spec=13C NOESY, no=3512, id=4895
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   83 and name   HA) 2.617 0.822 0.822 ! spec=13C NOESY, no=3513, id=4896
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name   HA) 2.587 0.803 0.803 ! spec=13C NOESY, no=3514, id=4897
assign (segid "    " and resid   84 and name  HB2) (segid "    " and resid   83 and name   HA) 3.251 3.251 2.749 ! spec=13C NOESY, no=3515, id=4898
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name HD12) 2.488 2.488 3.512 ! spec=13C NOESY, no=3516, id=4899
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name HD11) 2.488 2.488 3.512 ! spec=13C NOESY, no=3516, id=4899
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name HD13) 2.488 2.488 3.512 ! spec=13C NOESY, no=3516, id=4899
assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1) 2.467 0.730 0.730 ! spec=13C NOESY, no=3521, id=4904
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD2) 2.558 0.785 0.785 ! spec=13C NOESY, no=3522, id=4905
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HG1) 2.439 0.714 0.714 ! spec=13C NOESY, no=3523, id=4906
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HD2) 2.843 0.970 0.970 ! spec=13C NOESY, no=3525, id=4908
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG1) 2.575 2.575 3.425 ! spec=13C NOESY, no=3526, id=4909
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HG1) 2.395 0.688 0.688 ! spec=13C NOESY, no=3527, id=4910
assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HE1) 2.544 0.776 0.776 ! spec=13C NOESY, no=3529, id=4912
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  101 and name HG11) 2.847 2.847 3.153 ! spec=13C NOESY, no=3530, id=4913
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  101 and name HG11) 2.847 2.847 3.153 ! spec=13C NOESY, no=3530, id=4913
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  101 and name HG11) 2.847 2.847 3.153 ! spec=13C NOESY, no=3530, id=4913
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HG2) 2.413 0.699 0.699 ! spec=13C NOESY, no=3532, id=4915
! violated assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name  HG2) 2.916 1.020 1.020 ! spec=13C NOESY, no=3533, id=4916
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.423 0.704 0.704 ! spec=13C NOESY, no=3534, id=4917
! violated assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   19 and name   HA) 2.353 0.664 0.664 ! spec=13C NOESY, no=3535, id=4918
! violated assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HE1) 2.386 0.683 0.683 ! spec=13C NOESY, no=3538, id=4921
assign (segid "    " and resid   11 and name  HD1) (segid "    " and resid   60 and name HG12) 2.882 2.882 3.118 ! spec=13C NOESY, no=3542, id=4923
assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD2) 2.366 0.672 0.672 ! spec=13C NOESY, no=3546, id=4927
! violated assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HD2) 2.144 0.552 0.552 ! spec=13C NOESY, no=3547, id=4928
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   22 and name  HG1) 2.879 2.879 3.121 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   22 and name  HG1) 2.879 2.879 3.121 ! spec=13C NOESY, no=3549, id=4930
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   22 and name  HG1) 2.879 2.879 3.121 ! spec=13C NOESY, no=3549, id=4930
assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  127 and name   HA) 2.688 0.867 0.867 ! spec=13C NOESY, no=3553, id=4934
assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  127 and name   HN) 2.450 0.720 0.720 ! spec=13C NOESY, no=3555, id=4936
assign (segid "    " and resid  127 and name  HB2) (segid "    " and resid  127 and name  HG2) 1.968 0.465 0.465 ! spec=13C NOESY, no=3557, id=4938
assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  126 and name   HA) 2.674 0.858 0.858 ! spec=13C NOESY, no=3563, id=4944
! violated assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid  127 and name  HG2) 2.347 2.347 3.653 ! spec=13C NOESY, no=3567, id=4948
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid   57 and name  HA1) 2.793 0.936 0.936 ! spec=13C NOESY, no=3568, id=4949
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid  127 and name  HG2) 2.765 2.765 3.235 ! spec=13C NOESY, no=3569, id=4950
assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   29 and name  HG1) 2.586 2.586 3.414 ! spec=13C NOESY, no=3572, id=4953
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   29 and name  HG1) 2.586 2.586 3.414 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   29 and name  HG1) 2.586 2.586 3.414 ! spec=13C NOESY, no=3572, id=4953
assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   28 and name   HN) 2.351 2.351 3.649 ! spec=13C NOESY, no=3573, id=4954
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   28 and name   HN) 2.351 2.351 3.649 ! spec=13C NOESY, no=3573, id=4954
assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   28 and name   HN) 2.351 2.351 3.649 ! spec=13C NOESY, no=3573, id=4954
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD12) 2.998 1.078 1.078 ! spec=13C NOESY, no=3586, id=4964
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD11) 2.998 1.078 1.078 ! spec=13C NOESY, no=3586, id=4964
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD13) 2.998 1.078 1.078 ! spec=13C NOESY, no=3586, id=4964
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  101 and name   HA) 3.002 1.081 1.081 ! spec=13C NOESY, no=3603, id=4965
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name   HN) 2.919 1.022 1.022 ! spec=13C NOESY, no=3604, id=4966
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name   HA) 2.554 0.783 0.783 ! spec=13C NOESY, no=3605, id=4967
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  102 and name  HD1) 2.980 1.066 1.066 ! spec=13C NOESY, no=3606, id=4968
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   34 and name   HA) 2.729 0.894 0.894 ! spec=13C NOESY, no=3607, id=4969
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   34 and name  HB2) 2.850 0.975 0.975 ! spec=13C NOESY, no=3608, id=4970
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   34 and name  HB1) 2.850 0.975 0.975 ! spec=13C NOESY, no=3608, id=4970
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid  101 and name   HA) 2.667 0.853 0.853 ! spec=13C NOESY, no=3609, id=4971
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HD12) 3.050 3.050 2.950 ! spec=13C NOESY, no=3612, id=4974
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HD11) 3.050 3.050 2.950 ! spec=13C NOESY, no=3612, id=4974
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HD13) 3.050 3.050 2.950 ! spec=13C NOESY, no=3612, id=4974
! violated assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG22) 2.794 0.937 0.937 ! spec=13C NOESY, no=3613, id=4975
! violated assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG21) 2.794 0.937 0.937 ! spec=13C NOESY, no=3613, id=4975
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG23) 2.794 0.937 0.937 ! spec=13C NOESY, no=3613, id=4975
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   53 and name   HA) 2.955 1.048 1.048 ! spec=13C NOESY, no=3616, id=4978
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid  131 and name   HB) 3.229 1.251 1.251 ! spec=13C NOESY, no=3618, id=4980
! violated assign (segid "    " and resid  131 and name HG11) (segid "    " and resid   53 and name   HA) 2.415 0.700 0.700 ! spec=13C NOESY, no=3619, id=4981
! violated assign (segid "    " and resid   53 and name   HA) (segid "    " and resid  131 and name HG12) 3.004 1.083 1.083 ! spec=13C NOESY, no=3621, id=4983
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   51 and name   HA) 2.557 0.785 0.785 ! spec=13C NOESY, no=3622, id=4984
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HA) 2.338 0.656 0.656 ! spec=13C NOESY, no=3623, id=4985
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   50 and name   HA) 3.107 1.158 1.158 ! spec=13C NOESY, no=3624, id=4986
assign (segid "    " and resid  133 and name   HA) (segid "    " and resid   51 and name   HA) 2.542 0.776 0.776 ! spec=13C NOESY, no=3625, id=4987
assign (segid "    " and resid   51 and name   HB) (segid "    " and resid   51 and name   HA) 2.550 0.780 0.780 ! spec=13C NOESY, no=3627, id=4989
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   55 and name   HA) 2.833 0.963 0.963 ! spec=13C NOESY, no=3633, id=4995
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HA) 2.294 0.632 0.632 ! spec=13C NOESY, no=3634, id=4996
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name  HD1) 2.773 2.773 3.227 ! spec=13C NOESY, no=3635, id=4997
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  128 and name   HA) 2.797 0.939 0.939 ! spec=13C NOESY, no=3637, id=4999
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  128 and name HG22) 3.056 3.056 2.944 ! spec=13C NOESY, no=3641, id=5003
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  128 and name HG21) 3.056 3.056 2.944 ! spec=13C NOESY, no=3641, id=5003
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  128 and name HG23) 3.056 3.056 2.944 ! spec=13C NOESY, no=3641, id=5003
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.774 0.923 0.923 ! spec=13C NOESY, no=3644, id=5006
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   34 and name   HA) 2.812 0.949 0.949 ! spec=13C NOESY, no=3645, id=5007
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  102 and name  HD1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3646, id=5008
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HA) 2.492 0.745 0.745 ! spec=13C NOESY, no=3648, id=5010
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name   HA) 2.492 0.745 0.745 ! spec=13C NOESY, no=3648, id=5010
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid   34 and name   HA) 2.761 0.915 0.915 ! spec=13C NOESY, no=3649, id=5011
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   67 and name   HA) 3.232 1.253 1.253 ! spec=13C NOESY, no=3654, id=5016
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   56 and name   HA) 2.457 0.725 0.725 ! spec=13C NOESY, no=3658, id=5020
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name   HA) 2.311 0.641 0.641 ! spec=13C NOESY, no=3662, id=5023
assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  100 and name   HA) 2.622 0.825 0.825 ! spec=13C NOESY, no=3663, id=5024
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name   HA) 2.695 0.872 0.872 ! spec=13C NOESY, no=3667, id=5028
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name   HA) 2.306 0.638 0.638 ! spec=13C NOESY, no=3668, id=5029
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name   HA) 2.287 0.627 0.627 ! spec=13C NOESY, no=3669, id=5030
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid  118 and name HD12) 3.206 3.206 2.794 ! spec=13C NOESY, no=3670, id=5031
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid  118 and name HD11) 3.206 3.206 2.794 ! spec=13C NOESY, no=3670, id=5031
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid  118 and name HD13) 3.206 3.206 2.794 ! spec=13C NOESY, no=3670, id=5031
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  102 and name  HD1) 2.503 0.752 0.752 ! spec=13C NOESY, no=3674, id=5035
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   64 and name   HA) 3.014 1.090 1.090 ! spec=13C NOESY, no=3675, id=5036
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid  117 and name  HG1) 2.861 0.982 0.982 ! spec=13C NOESY, no=3679, id=5040
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  102 and name   HA) 2.847 0.972 0.972 ! spec=13C NOESY, no=3680, id=5041
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  102 and name   HA) 2.847 0.972 0.972 ! spec=13C NOESY, no=3680, id=5041
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  102 and name   HA) 2.847 0.972 0.972 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  103 and name   HN) 2.405 0.694 0.694 ! spec=13C NOESY, no=3681, id=5042
assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  102 and name   HA) 3.002 1.081 1.081 ! spec=13C NOESY, no=3682, id=5043
assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  102 and name   HA) 2.722 0.889 0.889 ! spec=13C NOESY, no=3683, id=5044
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  100 and name   HA) 2.390 0.685 0.685 ! spec=13C NOESY, no=3686, id=5047
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  100 and name   HA) 2.608 0.816 0.816 ! spec=13C NOESY, no=3690, id=5051
assign (segid "    " and resid  100 and name  HB2) (segid "    " and resid  100 and name   HA) 2.669 0.855 0.855 ! spec=13C NOESY, no=3691, id=5052
assign (segid "    " and resid  100 and name   HA) (segid "    " and resid  101 and name HG22) 2.895 2.895 3.105 ! spec=13C NOESY, no=3694, id=5055
assign (segid "    " and resid  100 and name   HA) (segid "    " and resid  101 and name HG21) 2.895 2.895 3.105 ! spec=13C NOESY, no=3694, id=5055
assign (segid "    " and resid  100 and name   HA) (segid "    " and resid  101 and name HG23) 2.895 2.895 3.105 ! spec=13C NOESY, no=3694, id=5055
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  126 and name   HA) 2.328 0.650 0.650 ! spec=13C NOESY, no=3697, id=5058
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  126 and name  HD1) 3.101 1.154 1.154 ! spec=13C NOESY, no=3698, id=5059
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid   57 and name  HA2) 2.904 1.012 1.012 ! spec=13C NOESY, no=3700, id=5061
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid  126 and name   HA) 2.851 0.975 0.975 ! spec=13C NOESY, no=3701, id=5062
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  126 and name  HB2) 3.006 1.084 1.084 ! spec=13C NOESY, no=3702, id=5063
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   78 and name   HA) 3.144 1.186 1.186 ! spec=13C NOESY, no=3710, id=5071
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   78 and name   HA) 3.144 1.186 1.186 ! spec=13C NOESY, no=3710, id=5071
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   78 and name   HA) 3.144 1.186 1.186 ! spec=13C NOESY, no=3710, id=5071
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   78 and name   HA) 2.703 0.876 0.876 ! spec=13C NOESY, no=3711, id=5072
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name   HA) 2.482 0.739 0.739 ! spec=13C NOESY, no=3712, id=5073
assign (segid "    " and resid   78 and name   HA) (segid "    " and resid   50 and name   HA) 2.461 0.727 0.727 ! spec=13C NOESY, no=3713, id=5074
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  126 and name   HA) 2.825 0.958 0.958 ! spec=13C NOESY, no=3720, id=5081
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   54 and name   HA) 2.994 2.994 3.006 ! spec=13C NOESY, no=3724, id=5084
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid   54 and name   HA) 2.493 0.746 0.746 ! spec=13C NOESY, no=3726, id=5086
assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid   99 and name   HA) 2.846 0.972 0.972 ! spec=13C NOESY, no=3728, id=5088
assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid   99 and name   HA) 2.783 0.929 0.929 ! spec=13C NOESY, no=3729, id=5089
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   99 and name   HA) 2.349 0.662 0.662 ! spec=13C NOESY, no=3730, id=5090
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name   HA) 2.669 0.855 0.855 ! spec=13C NOESY, no=3732, id=5092
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   99 and name  HD1) 2.792 0.935 0.935 ! spec=13C NOESY, no=3733, id=5093
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   37 and name   HA) 3.235 3.235 2.765 ! spec=13C NOESY, no=3734, id=5094
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   99 and name   HA) 2.666 0.853 0.853 ! spec=13C NOESY, no=3735, id=5095
assign (segid "    " and resid   37 and name HG12) (segid "    " and resid   99 and name   HA) 2.742 0.902 0.902 ! spec=13C NOESY, no=3738, id=5098
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG12) 2.979 2.979 3.021 ! spec=13C NOESY, no=3741, id=5101
! violated assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG11) 2.979 2.979 3.021 ! spec=13C NOESY, no=3741, id=5101
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG13) 2.979 2.979 3.021 ! spec=13C NOESY, no=3741, id=5101
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   54 and name   HA) 3.049 1.116 1.116 ! spec=13C NOESY, no=3742, id=5102
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   54 and name   HA) 2.764 0.917 0.917 ! spec=13C NOESY, no=3744, id=5104
! violated assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   74 and name  HB2) 3.161 1.199 1.199 ! spec=13C NOESY, no=3746, id=5106
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HA) 2.520 0.762 0.762 ! spec=13C NOESY, no=3747, id=5107
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   58 and name   HA) 2.716 0.885 0.885 ! spec=13C NOESY, no=3748, id=5108
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   58 and name   HA) 2.840 0.968 0.968 ! spec=13C NOESY, no=3749, id=5109
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   65 and name  HD1) 2.937 1.035 1.035 ! spec=13C NOESY, no=3750, id=5110
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   58 and name   HA) 2.593 0.807 0.807 ! spec=13C NOESY, no=3751, id=5111
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HA) 3.000 1.080 1.080 ! spec=13C NOESY, no=3756, id=5116
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   44 and name   HA) 2.366 0.672 0.672 ! spec=13C NOESY, no=3757, id=5117
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   44 and name   HA) 2.366 0.672 0.672 ! spec=13C NOESY, no=3757, id=5117
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   44 and name   HA) 2.366 0.672 0.672 ! spec=13C NOESY, no=3757, id=5117
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HA) 2.143 0.551 0.551 ! spec=13C NOESY, no=3759, id=5119
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name   HA) 2.504 0.753 0.753 ! spec=13C NOESY, no=3760, id=5120
! violated assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   38 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=3761, id=5121
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB2) 2.205 0.584 0.584 ! spec=13C NOESY, no=3765, id=5125
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name   HA) 2.701 0.875 0.875 ! spec=13C NOESY, no=3766, id=5126
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   44 and name   HA) 2.513 0.758 0.758 ! spec=13C NOESY, no=3768, id=5128
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   44 and name   HA) 2.469 0.731 0.731 ! spec=13C NOESY, no=3769, id=5129
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name   HA) 2.368 0.673 0.673 ! spec=13C NOESY, no=3773, id=5133
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name   HA) 2.935 1.034 1.034 ! spec=13C NOESY, no=3777, id=5137
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name   HA) 2.583 0.801 0.801 ! spec=13C NOESY, no=3779, id=5139
! violated assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  124 and name   HA) 2.273 0.620 0.620 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  124 and name   HA) 2.273 0.620 0.620 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  124 and name   HA) 2.273 0.620 0.620 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name   HA) 2.612 0.819 0.819 ! spec=13C NOESY, no=3783, id=5143
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HA) 2.350 0.663 0.663 ! spec=13C NOESY, no=3784, id=5144
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name HD22) 3.064 1.127 1.127 ! spec=13C NOESY, no=3785, id=5145
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name   HA) 1.828 1.828 4.172 ! spec=13C NOESY, no=3789, id=5149
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name   HA) 1.828 1.828 4.172 ! spec=13C NOESY, no=3789, id=5149
assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   41 and name   HA) 2.751 0.908 0.908 ! spec=13C NOESY, no=3790, id=5150
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   41 and name   HA) 2.683 0.864 0.864 ! spec=13C NOESY, no=3791, id=5151
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   94 and name  HG1) 3.093 1.148 1.148 ! spec=13C NOESY, no=3792, id=5152
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 2.277 0.622 0.622 ! spec=13C NOESY, no=3793, id=5153
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   33 and name   HA) 2.640 0.836 0.836 ! spec=13C NOESY, no=3794, id=5154
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HA) 2.863 0.984 0.984 ! spec=13C NOESY, no=3795, id=5155
! violated assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name HE21) 3.048 1.115 1.115 ! spec=13C NOESY, no=3796, id=5156
assign (segid "    " and resid   33 and name  HG1) (segid "    " and resid   33 and name   HA) 2.775 2.775 3.225 ! spec=13C NOESY, no=3798, id=5158
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name  HB1) 2.538 0.773 0.773 ! spec=13C NOESY, no=3799, id=5159
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HA) 2.568 0.792 0.792 ! spec=13C NOESY, no=3800, id=5160
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid  128 and name   HA) 2.976 2.976 3.024 ! spec=13C NOESY, no=3805, id=5165
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid  129 and name  HB1) 3.030 1.102 1.102 ! spec=13C NOESY, no=3806, id=5166
assign (segid "    " and resid  129 and name  HB2) (segid "    " and resid  129 and name   HA) 2.910 1.016 1.016 ! spec=13C NOESY, no=3807, id=5167
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   98 and name HG21) 2.639 0.836 0.836 ! spec=13C NOESY, no=3811, id=5171
! violated assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   98 and name HG22) 2.639 0.836 0.836 ! spec=13C NOESY, no=3811, id=5171
! violated assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   98 and name HG23) 2.639 0.836 0.836 ! spec=13C NOESY, no=3811, id=5171
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   98 and name   HA) 2.296 0.633 0.633 ! spec=13C NOESY, no=3839, id=5172
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   98 and name   HA) 2.891 1.003 1.003 ! spec=13C NOESY, no=3840, id=5173
assign (segid "    " and resid   98 and name   HA) (segid "    " and resid   97 and name   HA) 3.112 1.162 1.162 ! spec=13C NOESY, no=3841, id=5174
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   53 and name   HN) 2.318 0.645 0.645 ! spec=13C NOESY, no=3844, id=5177
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name   HN) 2.942 1.039 1.039 ! spec=13C NOESY, no=3846, id=5179
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   76 and name   HA) 2.521 0.763 0.763 ! spec=13C NOESY, no=3847, id=5180
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   75 and name   HA) 2.766 2.766 3.234 ! spec=13C NOESY, no=3848, id=5181
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   53 and name HG22) 2.807 2.807 3.193 ! spec=13C NOESY, no=3850, id=5183
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   53 and name HG21) 2.807 2.807 3.193 ! spec=13C NOESY, no=3850, id=5183
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   53 and name HG23) 2.807 2.807 3.193 ! spec=13C NOESY, no=3850, id=5183
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   76 and name   HA) 3.241 1.260 1.260 ! spec=13C NOESY, no=3852, id=5185
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name   HA) 2.640 0.836 0.836 ! spec=13C NOESY, no=3857, id=5190
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   76 and name   HA) 2.786 0.931 0.931 ! spec=13C NOESY, no=3859, id=5192
assign (segid "    " and resid  125 and name   HA) (segid "    " and resid  103 and name   HN) 2.982 1.067 1.067 ! spec=13C NOESY, no=3863, id=5196
assign (segid "    " and resid  125 and name   HA) (segid "    " and resid  125 and name   HN) 3.076 1.136 1.136 ! spec=13C NOESY, no=3865, id=5198
! violated assign (segid "    " and resid  125 and name   HA) (segid "    " and resid  102 and name  HD1) 3.131 1.176 1.176 ! spec=13C NOESY, no=3866, id=5199
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG22) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG21) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG23) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG22) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG21) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG23) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG22) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG21) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG23) 2.002 2.002 3.998 ! spec=13C NOESY, no=3867, id=5200
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 1.667 0.333 0.333 ! spec=13C NOESY, no=3873, id=5206
assign (segid "    " and resid  105 and name  HB1) (segid "    " and resid  105 and name  HB2) 2.869 2.869 3.131 ! spec=13C NOESY, no=3874, id=5207
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HA) 2.350 0.663 0.663 ! spec=13C NOESY, no=3875, id=5208
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name   HA) 2.421 0.703 0.703 ! spec=13C NOESY, no=3876, id=5209
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD12) 2.255 0.610 0.610 ! spec=13C NOESY, no=3892, id=5216
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD11) 2.255 0.610 0.610 ! spec=13C NOESY, no=3892, id=5216
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD13) 2.255 0.610 0.610 ! spec=13C NOESY, no=3892, id=5216
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG22) 2.418 0.701 0.701 ! spec=13C NOESY, no=3893, id=5217
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG21) 2.418 0.701 0.701 ! spec=13C NOESY, no=3893, id=5217
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG23) 2.418 0.701 0.701 ! spec=13C NOESY, no=3893, id=5217
! violated assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   85 and name  HA2) 2.631 0.831 0.831 ! spec=13C NOESY, no=3896, id=5220
assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   85 and name  HA2) 2.631 0.831 0.831 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   85 and name  HA2) 2.631 0.831 0.831 ! spec=13C NOESY, no=3896, id=5220
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  104 and name  HD2) 2.552 2.552 3.448 ! spec=13C NOESY, no=3898, id=5222
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  134 and name  HB1) 2.957 2.957 3.043 ! spec=13C NOESY, no=3906, id=5230
assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   33 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=3909, id=5233
! violated assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   33 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=3909, id=5233
! violated assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   33 and name   HN) 2.600 2.600 3.400 ! spec=13C NOESY, no=3909, id=5233
assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid   56 and name   HA) 2.794 0.936 0.936 ! spec=13C NOESY, no=3915, id=5237
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB2) 2.804 0.944 0.944 ! spec=13C NOESY, no=3923, id=5244
assign (segid "    " and resid  117 and name   HA) (segid "    " and resid  117 and name  HG1) 2.897 1.007 1.007 ! spec=13C NOESY, no=3928, id=5249
assign (segid "    " and resid  117 and name  HG2) (segid "    " and resid   65 and name  HB2) 3.157 1.196 1.196 ! spec=13C NOESY, no=3929, id=5250
assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid   65 and name  HB2) 3.280 1.291 1.291 ! spec=13C NOESY, no=3930, id=5251
assign (segid "    " and resid  125 and name   HB) (segid "    " and resid  125 and name   HA) 2.892 1.003 1.003 ! spec=13C NOESY, no=3933, id=5254
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   33 and name   HN) 3.299 1.306 1.306 ! spec=13C NOESY, no=3938, id=5259
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   55 and name  HD1) 3.263 1.278 1.278 ! spec=13C_...OESY, no=1, id=5263
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   55 and name  HE1) 2.983 2.983 3.017 ! spec=13C_...OESY, no=3, id=5265
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   86 and name  HZ2) 3.139 1.182 1.182 ! spec=13C_...OESY, no=4, id=5266
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   86 and name  HZ2) 3.400 1.388 1.388 ! spec=13C_...OESY, no=5, id=5267
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid  126 and name  HB1) 3.498 1.469 1.469 ! spec=13C_...OESY, no=6, id=5268
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid  128 and name HD11) 3.397 1.385 1.385 ! spec=13C_...OESY, no=9, id=5271
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid  128 and name HG21) 3.357 1.352 1.352 ! spec=13C_...OESY, no=11, id=5273
assign (segid "    " and resid  129 and name  HE1) (segid "    " and resid  131 and name   HA) 3.367 1.360 1.360 ! spec=13C_...OESY, no=13, id=5275
assign (segid "    " and resid  129 and name  HE1) (segid "    " and resid  131 and name HG11) 3.067 1.128 1.128 ! spec=13C_...OESY, no=14, id=5276
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  129 and name  HE1) 2.770 0.921 0.921 ! spec=13C_...OESY, no=16, id=5278
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  129 and name  HE1) 2.770 0.921 0.921 ! spec=13C
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  129 and name  HE1) 2.770 0.921 0.921 ! spec=13C
assign (segid "    " and resid  129 and name  HE1) (segid "    " and resid  131 and name HG12) 2.961 1.052 1.052 ! spec=13C_...OESY, no=17, id=5279
assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   99 and name  HH2) 2.547 0.778 0.778 ! spec=13C_...OESY, no=18, id=5280
assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   99 and name  HZ3) 3.125 1.172 1.172 ! spec=13C_...OESY, no=19, id=5281
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   99 and name  HZ2) 3.297 1.305 1.305 ! spec=13C_...OESY, no=21, id=5283
! violated assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   36 and name HG12) 3.004 3.004 2.996 ! spec=13C_...OESY, no=23, id=5285
assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   36 and name HG11) 3.004 3.004 2.996 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   36 and name HG13) 3.004 3.004 2.996 ! spec=13C
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HZ2) 2.849 0.974 0.974 ! spec=13C_...OESY, no=24, id=5286
assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   93 and name  HG1) 3.271 1.284 1.284 ! spec=13C_...OESY, no=26, id=5288
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  126 and name  HE1) 3.110 1.161 1.161 ! spec=13C_...OESY, no=28, id=5290
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   55 and name  HD1) 3.071 1.131 1.131 ! spec=13C_...OESY, no=29, id=5291
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid  126 and name  HD1) 3.068 1.129 1.129 ! spec=13C_...OESY, no=30, id=5292
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   55 and name  HB2) 3.624 1.576 1.576 ! spec=13C_...OESY, no=31, id=5293
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  126 and name  HB1) 3.384 1.374 1.374 ! spec=13C_...OESY, no=32, id=5294
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  126 and name  HD1) 3.393 3.393 2.607 ! spec=13C_...OESY, no=33, id=5295
! violated assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   86 and name  HE3) 3.078 3.078 2.922 ! spec=13C_...OESY, no=34, id=5296
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  126 and name  HB2) 3.229 1.251 1.251 ! spec=13C_...OESY, no=35, id=5297
assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid   19 and name HD22) 3.315 3.315 2.685 ! spec=13C_...OESY, no=38, id=5300
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid  102 and name  HD1) 2.843 2.843 3.157 ! spec=13C_...OESY, no=43, id=5305
assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  109 and name  HD1) 2.772 0.922 0.922 ! spec=13C_...OESY, no=49, id=5311
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD22) 3.054 1.120 1.120 ! spec=13C_...OESY, no=52, id=5314
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD21) 3.054 1.120 1.120 ! spec=13C
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD23) 3.054 1.120 1.120 ! spec=13C
! violated assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  108 and name  HB2) 2.814 0.950 0.950 ! spec=13C_...OESY, no=53, id=5315
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  108 and name  HB1) 2.814 0.950 0.950 ! spec=13C
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  108 and name  HB3) 2.814 0.950 0.950 ! spec=13C
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD12) 3.319 3.319 2.681 ! spec=13C_...OESY, no=56, id=5318
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD11) 3.319 3.319 2.681 ! spec=13C
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  124 and name HD13) 3.319 3.319 2.681 ! spec=13C
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  126 and name  HE1) 3.220 1.244 1.244 ! spec=13C_...OESY, no=60, id=5322
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   55 and name  HE1) 2.522 0.763 0.763 ! spec=13C_...OESY, no=63, id=5325
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   34 and name  HD1) 3.085 1.142 1.142 ! spec=13C_...OESY, no=68, id=5330
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name  HD1) 2.901 1.010 1.010 ! spec=13C_...OESY, no=74, id=5336
! violated assign (segid "    " and resid   77 and name  HD1) (segid "    " and resid   90 and name   HG) 3.041 1.110 1.110 ! spec=13C_...OESY, no=77, id=5339
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name  HD1) 2.568 0.792 0.792 ! spec=13C_...OESY, no=79, id=5341
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   77 and name  HD1) 2.368 0.673 0.673 ! spec=13C_...OESY, no=81, id=5343
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name  HD1) 2.557 0.784 0.784 ! spec=13C_...OESY, no=85, id=5347
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   35 and name   HN) 3.101 1.154 1.154 ! spec=13C_...OESY, no=86, id=5348
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   99 and name  HE3) 3.311 1.315 1.315 ! spec=13C_...OESY, no=89, id=5351
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   99 and name  HZ3) 3.284 1.294 1.294 ! spec=13C_...OESY, no=90, id=5352
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   35 and name   HA) 3.364 1.358 1.358 ! spec=13C_...OESY, no=91, id=5353
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name  HD1) 2.620 0.824 0.824 ! spec=13C_...OESY, no=92, id=5354
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name  HD1) 2.620 0.824 0.824 ! spec=13C
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   34 and name  HD1) 3.067 3.067 2.933 ! spec=13C_...OESY, no=95, id=5357
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   34 and name  HD1) 3.067 3.067 2.933 ! spec=13C
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   34 and name  HD1) 3.067 3.067 2.933 ! spec=13C
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HD1) 3.312 3.312 2.688 ! spec=13C_...OESY, no=100, id=5362
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HD1) 2.446 0.718 0.718 ! spec=13C_...OESY, no=104, id=5366
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   15 and name  HD1) 3.206 1.233 1.233 ! spec=13C_...OESY, no=105, id=5367
! violated assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name HD12) 2.315 0.643 0.643 ! spec=13C_...OESY, no=109, id=5371
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name HD11) 2.315 0.643 0.643 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name HD13) 2.315 0.643 0.643 ! spec=13C
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name   HZ) 3.421 1.404 1.404 ! spec=13C_...OESY, no=111, id=5373
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HD1) 2.607 0.816 0.816 ! spec=13C_...OESY, no=113, id=5375
assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid   65 and name   HZ) 3.253 1.270 1.270 ! spec=13C_...OESY, no=114, id=5376
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   86 and name  HB2) 3.464 1.440 1.440 ! spec=13C_...OESY, no=116, id=5378
assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid   57 and name  HA1) 3.071 1.132 1.132 ! spec=13C_...OESY, no=117, id=5379
! violated assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid  125 and name   HA) 3.477 3.477 2.523 ! spec=13C_...OESY, no=123, id=5385
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  126 and name  HE1) 3.064 1.126 1.126 ! spec=13C_...OESY, no=129, id=5391
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  126 and name   HZ) 3.332 1.333 1.333 ! spec=13C_...OESY, no=130, id=5392
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid   83 and name HD11) 3.292 1.301 1.301 ! spec=13C_...OESY, no=132, id=5394
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name  HE1) 3.502 1.472 1.472 ! spec=13C_...OESY, no=133, id=5395
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HE1) 3.038 3.038 2.962 ! spec=13C_...OESY, no=134, id=5396
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   15 and name  HE1) 3.169 1.205 1.205 ! spec=13C_...OESY, no=135, id=5397
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   15 and name  HE1) 3.349 1.346 1.346 ! spec=13C_...OESY, no=136, id=5398
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   16 and name HD12) 2.728 0.893 0.893 ! spec=13C_...OESY, no=138, id=5400
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   16 and name HD11) 2.728 0.893 0.893 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   16 and name HD13) 2.728 0.893 0.893 ! spec=13C
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   15 and name   HZ) 3.098 1.152 1.152 ! spec=13C_...OESY, no=139, id=5401
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid  125 and name HG21) 2.714 2.714 3.286 ! spec=13C_...OESY, no=142, id=5404
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   90 and name   HG) 3.050 1.117 1.117 ! spec=13C_...OESY, no=144, id=5405
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  126 and name  HE1) 3.415 1.399 1.399 ! spec=13C_...OESY, no=147, id=5408
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name  HB1) 3.392 1.381 1.381 ! spec=13C_...OESY, no=150, id=5411
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD12) 3.071 3.071 2.929 ! spec=13C_...OESY, no=152, id=5413
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD11) 3.071 3.071 2.929 ! spec=13C
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD13) 3.071 3.071 2.929 ! spec=13C
assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   90 and name HD22) 2.461 2.461 3.539 ! spec=13C_...OESY, no=153, id=5414
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   90 and name HD21) 2.461 2.461 3.539 ! spec=13C
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   90 and name HD23) 2.461 2.461 3.539 ! spec=13C
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   82 and name HG12) 2.904 2.904 3.096 ! spec=13C_...OESY, no=154, id=5415
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   82 and name HG11) 2.904 2.904 3.096 ! spec=13C
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   82 and name HG13) 2.904 2.904 3.096 ! spec=13C
assign (segid "    " and resid   15 and name   HZ) (segid "    " and resid  125 and name   HB) 2.555 0.783 0.783 ! spec=13C_...OESY, no=157, id=5418
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name  HB2) 3.225 1.248 1.248 ! spec=13C_...OESY, no=159, id=5420
! violated assign (segid "    " and resid   77 and name   HZ) (segid "    " and resid   53 and name HG12) 3.165 1.202 1.202 ! spec=13C_...OESY, no=161, id=5422
! violated assign (segid "    " and resid   77 and name   HZ) (segid "    " and resid   53 and name HG11) 3.165 1.202 1.202 ! spec=13C
! violated assign (segid "    " and resid   77 and name   HZ) (segid "    " and resid   53 and name HG13) 3.165 1.202 1.202 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name   HZ) 3.445 1.424 1.424 ! spec=13C_...OESY, no=163, id=5424
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   77 and name   HZ) 3.191 1.222 1.222 ! spec=13C_...OESY, no=164, id=5425
assign (segid "    " and resid   99 and name  HH2) (segid "    " and resid   99 and name  HZ3) 2.648 0.841 0.841 ! spec=13C_...OESY, no=167, id=5428
assign (segid "    " and resid   99 and name  HH2) (segid "    " and resid   93 and name   HA) 3.481 1.454 1.454 ! spec=13C_...OESY, no=169, id=5430
assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   99 and name  HH2) 2.866 0.986 0.986 ! spec=13C_...OESY, no=170, id=5431
assign (segid "    " and resid   92 and name  HB2) (segid "    " and resid   99 and name  HH2) 2.796 0.938 0.938 ! spec=13C_...OESY, no=171, id=5432
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   55 and name  HD1) 3.193 1.223 1.223 ! spec=13C_...OESY, no=174, id=5435
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   77 and name  HD1) 2.906 2.906 3.094 ! spec=13C_...OESY, no=175, id=5436
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   86 and name  HZ2) 3.050 1.117 1.117 ! spec=13C_...OESY, no=176, id=5437
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   55 and name  HB1) 3.323 1.325 1.325 ! spec=13C_...OESY, no=177, id=5438
! violated assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   53 and name HG11) 2.929 1.030 1.030 ! spec=13C_...OESY, no=178, id=5439
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   53 and name HG21) 3.427 3.427 2.573 ! spec=13C_...OESY, no=179, id=5440
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid  128 and name HD11) 3.348 3.348 2.652 ! spec=13C_...OESY, no=180, id=5441
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   86 and name  HD1) 2.764 0.917 0.917 ! spec=13C_...OESY, no=182, id=5443
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  101 and name HG11) 3.223 1.246 1.246 ! spec=13C_...OESY, no=184, id=5445
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  128 and name HD11) 3.246 1.264 1.264 ! spec=13C_...OESY, no=185, id=5446
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   86 and name  HH2) 3.125 1.172 1.172 ! spec=13C_...OESY, no=200, id=5461
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name  HE1) 2.950 1.044 1.044 ! spec=13C_...OESY, no=202, id=5463
assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid   19 and name HD22) 3.199 1.228 1.228 ! spec=13C_...OESY, no=203, id=5464
assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid  102 and name  HE1) 2.261 0.613 0.613 ! spec=13C_...OESY, no=205, id=5466
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  102 and name  HE1) 2.930 1.030 1.030 ! spec=13C_...OESY, no=206, id=5467
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid  102 and name  HE1) 2.833 0.963 0.963 ! spec=13C_...OESY, no=207, id=5468
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  102 and name  HE1) 2.585 0.802 0.802 ! spec=13C_...OESY, no=210, id=5471
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  125 and name HD12) 2.442 0.716 0.716 ! spec=13C_...OESY, no=213, id=5474
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  125 and name HD11) 2.442 0.716 0.716 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  125 and name HD13) 2.442 0.716 0.716 ! spec=13C
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HD1) 2.642 0.838 0.838 ! spec=13C_...OESY, no=214, id=5475
! violated assign (segid "    " and resid   97 and name  HB1) (segid "    " and resid   99 and name  HD1) 3.004 1.083 1.083 ! spec=13C_...OESY, no=219, id=5480
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   99 and name  HD1) 3.467 1.442 1.442 ! spec=13C_...OESY, no=221, id=5482
assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG22) 2.594 0.807 0.807 ! spec=13C_...OESY, no=223, id=5484
! violated assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG21) 2.594 0.807 0.807 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG23) 2.594 0.807 0.807 ! spec=13C
assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG12) 2.901 2.901 3.099 ! spec=13C_...OESY, no=224, id=5485
assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG11) 2.901 2.901 3.099 ! spec=13C
assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   36 and name HG13) 2.901 2.901 3.099 ! spec=13C
assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  101 and name   HA) 3.337 1.336 1.336 ! spec=13C_...OESY, no=225, id=5486
! violated assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid  131 and name HG12) 3.343 1.341 1.341 ! spec=13C_...OESY, no=232, id=5493
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid  129 and name  HD2) 2.749 0.907 0.907 ! spec=13C_...OESY, no=236, id=5497
assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid  129 and name  HB2) 3.330 1.331 1.331 ! spec=13C_...OESY, no=238, id=5499
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   86 and name  HB2) 3.408 1.393 1.393 ! spec=13C_...OESY, no=241, id=5502
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   86 and name  HB1) 3.201 1.230 1.230 ! spec=13C_...OESY, no=242, id=5503
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   82 and name HG11) 2.805 0.944 0.944 ! spec=13C_...OESY, no=243, id=5504
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   86 and name  HE3) 2.867 0.986 0.986 ! spec=13C_...OESY, no=244, id=5505
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   90 and name   HG) 3.373 1.365 1.365 ! spec=13C_...OESY, no=245, id=5506
assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid   98 and name   HA) 3.146 1.188 1.188 ! spec=13C_...OESY, no=247, id=5508
assign (segid "    " and resid   99 and name  HZ3) (segid "    " and resid   99 and name  HE3) 2.653 0.845 0.845 ! spec=13C_...OESY, no=248, id=5509
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.013 3.013 2.987 ! spec=13C_...OESY, no=255, id=5516
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   66 and name  HB2) 3.481 1.454 1.454 ! spec=13C_...OESY, no=257, id=5518
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   55 and name  HE1) 3.017 3.017 2.983 ! spec=13C_...OESY, no=258, id=5519
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name  HE1) 3.330 1.331 1.331 ! spec=13C_...OESY, no=260, id=5521
assign (segid "    " and resid   99 and name  HZ3) (segid "    " and resid   34 and name  HE1) 3.340 1.338 1.338 ! spec=13C_...OESY, no=261, id=5522
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name  HE1) 3.067 3.067 2.933 ! spec=13C_...OESY, no=262, id=5523
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name  HE1) 3.067 3.067 2.933 ! spec=13C
! violated assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   34 and name  HE1) 3.103 1.155 1.155 ! spec=13C_...OESY, no=263, id=5524
assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   34 and name  HE1) 2.407 2.407 3.593 ! spec=13C_...OESY, no=267, id=5528
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   34 and name  HE1) 2.407 2.407 3.593 ! spec=13C
assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   34 and name  HE1) 2.407 2.407 3.593 ! spec=13C
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  126 and name   HZ) 2.666 0.853 0.853 ! spec=13C_...OESY, no=268, id=5529
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  109 and name  HE1) 2.522 0.763 0.763 ! spec=13C_...OESY, no=269, id=5530
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  109 and name  HE1) 2.944 2.944 3.056 ! spec=13C_...OESY, no=270, id=5531
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  109 and name  HB1) 3.089 3.089 2.911 ! spec=13C_...OESY, no=271, id=5532
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  109 and name  HB2) 3.344 3.344 2.656 ! spec=13C_...OESY, no=272, id=5533
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid   83 and name   HB) 2.924 2.924 3.076 ! spec=13C_...OESY, no=273, id=5534
! violated assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  124 and name HD22) 2.962 1.053 1.053 ! spec=13C_...OESY, no=274, id=5535
! violated assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  124 and name HD21) 2.962 1.053 1.053 ! spec=13C
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  124 and name HD23) 2.962 1.053 1.053 ! spec=13C
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  109 and name  HE1) 3.010 1.087 1.087 ! spec=13C_...OESY, no=275, id=5536
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  109 and name  HE1) 3.010 1.087 1.087 ! spec=13C
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  109 and name  HE1) 3.010 1.087 1.087 ! spec=13C
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  109 and name  HE1) 2.651 2.651 3.349 ! spec=13C_...OESY, no=276, id=5537
! violated assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid   83 and name HG12) 2.496 0.747 0.747 ! spec=13C_...OESY, no=277, id=5538
! violated assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid   83 and name HG21) 2.708 0.880 0.880 ! spec=13C_...OESY, no=278, id=5539
assign (segid "    " and resid   77 and name  HD1) (segid "    " and resid   77 and name   HA) 3.132 1.177 1.177 ! spec=13C_...OESY, no=280, id=5541
assign (segid "    " and resid   33 and name  HG2) (segid "    " and resid  102 and name  HD1) 2.834 2.834 3.166 ! spec=13C_...OESY, no=281, id=5542
assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid   58 and name   HN) 3.331 1.331 1.331 ! spec=13C_...OESY, no=283, id=5544
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   90 and name HD11) 2.810 0.947 0.947 ! spec=13C_...OESY, no=284, id=5545
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  103 and name HG21) 3.108 1.159 1.159 ! spec=13C_...OESY, no=285, id=5546
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  101 and name HG12) 2.897 1.007 1.007 ! spec=13C_...OESY, no=286, id=5547
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   53 and name HG12) 2.665 0.852 0.852 ! spec=13C_...OESY, no=288, id=5549
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   53 and name HG11) 2.665 0.852 0.852 ! spec=13C
! violated assign (segid "    " and resid   77 and name  HE1) (segid "    " and resid   53 and name HG13) 2.665 0.852 0.852 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid  125 and name HD12) 2.655 0.846 0.846 ! spec=13C_...OESY, no=291, id=5552
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  102 and name  HD1) 2.655 0.846 0.846 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid  125 and name HD13) 2.655 0.846 0.846 ! spec=13C
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  102 and name  HD1) 2.970 2.970 3.030 ! spec=13C_...OESY, no=294, id=5555
! violated assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid   15 and name  HE1) 2.660 0.849 0.849 ! spec=13C_...OESY, no=295, id=5556
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid  128 and name HG21) 3.852 1.780 1.780 ! spec=13C_...OESY, no=296, id=5557
assign (segid "    " and resid   86 and name  HH2) (segid "    " and resid   55 and name   HN) 3.713 1.655 1.655 ! spec=13C_...OESY, no=297, id=5558
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   57 and name  HA2) 4.322 2.242 2.242 ! spec=13C_...OESY, no=298, id=5559
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   57 and name  HA1) 4.305 2.224 2.224 ! spec=13C_...OESY, no=299, id=5560
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HE3) 3.656 1.604 1.604 ! spec=13C_...OESY, no=300, id=5561
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid  128 and name HG21) 3.892 1.818 1.818 ! spec=13C_...OESY, no=301, id=5562
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid  128 and name HD11) 3.634 1.585 1.585 ! spec=13C_...OESY, no=302, id=5563
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   82 and name   HB) 3.965 1.887 1.887 ! spec=13C_...OESY, no=303, id=5564
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid  126 and name  HD1) 3.457 1.434 1.434 ! spec=13C_...OESY, no=305, id=5566
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   57 and name  HA2) 3.718 1.658 1.658 ! spec=13C_...OESY, no=306, id=5567
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   57 and name   HN) 3.846 1.775 1.775 ! spec=13C_...OESY, no=307, id=5568
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   57 and name  HA1) 3.507 1.476 1.476 ! spec=13C_...OESY, no=308, id=5569
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   56 and name   HN) 3.848 1.777 1.777 ! spec=13C_...OESY, no=309, id=5570
assign (segid "    " and resid  126 and name  HE2) (segid "    " and resid   86 and name  HE1) 3.588 1.545 1.545 ! spec=13C_...OESY, no=311, id=5572
assign (segid "    " and resid  126 and name  HE2) (segid "    " and resid   86 and name  HD1) 3.483 1.456 1.456 ! spec=13C_...OESY, no=312, id=5573
assign (segid "    " and resid  126 and name  HE2) (segid "    " and resid   65 and name   HZ) 3.516 1.484 1.484 ! spec=13C_...OESY, no=313, id=5574
assign (segid "    " and resid  126 and name  HE2) (segid "    " and resid   83 and name HD11) 3.564 1.524 1.524 ! spec=13C_...OESY, no=315, id=5576
assign (segid "    " and resid  126 and name  HE2) (segid "    " and resid  124 and name  HB2) 3.906 1.831 1.831 ! spec=13C_...OESY, no=316, id=5577
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  126 and name   HZ) 3.754 1.691 1.691 ! spec=13C_...OESY, no=319, id=5580
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  124 and name  HB2) 3.614 1.567 1.567 ! spec=13C_...OESY, no=321, id=5582
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid   83 and name HG21) 4.036 1.954 1.954 ! spec=13C_...OESY, no=323, id=5584
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.538 3.538 2.462 ! spec=13C_...OESY, no=324, id=5585
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   66 and name   HA) 3.792 1.726 1.726 ! spec=13C_...OESY, no=325, id=5586
assign (segid "    " and resid   77 and name   HZ) (segid "    " and resid   55 and name  HE1) 3.798 1.731 1.731 ! spec=13C_...OESY, no=326, id=5587
! violated assign (segid "    " and resid   77 and name   HZ) (segid "    " and resid   86 and name  HE3) 3.572 1.531 1.531 ! spec=13C_...OESY, no=327, id=5588
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   77 and name  HD1) 3.206 3.206 2.794 ! spec=13C_...OESY, no=328, id=5589
! violated assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  128 and name HG21) 3.763 3.763 2.237 ! spec=13C_...OESY, no=329, id=5590
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid   85 and name  HA2) 4.192 2.109 2.109 ! spec=13C_...OESY, no=330, id=5591
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid   86 and name  HB2) 3.785 1.719 1.719 ! spec=13C_...OESY, no=331, id=5592
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid   86 and name  HB1) 3.793 1.726 1.726 ! spec=13C_...OESY, no=332, id=5593
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   33 and name HE22) 3.660 1.607 1.607 ! spec=15N NOESY, no=1, id=0
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   33 and name  HB1) 2.990 1.073 1.073 ! spec=15N NOESY, no=2, id=1
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HA) 3.391 1.380 1.380 ! spec=15N NOESY, no=6, id=5
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   32 and name   HA) 3.546 1.509 1.509 ! spec=15N NOESY, no=8, id=7
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name  HD2) 3.028 3.028 2.972 ! spec=15N NOESY, no=9, id=8
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   33 and name  HG1) 3.402 3.402 2.598 ! spec=15N NOESY, no=10, id=9
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.485 0.741 0.741 ! spec=15N NOESY, no=11, id=10
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HG) 2.556 0.784 0.784 ! spec=15N NOESY, no=12, id=11
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   32 and name  HB2) 3.533 1.498 1.498 ! spec=15N NOESY, no=13, id=12
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   62 and name  HA2) 3.576 1.535 1.535 ! spec=15N NOESY, no=16, id=15
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   59 and name   HN) 3.649 1.598 1.598 ! spec=15N NOESY, no=17, id=16
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   62 and name   HN) 3.901 3.901 2.099 ! spec=15N NOESY, no=19, id=18
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   66 and name   HN) 3.570 3.570 2.430 ! spec=15N NOESY, no=20, id=19
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   58 and name   HA) 3.492 1.463 1.463 ! spec=15N NOESY, no=21, id=20
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name   HA) 3.847 1.776 1.776 ! spec=15N NOESY, no=22, id=21
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 2.788 0.933 0.933 ! spec=15N NOESY, no=23, id=22
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HB) 2.809 2.809 3.191 ! spec=15N NOESY, no=24, id=23
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   62 and name  HA1) 3.904 1.829 1.829 ! spec=15N NOESY, no=26, id=25
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HB) 2.204 0.583 0.583 ! spec=15N NOESY, no=27, id=26
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   58 and name  HG2) 3.137 1.181 1.181 ! spec=15N NOESY, no=28, id=27
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG22) 2.144 0.552 0.552 ! spec=15N NOESY, no=30, id=29
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG21) 2.144 0.552 0.552 ! spec=15N NOESY, no=30, id=29
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name HG23) 2.144 0.552 0.552 ! spec=15N NOESY, no=30, id=29
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   31 and name   HN) 3.068 1.130 1.130 ! spec=15N NOESY, no=31, id=30
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name   HA) 2.864 0.984 0.984 ! spec=15N NOESY, no=35, id=34
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name   HA) 4.003 1.922 1.922 ! spec=15N NOESY, no=36, id=35
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name   HB) 3.238 1.258 1.258 ! spec=15N NOESY, no=39, id=38
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name   HB) 2.618 0.823 0.823 ! spec=15N NOESY, no=40, id=39
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name HD12) 2.616 0.821 0.821 ! spec=15N NOESY, no=43, id=42
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name HD11) 2.616 0.821 0.821 ! spec=15N NOESY, no=43, id=42
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name HD13) 2.616 0.821 0.821 ! spec=15N NOESY, no=43, id=42
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG12) 2.834 0.964 0.964 ! spec=15N NOESY, no=44, id=43
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name  HE1) 3.700 1.643 1.643 ! spec=15N NOESY, no=46, id=45
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HN) 3.404 1.390 1.390 ! spec=15N NOESY, no=48, id=47
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name  HD1) 2.980 1.066 1.066 ! spec=15N NOESY, no=50, id=49
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HA) 3.627 1.579 1.579 ! spec=15N NOESY, no=53, id=52
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 2.896 1.007 1.007 ! spec=15N NOESY, no=54, id=53
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   98 and name   HB) 3.260 1.275 1.275 ! spec=15N NOESY, no=55, id=54
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HB) 2.719 0.887 0.887 ! spec=15N NOESY, no=59, id=58
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name  HB1) 3.612 1.565 1.565 ! spec=15N NOESY, no=64, id=63
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   97 and name  HB1) 3.752 1.689 1.689 ! spec=15N NOESY, no=66, id=65
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name  HD2) 2.583 0.800 0.800 ! spec=15N NOESY, no=68, id=67
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name   HA) 2.451 0.721 0.721 ! spec=15N NOESY, no=69, id=68
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name  HB1) 3.277 1.289 1.289 ! spec=15N NOESY, no=70, id=69
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name  HB1) 2.707 0.879 0.879 ! spec=15N NOESY, no=72, id=71
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name HG22) 2.610 0.817 0.817 ! spec=15N NOESY, no=73, id=72
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name HG21) 2.610 0.817 0.817 ! spec=15N NOESY, no=73, id=72
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name HG23) 2.610 0.817 0.817 ! spec=15N NOESY, no=73, id=72
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name  HD1) 3.253 1.270 1.270 ! spec=15N NOESY, no=75, id=74
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name   HA) 3.000 1.080 1.080 ! spec=15N NOESY, no=78, id=77
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  100 and name   HA) 3.770 1.706 1.706 ! spec=15N NOESY, no=79, id=78
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  127 and name   HA) 3.456 3.456 2.544 ! spec=15N NOESY, no=80, id=79
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   97 and name  HB1) 3.732 1.671 1.671 ! spec=15N NOESY, no=82, id=81
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   98 and name   HB) 3.312 1.316 1.316 ! spec=15N NOESY, no=83, id=82
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name  HB1) 2.995 1.076 1.076 ! spec=15N NOESY, no=85, id=84
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   93 and name  HG1) 2.438 2.438 3.562 ! spec=15N NOESY, no=88, id=87
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   98 and name HG21) 2.475 2.475 3.525 ! spec=15N NOESY, no=89, id=88
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   98 and name HG22) 2.475 2.475 3.525 ! spec=15N NOESY, no=89, id=88
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   98 and name HG23) 2.475 2.475 3.525 ! spec=15N NOESY, no=89, id=88
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HG22) 3.223 3.223 2.777 ! spec=15N NOESY, no=91, id=90
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HG21) 3.223 3.223 2.777 ! spec=15N NOESY, no=91, id=90
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HG23) 3.223 3.223 2.777 ! spec=15N NOESY, no=91, id=90
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HD12) 3.744 3.744 2.256 ! spec=15N NOESY, no=92, id=91
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HD11) 3.744 3.744 2.256 ! spec=15N NOESY, no=92, id=91
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name HD13) 3.744 3.744 2.256 ! spec=15N NOESY, no=92, id=91
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   49 and name  HB2) 3.175 3.175 2.825 ! spec=15N NOESY, no=97, id=96
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   52 and name   HN) 3.289 1.298 1.298 ! spec=15N NOESY, no=101, id=100
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   50 and name   HB) 2.963 1.053 1.053 ! spec=15N NOESY, no=103, id=102
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   45 and name  HG1) 3.332 1.332 1.332 ! spec=15N NOESY, no=105, id=104
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   50 and name HG21) 2.892 2.892 3.108 ! spec=15N NOESY, no=109, id=108
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   50 and name HG22) 2.892 2.892 3.108 ! spec=15N NOESY, no=109, id=108
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   50 and name HG23) 2.892 2.892 3.108 ! spec=15N NOESY, no=109, id=108
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   42 and name   HN) 3.053 1.118 1.118 ! spec=15N NOESY, no=111, id=110
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   43 and name   HN) 2.856 0.979 0.979 ! spec=15N NOESY, no=112, id=111
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name  HB1) 2.784 0.930 0.930 ! spec=15N NOESY, no=119, id=118
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name   HA) 3.475 1.449 1.449 ! spec=15N NOESY, no=128, id=125
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  108 and name   HA) 3.629 1.580 1.580 ! spec=15N NOESY, no=129, id=126
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  107 and name  HB1) 3.106 1.158 1.158 ! spec=15N NOESY, no=134, id=131
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  107 and name  HB2) 3.046 1.113 1.113 ! spec=15N NOESY, no=135, id=132
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  103 and name HG12) 2.830 0.961 0.961 ! spec=15N NOESY, no=136, id=133
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  103 and name HG11) 2.830 0.961 0.961 ! spec=15N NOESY, no=136, id=133
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid  103 and name HG13) 2.830 0.961 0.961 ! spec=15N NOESY, no=136, id=133
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   83 and name HG22) 2.799 0.940 0.940 ! spec=15N NOESY, no=137, id=134
! violated assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   83 and name HG21) 2.799 0.940 0.940 ! spec=15N NOESY, no=137, id=134
! violated assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   83 and name HG23) 2.799 0.940 0.940 ! spec=15N NOESY, no=137, id=134
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   99 and name  HE1) 3.663 3.663 2.337 ! spec=15N NOESY, no=138, id=135
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name  HD1) 2.908 1.015 1.015 ! spec=15N NOESY, no=141, id=138
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   99 and name   HA) 3.585 1.542 1.542 ! spec=15N NOESY, no=142, id=139
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 2.355 0.665 0.665 ! spec=15N NOESY, no=143, id=140
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   25 and name   HA) 3.170 1.206 1.206 ! spec=15N NOESY, no=144, id=141
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HB) 2.241 0.602 0.602 ! spec=15N NOESY, no=147, id=144
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HG2) 2.722 0.889 0.889 ! spec=15N NOESY, no=149, id=146
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG22) 2.508 2.508 3.492 ! spec=15N NOESY, no=150, id=147
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG21) 2.508 2.508 3.492 ! spec=15N NOESY, no=150, id=147
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG23) 2.508 2.508 3.492 ! spec=15N NOESY, no=150, id=147
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG12) 2.213 0.588 0.588 ! spec=15N NOESY, no=151, id=148
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG11) 2.213 0.588 0.588 ! spec=15N NOESY, no=151, id=148
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HG13) 2.213 0.588 0.588 ! spec=15N NOESY, no=151, id=148
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name HG12) 3.931 1.855 1.855 ! spec=15N NOESY, no=153, id=150
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name  HD1) 3.423 1.406 1.406 ! spec=15N NOESY, no=154, id=151
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name  HG1) 3.219 1.243 1.243 ! spec=15N NOESY, no=155, id=152
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   38 and name   HN) 3.776 1.711 1.711 ! spec=15N NOESY, no=159, id=155
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   97 and name   HN) 3.741 3.741 2.259 ! spec=15N NOESY, no=162, id=158
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   41 and name HD21) 3.488 1.460 1.460 ! spec=15N NOESY, no=164, id=160
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name   HA) 3.465 1.441 1.441 ! spec=15N NOESY, no=166, id=162
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   39 and name   HA) 3.754 1.691 1.691 ! spec=15N NOESY, no=167, id=163
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   97 and name   HA) 3.773 1.708 1.708 ! spec=15N NOESY, no=168, id=164
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   94 and name  HD1) 3.552 1.514 1.514 ! spec=15N NOESY, no=169, id=165
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   97 and name  HB1) 3.059 1.123 1.123 ! spec=15N NOESY, no=170, id=166
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name   HB) 3.411 1.396 1.396 ! spec=15N NOESY, no=174, id=170
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   93 and name  HG1) 3.043 1.111 1.111 ! spec=15N NOESY, no=176, id=172
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG22) 2.543 0.776 0.776 ! spec=15N NOESY, no=177, id=173
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG21) 2.543 0.776 0.776 ! spec=15N NOESY, no=177, id=173
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG23) 2.543 0.776 0.776 ! spec=15N NOESY, no=177, id=173
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG12) 2.593 2.593 3.407 ! spec=15N NOESY, no=178, id=174
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG11) 2.593 2.593 3.407 ! spec=15N NOESY, no=178, id=174
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name HG13) 2.593 2.593 3.407 ! spec=15N NOESY, no=178, id=174
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   93 and name  HG2) 3.758 1.695 1.695 ! spec=15N NOESY, no=179, id=175
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HH2) 3.610 1.564 1.564 ! spec=15N NOESY, no=180, id=176
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  105 and name   HN) 3.499 1.469 1.469 ! spec=15N NOESY, no=182, id=178
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   12 and name   HN) 3.739 1.678 1.678 ! spec=15N NOESY, no=183, id=179
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  123 and name   HB) 2.664 0.852 0.852 ! spec=15N NOESY, no=189, id=185
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  105 and name  HB1) 3.939 1.862 1.862 ! spec=15N NOESY, no=190, id=186
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  105 and name  HB2) 3.798 1.731 1.731 ! spec=15N NOESY, no=191, id=187
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid    8 and name  HB1) 3.916 1.841 1.841 ! spec=15N NOESY, no=192, id=188
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid    8 and name  HB2) 3.678 1.624 1.624 ! spec=15N NOESY, no=193, id=189
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  123 and name HG21) 2.864 2.864 3.136 ! spec=15N NOESY, no=197, id=193
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  123 and name HG22) 2.864 2.864 3.136 ! spec=15N NOESY, no=197, id=193
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  123 and name HG23) 2.864 2.864 3.136 ! spec=15N NOESY, no=197, id=193
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   50 and name   HN) 3.951 1.873 1.873 ! spec=15N NOESY, no=206, id=197
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  135 and name   HN) 2.964 1.054 1.054 ! spec=15N NOESY, no=207, id=198
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  136 and name   HN) 3.095 1.149 1.149 ! spec=15N NOESY, no=208, id=199
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  135 and name   HA) 2.463 0.728 0.728 ! spec=15N NOESY, no=210, id=201
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   50 and name   HB) 3.337 1.336 1.336 ! spec=15N NOESY, no=211, id=202
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HE2) 3.409 1.394 1.394 ! spec=15N NOESY, no=212, id=203
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   49 and name  HB2) 3.709 3.709 2.291 ! spec=15N NOESY, no=213, id=204
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HB2) 2.276 0.621 0.621 ! spec=15N NOESY, no=215, id=206
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   50 and name HG21) 3.631 1.582 1.582 ! spec=15N NOESY, no=217, id=208
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   50 and name HG22) 3.631 1.582 1.582 ! spec=15N NOESY, no=217, id=208
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid   50 and name HG23) 3.631 1.582 1.582 ! spec=15N NOESY, no=217, id=208
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG12) 3.001 3.001 2.999 ! spec=15N NOESY, no=218, id=209
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG11) 3.001 3.001 2.999 ! spec=15N NOESY, no=218, id=209
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG13) 3.001 3.001 2.999 ! spec=15N NOESY, no=218, id=209
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   54 and name   HN) 2.660 0.849 0.849 ! spec=15N NOESY, no=219, id=210
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  129 and name   HA) 2.990 1.073 1.073 ! spec=15N NOESY, no=224, id=215
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  128 and name   HA) 2.767 0.919 0.919 ! spec=15N NOESY, no=226, id=217
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name   HA) 3.877 1.803 1.803 ! spec=15N NOESY, no=227, id=218
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  129 and name  HB1) 2.680 0.862 0.862 ! spec=15N NOESY, no=228, id=219
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  129 and name  HB2) 2.784 0.930 0.930 ! spec=15N NOESY, no=229, id=220
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name   HB) 3.003 1.082 1.082 ! spec=15N NOESY, no=230, id=221
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  128 and name HG22) 2.644 0.839 0.839 ! spec=15N NOESY, no=236, id=227
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  128 and name HG21) 2.644 0.839 0.839 ! spec=15N NOESY, no=236, id=227
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  128 and name HG23) 2.644 0.839 0.839 ! spec=15N NOESY, no=236, id=227
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  109 and name  HD1) 3.862 1.790 1.790 ! spec=15N NOESY, no=240, id=231
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  105 and name   HA) 3.000 1.080 1.080 ! spec=15N NOESY, no=243, id=234
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  106 and name  HA1) 2.940 1.038 1.038 ! spec=15N NOESY, no=244, id=235
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   84 and name  HG1) 3.491 1.462 1.462 ! spec=15N NOESY, no=247, id=238
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name  HB1) 2.925 1.027 1.027 ! spec=15N NOESY, no=249, id=240
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name  HB2) 3.227 1.249 1.249 ! spec=15N NOESY, no=250, id=241
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  103 and name HG12) 2.865 0.985 0.985 ! spec=15N NOESY, no=252, id=243
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  103 and name HG11) 2.865 0.985 0.985 ! spec=15N NOESY, no=252, id=243
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  103 and name HG13) 2.865 0.985 0.985 ! spec=15N NOESY, no=252, id=243
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG22) 2.805 2.805 3.195 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG21) 2.805 2.805 3.195 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG23) 2.805 2.805 3.195 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name   HN) 3.177 1.211 1.211 ! spec=15N NOESY, no=255, id=246
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  100 and name   HA) 2.854 0.978 0.978 ! spec=15N NOESY, no=258, id=249
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  126 and name  HB1) 3.243 1.262 1.262 ! spec=15N NOESY, no=261, id=252
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  128 and name HG11) 2.359 0.668 0.668 ! spec=15N NOESY, no=263, id=254
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  128 and name HG12) 3.088 1.144 1.144 ! spec=15N NOESY, no=268, id=259
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  128 and name HD12) 3.017 1.092 1.092 ! spec=15N NOESY, no=269, id=260
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  128 and name HD11) 3.017 1.092 1.092 ! spec=15N NOESY, no=269, id=260
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  128 and name HD13) 3.017 1.092 1.092 ! spec=15N NOESY, no=269, id=260
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  126 and name  HD1) 3.314 1.318 1.318 ! spec=15N NOESY, no=272, id=263
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   55 and name   HA) 3.157 1.196 1.196 ! spec=15N NOESY, no=273, id=264
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name   HA) 2.884 0.998 0.998 ! spec=15N NOESY, no=275, id=266
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   55 and name  HB2) 3.471 1.446 1.446 ! spec=15N NOESY, no=277, id=268
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  126 and name  HB1) 2.879 0.994 0.994 ! spec=15N NOESY, no=278, id=269
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  126 and name  HB2) 3.192 1.222 1.222 ! spec=15N NOESY, no=279, id=270
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   57 and name  HA1) 3.227 1.250 1.250 ! spec=15N NOESY, no=280, id=271
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name HG12) 3.548 1.510 1.510 ! spec=15N NOESY, no=283, id=274
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   55 and name  HD1) 3.381 1.372 1.372 ! spec=15N NOESY, no=286, id=277
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  100 and name   HA) 3.511 1.480 1.480 ! spec=15N NOESY, no=287, id=278
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name   HN) 2.812 0.949 0.949 ! spec=15N NOESY, no=289, id=280
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   52 and name   HA) 3.284 1.294 1.294 ! spec=15N NOESY, no=303, id=294
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  126 and name  HD1) 3.553 3.553 2.447 ! spec=15N NOESY, no=304, id=295
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name   HA) 3.575 1.533 1.533 ! spec=15N NOESY, no=305, id=296
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   66 and name   HN) 2.992 2.992 3.008 ! spec=15N NOESY, no=309, id=300
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   65 and name   HZ) 3.329 1.330 1.330 ! spec=15N NOESY, no=310, id=301
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HA2) 2.888 1.001 1.001 ! spec=15N NOESY, no=314, id=305
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HD2) 3.394 1.382 1.382 ! spec=15N NOESY, no=315, id=306
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  127 and name  HE2) 3.532 1.497 1.497 ! spec=15N NOESY, no=317, id=308
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HG22) 3.113 1.163 1.163 ! spec=15N NOESY, no=320, id=311
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HG21) 3.113 1.163 1.163 ! spec=15N NOESY, no=320, id=311
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HG23) 3.113 1.163 1.163 ! spec=15N NOESY, no=320, id=311
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name   HN) 3.465 1.441 1.441 ! spec=15N NOESY, no=322, id=313
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   49 and name   HN) 3.463 1.439 1.439 ! spec=15N NOESY, no=326, id=317
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name   HA) 3.278 1.290 1.290 ! spec=15N NOESY, no=328, id=319
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   80 and name  HB1) 3.876 1.803 1.803 ! spec=15N NOESY, no=331, id=322
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   49 and name  HB2) 3.733 1.672 1.672 ! spec=15N NOESY, no=335, id=326
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name   HB) 2.485 0.741 0.741 ! spec=15N NOESY, no=336, id=327
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HN) 2.900 1.009 1.009 ! spec=15N NOESY, no=342, id=333
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HN) 3.015 3.015 2.985 ! spec=15N NOESY, no=343, id=334
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   33 and name   HA) 3.112 1.162 1.162 ! spec=15N NOESY, no=344, id=335
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.760 0.914 0.914 ! spec=15N NOESY, no=345, id=336
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   33 and name  HG1) 3.888 1.814 1.814 ! spec=15N NOESY, no=350, id=341
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG22) 2.177 2.177 3.823 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG21) 2.177 2.177 3.823 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG23) 2.177 2.177 3.823 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HB) 2.865 2.865 3.135 ! spec=15N NOESY, no=356, id=347
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HA) 3.023 3.023 2.977 ! spec=15N NOESY, no=359, id=350
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name  HB2) 3.496 1.467 1.467 ! spec=15N NOESY, no=361, id=352
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HB1) 2.811 0.948 0.948 ! spec=15N NOESY, no=362, id=353
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name   HN) 3.381 1.372 1.372 ! spec=15N NOESY, no=365, id=356
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HD1) 2.979 1.065 1.065 ! spec=15N NOESY, no=367, id=358
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   66 and name  HB1) 3.537 1.501 1.501 ! spec=15N NOESY, no=371, id=362
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB1) 3.277 1.289 1.289 ! spec=15N NOESY, no=372, id=363
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB2) 3.110 1.161 1.161 ! spec=15N NOESY, no=374, id=365
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  124 and name   HN) 3.308 1.313 1.313 ! spec=15N NOESY, no=378, id=369
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name   HN) 3.035 1.105 1.105 ! spec=15N NOESY, no=382, id=373
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  102 and name  HD1) 3.262 1.277 1.277 ! spec=15N NOESY, no=384, id=375
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name   HA) 2.469 2.469 3.531 ! spec=15N NOESY, no=385, id=376
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  103 and name   HA) 2.968 1.057 1.057 ! spec=15N NOESY, no=386, id=377
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  104 and name  HD2) 3.638 1.588 1.588 ! spec=15N NOESY, no=387, id=378
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  102 and name  HB1) 3.408 1.394 1.394 ! spec=15N NOESY, no=388, id=379
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  102 and name  HB2) 3.093 1.148 1.148 ! spec=15N NOESY, no=389, id=380
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  103 and name   HB) 2.711 0.882 0.882 ! spec=15N NOESY, no=390, id=381
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name  HB1) 3.337 1.336 1.336 ! spec=15N NOESY, no=392, id=383
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  102 and name   HN) 3.458 1.435 1.435 ! spec=15N NOESY, no=398, id=389
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   35 and name   HN) 3.236 3.236 2.764 ! spec=15N NOESY, no=399, id=390
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   15 and name  HE1) 3.170 3.170 2.830 ! spec=15N NOESY, no=402, id=393
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name  HD1) 2.658 0.848 0.848 ! spec=15N NOESY, no=403, id=394
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name   HA) 3.076 1.135 1.135 ! spec=15N NOESY, no=407, id=398
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  103 and name   HA) 3.751 1.689 1.689 ! spec=15N NOESY, no=408, id=399
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name   HA) 3.610 1.564 1.564 ! spec=15N NOESY, no=409, id=400
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name  HB1) 3.025 1.098 1.098 ! spec=15N NOESY, no=410, id=401
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   34 and name  HB2) 3.051 3.051 2.949 ! spec=15N NOESY, no=411, id=402
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   34 and name  HB1) 3.051 3.051 2.949 ! spec=15N NOESY, no=411, id=402
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name  HB2) 2.921 1.024 1.024 ! spec=15N NOESY, no=412, id=403
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   33 and name  HG2) 3.124 1.171 1.171 ! spec=15N NOESY, no=413, id=404
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name   HB) 2.602 0.812 0.812 ! spec=15N NOESY, no=414, id=405
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD22) 2.882 0.997 0.997 ! spec=15N NOESY, no=417, id=408
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD21) 2.882 0.997 0.997 ! spec=15N NOESY, no=417, id=408
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD23) 2.882 0.997 0.997 ! spec=15N NOESY, no=417, id=408
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG12) 2.618 0.822 0.822 ! spec=15N NOESY, no=419, id=410
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD12) 3.171 3.171 2.829 ! spec=15N NOESY, no=422, id=413
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD11) 3.171 3.171 2.829 ! spec=15N NOESY, no=422, id=413
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD13) 3.171 3.171 2.829 ! spec=15N NOESY, no=422, id=413
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   18 and name   HN) 3.664 3.664 2.336 ! spec=15N NOESY, no=426, id=417
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  103 and name   HA) 2.334 2.334 3.666 ! spec=15N NOESY, no=428, id=419
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  123 and name HG21) 2.324 0.648 0.648 ! spec=15N NOESY, no=433, id=424
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  123 and name HG22) 2.324 0.648 0.648 ! spec=15N NOESY, no=433, id=424
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  123 and name HG23) 2.324 0.648 0.648 ! spec=15N NOESY, no=433, id=424
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name HD12) 2.841 0.969 0.969 ! spec=15N NOESY, no=434, id=425
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name HD11) 2.841 0.969 0.969 ! spec=15N NOESY, no=434, id=425
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name HD13) 2.841 0.969 0.969 ! spec=15N NOESY, no=434, id=425
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   16 and name   HN) 2.947 1.042 1.042 ! spec=15N NOESY, no=436, id=427
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name  HB2) 3.106 3.106 2.894 ! spec=15N NOESY, no=437, id=428
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 2.273 0.620 0.620 ! spec=15N NOESY, no=440, id=431
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   10 and name   HA) 2.911 1.017 1.017 ! spec=15N NOESY, no=442, id=433
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  136 and name   HN) 2.491 2.491 3.509 ! spec=15N NOESY, no=445, id=436
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  137 and name  HB2) 2.105 0.532 0.532 ! spec=15N NOESY, no=447, id=438
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HE1) 3.952 1.875 1.875 ! spec=15N NOESY, no=448, id=439
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HE2) 3.611 1.564 1.564 ! spec=15N NOESY, no=449, id=440
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HB2) 2.642 0.838 0.838 ! spec=15N NOESY, no=450, id=441
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HG2) 2.867 2.867 3.133 ! spec=15N NOESY, no=452, id=443
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HG1) 2.867 2.867 3.133 ! spec=15N NOESY, no=452, id=443
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  134 and name  HG2) 3.894 1.820 1.820 ! spec=15N NOESY, no=453, id=444
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   55 and name   HA) 3.406 1.392 1.392 ! spec=15N NOESY, no=456, id=446
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HB) 3.117 1.166 1.166 ! spec=15N NOESY, no=461, id=451
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   67 and name  HB2) 2.898 2.898 3.102 ! spec=15N NOESY, no=465, id=455
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB1) 2.334 0.654 0.654 ! spec=15N NOESY, no=467, id=457
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid  100 and name   HN) 3.401 1.388 1.388 ! spec=15N NOESY, no=469, id=458
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   38 and name   HN) 3.493 3.493 2.507 ! spec=15N NOESY, no=470, id=459
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid  100 and name   HN) 2.959 1.050 1.050 ! spec=15N NOESY, no=471, id=460
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   99 and name  HD1) 3.073 3.073 2.927 ! spec=15N NOESY, no=472, id=461
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   34 and name   HA) 3.143 3.143 2.857 ! spec=15N NOESY, no=473, id=462
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  100 and name   HA) 2.961 1.052 1.052 ! spec=15N NOESY, no=475, id=464
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  127 and name   HA) 3.426 1.408 1.408 ! spec=15N NOESY, no=476, id=465
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name   HA) 3.709 1.651 1.651 ! spec=15N NOESY, no=477, id=466
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   36 and name   HA) 2.983 1.068 1.068 ! spec=15N NOESY, no=480, id=469
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   99 and name  HB1) 2.695 0.871 0.871 ! spec=15N NOESY, no=481, id=470
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  100 and name  HB2) 2.599 0.811 0.811 ! spec=15N NOESY, no=485, id=474
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HG12) 2.704 0.878 0.878 ! spec=15N NOESY, no=486, id=475
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG22) 2.763 2.763 3.237 ! spec=15N NOESY, no=488, id=477
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG21) 2.763 2.763 3.237 ! spec=15N NOESY, no=488, id=477
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG23) 2.763 2.763 3.237 ! spec=15N NOESY, no=488, id=477
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name   HN) 3.344 1.342 1.342 ! spec=15N NOESY, no=492, id=479
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HN) 1.921 1.921 4.079 ! spec=15N NOESY, no=493, id=480
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 2.065 0.512 0.512 ! spec=15N NOESY, no=495, id=482
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HE2) 3.041 3.041 2.959 ! spec=15N NOESY, no=498, id=485
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HE1) 3.041 3.041 2.959 ! spec=15N NOESY, no=498, id=485
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   94 and name  HB1) 3.687 3.687 2.313 ! spec=15N NOESY, no=499, id=486
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HB) 2.280 2.280 3.720 ! spec=15N NOESY, no=500, id=487
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB2) 2.343 2.343 3.657 ! spec=15N NOESY, no=502, id=489
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name   HN) 2.887 1.000 1.000 ! spec=15N NOESY, no=506, id=492
assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  113 and name   HA) 2.745 0.904 0.904 ! spec=15N NOESY, no=509, id=495
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB2) 2.261 0.613 0.613 ! spec=15N NOESY, no=513, id=499
assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  114 and name   HB) 2.890 1.002 1.002 ! spec=15N NOESY, no=516, id=502
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   47 and name  HG2) 3.388 1.377 1.377 ! spec=15N NOESY, no=517, id=503
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  118 and name HG11) 2.685 0.865 0.865 ! spec=15N NOESY, no=518, id=504
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name   HN) 3.317 1.320 1.320 ! spec=15N NOESY, no=521, id=507
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 1.883 1.883 4.117 ! spec=15N NOESY, no=522, id=508
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name HD21) 3.787 1.721 1.721 ! spec=15N NOESY, no=524, id=510
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name   HA) 2.560 0.787 0.787 ! spec=15N NOESY, no=525, id=511
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB2) 2.484 0.741 0.741 ! spec=15N NOESY, no=530, id=516
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   32 and name   HN) 3.244 1.263 1.263 ! spec=15N NOESY, no=531, id=517
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   33 and name HE22) 2.954 2.954 3.046 ! spec=15N NOESY, no=533, id=519
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HA) 2.580 2.580 3.420 ! spec=15N NOESY, no=534, id=520
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB1) 2.408 0.696 0.696 ! spec=15N NOESY, no=537, id=523
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HN) 3.485 1.457 1.457 ! spec=15N NOESY, no=540, id=526
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   18 and name   HA) 3.364 1.358 1.358 ! spec=15N NOESY, no=541, id=527
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 3.177 1.211 1.211 ! spec=15N NOESY, no=543, id=529
! violated assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB1) 2.320 0.646 0.646 ! spec=15N NOESY, no=550, id=536
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  109 and name  HE1) 3.680 1.626 1.626 ! spec=15N NOESY, no=555, id=541
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  124 and name HD22) 3.714 1.656 1.656 ! spec=15N NOESY, no=557, id=543
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  124 and name HD21) 3.714 1.656 1.656 ! spec=15N NOESY, no=557, id=543
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  124 and name HD23) 3.714 1.656 1.656 ! spec=15N NOESY, no=557, id=543
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG12) 3.563 1.524 1.524 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG11) 3.563 1.524 1.524 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG13) 3.563 1.524 1.524 ! spec=15N NOESY, no=558, id=544
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  108 and name   HN) 3.448 1.427 1.427 ! spec=15N NOESY, no=559, id=545
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  109 and name  HD1) 3.000 1.080 1.080 ! spec=15N NOESY, no=560, id=546
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  108 and name   HA) 3.319 1.322 1.322 ! spec=15N NOESY, no=562, id=548
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  105 and name   HA) 3.489 1.460 1.460 ! spec=15N NOESY, no=563, id=549
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HB1) 3.708 1.650 1.650 ! spec=15N NOESY, no=567, id=553
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HN) 2.954 1.047 1.047 ! spec=15N NOESY, no=568, id=554
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name   HA) 3.378 1.369 1.369 ! spec=15N NOESY, no=572, id=557
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HG2) 3.102 1.155 1.155 ! spec=15N NOESY, no=578, id=563
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB1) 2.751 0.908 0.908 ! spec=15N NOESY, no=583, id=568
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1) 2.373 0.675 0.675 ! spec=15N NOESY, no=585, id=570
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HN) 3.608 1.562 1.562 ! spec=15N NOESY, no=586, id=571
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    6 and name   HN) 3.695 1.638 1.638 ! spec=15N NOESY, no=587, id=572
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name   HA) 3.859 1.787 1.787 ! spec=15N NOESY, no=588, id=573
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB2) 2.342 0.658 0.658 ! spec=15N NOESY, no=591, id=576
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    8 and name   HN) 3.511 1.479 1.479 ! spec=15N NOESY, no=592, id=577
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   34 and name   HN) 3.153 1.193 1.193 ! spec=15N NOESY, no=593, id=578
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   33 and name   HN) 2.936 1.035 1.035 ! spec=15N NOESY, no=594, id=579
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HE22) 3.423 1.406 1.406 ! spec=15N NOESY, no=595, id=580
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HE21) 3.142 1.184 1.184 ! spec=15N NOESY, no=596, id=581
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid  104 and name  HD2) 3.224 1.247 1.247 ! spec=15N NOESY, no=598, id=583
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   39 and name   HN) 3.823 1.754 1.754 ! spec=15N NOESY, no=603, id=588
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   98 and name   HN) 3.573 1.532 1.532 ! spec=15N NOESY, no=604, id=589
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG22) 2.776 0.925 0.925 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG21) 2.776 0.925 0.925 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG23) 2.776 0.925 0.925 ! spec=15N NOESY, no=611, id=596
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HN) 2.322 0.647 0.647 ! spec=15N NOESY, no=613, id=598
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HA) 2.517 2.517 3.483 ! spec=15N NOESY, no=614, id=599
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HB2) 2.211 0.587 0.587 ! spec=15N NOESY, no=616, id=601
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB1) 2.177 0.569 0.569 ! spec=15N NOESY, no=618, id=603
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HN) 2.856 0.979 0.979 ! spec=15N NOESY, no=619, id=604
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA) 2.292 0.630 0.630 ! spec=15N NOESY, no=621, id=606
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    5 and name  HB1) 2.740 2.740 3.260 ! spec=15N NOESY, no=622, id=607
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name   HN) 2.855 0.978 0.978 ! spec=15N NOESY, no=624, id=608
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  126 and name   HN) 3.155 1.194 1.194 ! spec=15N NOESY, no=625, id=609
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   18 and name   HN) 3.049 1.116 1.116 ! spec=15N NOESY, no=628, id=612
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HD1) 2.510 0.756 0.756 ! spec=15N NOESY, no=629, id=613
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid   65 and name  HE1) 3.011 1.088 1.088 ! spec=15N NOESY, no=630, id=614
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid   65 and name   HZ) 3.420 1.403 1.403 ! spec=15N NOESY, no=632, id=616
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  124 and name   HA) 2.384 0.682 0.682 ! spec=15N NOESY, no=633, id=617
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB2) 2.724 0.890 0.890 ! spec=15N NOESY, no=637, id=621
! violated assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  124 and name  HB2) 2.482 0.739 0.739 ! spec=15N NOESY, no=641, id=625
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD12) 2.455 0.724 0.724 ! spec=15N NOESY, no=643, id=627
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD11) 2.455 0.724 0.724 ! spec=15N NOESY, no=643, id=627
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD13) 2.455 0.724 0.724 ! spec=15N NOESY, no=643, id=627
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 3.571 1.530 1.530 ! spec=15N NOESY, no=645, id=629
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid    9 and name   HA) 2.621 2.621 3.379 ! spec=15N NOESY, no=646, id=630
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   11 and name   HA) 2.310 2.310 3.690 ! spec=15N NOESY, no=647, id=631
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name   HA) 2.555 0.783 0.783 ! spec=15N NOESY, no=648, id=632
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   15 and name  HB2) 3.510 1.479 1.479 ! spec=15N NOESY, no=649, id=633
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name   HA) 2.559 0.786 0.786 ! spec=15N NOESY, no=658, id=642
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name  HB2) 2.660 0.849 0.849 ! spec=15N NOESY, no=660, id=644
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HB2) 2.493 0.746 0.746 ! spec=15N NOESY, no=663, id=647
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HN) 2.363 0.670 0.670 ! spec=15N NOESY, no=666, id=650
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    8 and name   HA) 2.730 0.894 0.894 ! spec=15N NOESY, no=667, id=651
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HA) 2.710 0.881 0.881 ! spec=15N NOESY, no=670, id=654
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB1) 2.317 0.644 0.644 ! spec=15N NOESY, no=674, id=658
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD1) 2.318 0.645 0.645 ! spec=15N NOESY, no=675, id=659
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   45 and name  HD1) 3.660 1.607 1.607 ! spec=15N NOESY, no=677, id=661
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name   HN) 2.729 0.893 0.893 ! spec=15N NOESY, no=679, id=663
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   76 and name   HA) 2.263 0.615 0.615 ! spec=15N NOESY, no=681, id=665
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   52 and name   HA) 2.834 0.964 0.964 ! spec=15N NOESY, no=682, id=666
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name   HA) 2.982 1.067 1.067 ! spec=15N NOESY, no=684, id=668
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG21) 2.206 2.206 3.794 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG22) 2.206 2.206 3.794 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG23) 2.206 2.206 3.794 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG12) 2.670 2.670 3.330 ! spec=15N NOESY, no=695, id=679
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG11) 2.670 2.670 3.330 ! spec=15N NOESY, no=695, id=679
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG13) 2.670 2.670 3.330 ! spec=15N NOESY, no=695, id=679
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HD2) 2.663 0.851 0.851 ! spec=15N NOESY, no=707, id=691
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name  HB2) 3.737 1.676 1.676 ! spec=15N NOESY, no=708, id=692
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB1) 3.165 3.165 2.835 ! spec=15N NOESY, no=711, id=695
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG21) 2.566 2.566 3.434 ! spec=15N NOESY, no=716, id=700
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG22) 2.566 2.566 3.434 ! spec=15N NOESY, no=716, id=700
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG23) 2.566 2.566 3.434 ! spec=15N NOESY, no=716, id=700
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.863 2.863 3.137 ! spec=15N NOESY, no=717, id=701
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   25 and name   HN) 3.953 1.875 1.875 ! spec=15N NOESY, no=718, id=702
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   22 and name   HA) 3.566 3.566 2.434 ! spec=15N NOESY, no=720, id=704
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HA) 2.331 0.652 0.652 ! spec=15N NOESY, no=722, id=706
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   19 and name HD21) 3.760 3.760 2.240 ! spec=15N NOESY, no=725, id=709
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HB) 2.134 0.547 0.547 ! spec=15N NOESY, no=726, id=710
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG12) 2.119 0.539 0.539 ! spec=15N NOESY, no=728, id=712
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG11) 2.119 0.539 0.539 ! spec=15N NOESY, no=728, id=712
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name HG13) 2.119 0.539 0.539 ! spec=15N NOESY, no=728, id=712
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HB) 3.781 1.716 1.716 ! spec=15N NOESY, no=729, id=713
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name   HN) 2.792 0.935 0.935 ! spec=15N NOESY, no=730, id=714
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  102 and name  HD1) 3.349 1.346 1.346 ! spec=15N NOESY, no=735, id=719
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid   86 and name  HD1) 3.874 1.801 1.801 ! spec=15N NOESY, no=737, id=721
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  126 and name   HA) 2.978 1.064 1.064 ! spec=15N NOESY, no=738, id=722
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  100 and name   HA) 3.364 1.358 1.358 ! spec=15N NOESY, no=739, id=723
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name   HA) 2.348 0.661 0.661 ! spec=15N NOESY, no=740, id=724
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  126 and name  HB1) 3.009 1.087 1.087 ! spec=15N NOESY, no=741, id=725
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  126 and name  HB2) 2.950 1.044 1.044 ! spec=15N NOESY, no=742, id=726
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HG11) 2.967 1.057 1.057 ! spec=15N NOESY, no=745, id=729
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG12) 2.634 0.833 0.833 ! spec=15N NOESY, no=746, id=730
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD12) 3.053 3.053 2.947 ! spec=15N NOESY, no=748, id=732
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD11) 3.053 3.053 2.947 ! spec=15N NOESY, no=748, id=732
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD13) 3.053 3.053 2.947 ! spec=15N NOESY, no=748, id=732
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  128 and name HD12) 3.423 3.423 2.577 ! spec=15N NOESY, no=749, id=733
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  128 and name HD11) 3.423 3.423 2.577 ! spec=15N NOESY, no=749, id=733
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  128 and name HD13) 3.423 3.423 2.577 ! spec=15N NOESY, no=749, id=733
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  132 and name  HB1) 2.175 0.568 0.568 ! spec=15N NOESY, no=754, id=738
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name   HB) 2.326 0.649 0.649 ! spec=15N NOESY, no=755, id=739
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HD1) 2.967 1.056 1.056 ! spec=15N NOESY, no=760, id=744
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  112 and name  HG2) 2.469 0.732 0.732 ! spec=15N NOESY, no=766, id=750
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   22 and name   HN) 3.195 3.195 2.805 ! spec=15N NOESY, no=769, id=753
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name   HN) 3.469 1.444 1.444 ! spec=15N NOESY, no=771, id=755
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HE22) 3.497 1.467 1.467 ! spec=15N NOESY, no=773, id=757
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name   HN) 2.481 0.739 0.739 ! spec=15N NOESY, no=775, id=759
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   80 and name  HB1) 3.268 1.282 1.282 ! spec=15N NOESY, no=780, id=764
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   80 and name  HB2) 3.196 1.226 1.226 ! spec=15N NOESY, no=781, id=765
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   77 and name  HB2) 3.519 1.486 1.486 ! spec=15N NOESY, no=783, id=767
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG22) 2.821 2.821 3.179 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG21) 2.821 2.821 3.179 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG23) 2.821 2.821 3.179 ! spec=15N NOESY, no=788, id=772
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG12) 3.136 3.136 2.864 ! spec=15N NOESY, no=789, id=773
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG11) 3.136 3.136 2.864 ! spec=15N NOESY, no=789, id=773
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG13) 3.136 3.136 2.864 ! spec=15N NOESY, no=789, id=773
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   81 and name   HN) 3.464 1.440 1.440 ! spec=15N NOESY, no=790, id=774
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name   HB) 3.809 1.741 1.741 ! spec=15N NOESY, no=791, id=775
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  113 and name   HA) 3.975 1.896 1.896 ! spec=15N NOESY, no=794, id=778
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  121 and name   HA) 2.972 1.060 1.060 ! spec=15N NOESY, no=796, id=780
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  105 and name  HB1) 3.375 1.367 1.367 ! spec=15N NOESY, no=797, id=781
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name  HB2) 2.710 0.881 0.881 ! spec=15N NOESY, no=798, id=782
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HN) 2.474 0.735 0.735 ! spec=15N NOESY, no=799, id=783
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   55 and name   HA) 3.152 3.152 2.848 ! spec=15N NOESY, no=800, id=784
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name   HA) 2.392 0.687 0.687 ! spec=15N NOESY, no=801, id=785
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name   HB) 2.912 1.018 1.018 ! spec=15N NOESY, no=802, id=786
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HB2) 2.989 1.072 1.072 ! spec=15N NOESY, no=805, id=789
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   70 and name  HB2) 3.213 1.239 1.239 ! spec=15N NOESY, no=807, id=791
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG21) 2.427 2.427 3.573 ! spec=15N NOESY, no=808, id=792
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG22) 2.427 2.427 3.573 ! spec=15N NOESY, no=808, id=792
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG23) 2.427 2.427 3.573 ! spec=15N NOESY, no=808, id=792
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name   HA) 2.813 0.950 0.950 ! spec=15N NOESY, no=810, id=794
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name   HA) 2.952 2.952 3.048 ! spec=15N NOESY, no=811, id=795
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name   HB) 2.432 0.710 0.710 ! spec=15N NOESY, no=812, id=796
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   72 and name  HA1) 2.350 0.663 0.663 ! spec=15N NOESY, no=814, id=798
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name  HD2) 2.968 2.968 3.032 ! spec=15N NOESY, no=815, id=799
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB2) 2.248 0.607 0.607 ! spec=15N NOESY, no=818, id=802
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HG2) 2.312 0.642 0.642 ! spec=15N NOESY, no=819, id=803
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HN) 2.929 1.030 1.030 ! spec=15N NOESY, no=820, id=804
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name   HA) 3.287 1.297 1.297 ! spec=15N NOESY, no=822, id=806
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   70 and name  HG2) 3.707 1.649 1.649 ! spec=15N NOESY, no=823, id=807
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name  HD1) 2.922 1.025 1.025 ! spec=15N NOESY, no=826, id=810
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   76 and name   HA) 3.646 3.646 2.354 ! spec=15N NOESY, no=827, id=811
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name   HA) 3.002 1.081 1.081 ! spec=15N NOESY, no=828, id=812
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB1) 2.753 0.910 0.910 ! spec=15N NOESY, no=833, id=817
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG12) 3.491 3.491 2.509 ! spec=15N NOESY, no=837, id=821
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG11) 3.491 3.491 2.509 ! spec=15N NOESY, no=837, id=821
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG13) 3.491 3.491 2.509 ! spec=15N NOESY, no=837, id=821
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 2.572 0.794 0.794 ! spec=15N NOESY, no=838, id=822
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name   HN) 3.426 1.408 1.408 ! spec=15N NOESY, no=839, id=823
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HD1) 2.545 2.545 3.455 ! spec=15N NOESY, no=840, id=824
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   11 and name   HA) 2.224 2.224 3.776 ! spec=15N NOESY, no=841, id=825
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   12 and name  HA1) 2.961 1.052 1.052 ! spec=15N NOESY, no=842, id=826
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB2) 2.304 0.637 0.637 ! spec=15N NOESY, no=844, id=828
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid    8 and name  HB1) 3.826 1.757 1.757 ! spec=15N NOESY, no=845, id=829
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name  HB1) 2.857 0.979 0.979 ! spec=15N NOESY, no=847, id=831
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   57 and name   HN) 2.815 0.951 0.951 ! spec=15N NOESY, no=852, id=836
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name   HN) 2.788 2.788 3.212 ! spec=15N NOESY, no=853, id=837
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   66 and name   HN) 2.369 0.673 0.673 ! spec=15N NOESY, no=854, id=838
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name   HA) 2.774 0.923 0.923 ! spec=15N NOESY, no=858, id=842
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HA) 2.890 1.002 1.002 ! spec=15N NOESY, no=859, id=843
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   57 and name  HA2) 3.410 1.395 1.395 ! spec=15N NOESY, no=860, id=844
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name   HA) 2.668 0.854 0.854 ! spec=15N NOESY, no=861, id=845
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB1) 2.856 0.979 0.979 ! spec=15N NOESY, no=863, id=847
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB1) 3.299 1.306 1.306 ! spec=15N NOESY, no=864, id=848
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name   HB) 3.154 1.194 1.194 ! spec=15N NOESY, no=867, id=851
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name HG12) 2.294 0.632 0.632 ! spec=15N NOESY, no=870, id=854
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name HG11) 2.294 0.632 0.632 ! spec=15N NOESY, no=870, id=854
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name HG13) 2.294 0.632 0.632 ! spec=15N NOESY, no=870, id=854
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  102 and name  HD1) 3.135 3.135 2.865 ! spec=15N NOESY, no=871, id=855
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  102 and name  HE1) 2.787 0.932 0.932 ! spec=15N NOESY, no=872, id=856
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HA) 2.475 0.735 0.735 ! spec=15N NOESY, no=873, id=857
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 3.004 1.083 1.083 ! spec=15N NOESY, no=875, id=859
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   25 and name   HA) 3.565 1.526 1.526 ! spec=15N NOESY, no=876, id=860
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HB2) 2.491 0.744 0.744 ! spec=15N NOESY, no=877, id=861
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HB1) 2.491 0.744 0.744 ! spec=15N NOESY, no=877, id=861
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB2) 2.720 0.888 0.888 ! spec=15N NOESY, no=879, id=863
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  101 and name HG22) 2.749 2.749 3.251 ! spec=15N NOESY, no=881, id=865
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  101 and name HG21) 2.749 2.749 3.251 ! spec=15N NOESY, no=881, id=865
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid  101 and name HG23) 2.749 2.749 3.251 ! spec=15N NOESY, no=881, id=865
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  122 and name  HB2) 2.949 1.043 1.043 ! spec=15N NOESY, no=886, id=870
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name   HB) 3.169 1.205 1.205 ! spec=15N NOESY, no=887, id=871
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   50 and name   HN) 3.025 1.098 1.098 ! spec=15N NOESY, no=890, id=874
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   49 and name   HN) 3.327 3.327 2.673 ! spec=15N NOESY, no=892, id=876
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   49 and name   HA) 2.864 0.984 0.984 ! spec=15N NOESY, no=893, id=877
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   74 and name   HA) 3.011 1.088 1.088 ! spec=15N NOESY, no=894, id=878
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name   HA) 1.861 0.416 0.416 ! spec=15N NOESY, no=895, id=879
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  136 and name  HB2) 2.029 0.494 0.494 ! spec=15N NOESY, no=896, id=880
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  136 and name  HB1) 2.029 0.494 0.494 ! spec=15N NOESY, no=896, id=880
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   49 and name  HB2) 2.911 2.911 3.089 ! spec=15N NOESY, no=899, id=883
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB2) 2.371 0.675 0.675 ! spec=15N NOESY, no=900, id=884
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HD2) 2.336 0.655 0.655 ! spec=15N NOESY, no=901, id=885
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HG2) 2.508 0.755 0.755 ! spec=15N NOESY, no=902, id=886
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HG1) 2.508 0.755 0.755 ! spec=15N NOESY, no=902, id=886
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name   HN) 2.302 0.636 0.636 ! spec=15N NOESY, no=906, id=890
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  103 and name HG12) 2.746 2.746 3.254 ! spec=15N NOESY, no=918, id=902
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  103 and name HG11) 2.746 2.746 3.254 ! spec=15N NOESY, no=918, id=902
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  103 and name HG13) 2.746 2.746 3.254 ! spec=15N NOESY, no=918, id=902
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD12) 2.556 2.556 3.444 ! spec=15N NOESY, no=919, id=903
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD11) 2.556 2.556 3.444 ! spec=15N NOESY, no=919, id=903
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD13) 2.556 2.556 3.444 ! spec=15N NOESY, no=919, id=903
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   52 and name   HN) 3.391 1.380 1.380 ! spec=15N NOESY, no=920, id=904
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   77 and name  HB2) 3.952 1.874 1.874 ! spec=15N NOESY, no=922, id=906
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name   HB) 3.099 1.152 1.152 ! spec=15N NOESY, no=923, id=907
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name   HN) 2.998 1.079 1.079 ! spec=15N NOESY, no=926, id=910
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   77 and name  HD1) 3.469 1.444 1.444 ! spec=15N NOESY, no=928, id=912
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 2.865 0.985 0.985 ! spec=15N NOESY, no=931, id=915
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HB) 3.200 1.228 1.228 ! spec=15N NOESY, no=933, id=917
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   79 and name   HA) 4.006 1.926 1.926 ! spec=15N NOESY, no=934, id=918
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   77 and name  HB1) 3.966 1.887 1.887 ! spec=15N NOESY, no=935, id=919
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   49 and name  HB2) 3.915 1.839 1.839 ! spec=15N NOESY, no=936, id=920
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG22) 2.615 2.615 3.385 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG21) 2.615 2.615 3.385 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG23) 2.615 2.615 3.385 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  105 and name  HB1) 2.740 0.901 0.901 ! spec=15N NOESY, no=942, id=926
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB1) 2.773 0.923 0.923 ! spec=15N NOESY, no=943, id=927
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   91 and name HE22) 3.523 1.490 1.490 ! spec=15N NOESY, no=946, id=930
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   91 and name HE21) 3.677 1.623 1.623 ! spec=15N NOESY, no=947, id=931
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   91 and name   HN) 3.825 1.755 1.755 ! spec=15N NOESY, no=948, id=932
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name   HA) 2.880 0.995 0.995 ! spec=15N NOESY, no=949, id=933
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   89 and name   HN) 2.597 0.809 0.809 ! spec=15N NOESY, no=952, id=936
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 2.556 0.784 0.784 ! spec=15N NOESY, no=964, id=948
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.450 0.720 0.720 ! spec=15N NOESY, no=966, id=950
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB2) 2.136 0.547 0.547 ! spec=15N NOESY, no=970, id=954
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG1) 3.388 1.378 1.378 ! spec=15N NOESY, no=971, id=955
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name   HN) 2.694 0.871 0.871 ! spec=15N NOESY, no=975, id=958
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HD1) 2.876 2.876 3.124 ! spec=15N NOESY, no=976, id=959
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name   HA) 2.584 0.801 0.801 ! spec=15N NOESY, no=977, id=960
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HA) 2.280 0.624 0.624 ! spec=15N NOESY, no=978, id=961
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name   HB) 2.762 2.762 3.238 ! spec=15N NOESY, no=979, id=962
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HA) 2.415 0.700 0.700 ! spec=15N NOESY, no=984, id=967
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  129 and name  HB2) 3.044 1.112 1.112 ! spec=15N NOESY, no=985, id=968
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HB) 2.374 0.676 0.676 ! spec=15N NOESY, no=986, id=969
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD12) 2.774 2.774 3.226 ! spec=15N NOESY, no=989, id=972
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD11) 2.774 2.774 3.226 ! spec=15N NOESY, no=989, id=972
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD13) 2.774 2.774 3.226 ! spec=15N NOESY, no=989, id=972
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HG12) 2.868 0.987 0.987 ! spec=15N NOESY, no=990, id=973
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  105 and name   HA) 2.413 0.699 0.699 ! spec=15N NOESY, no=991, id=974
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name   HN) 2.377 0.678 0.678 ! spec=15N NOESY, no=993, id=976
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    8 and name   HN) 2.684 2.684 3.316 ! spec=15N NOESY, no=994, id=977
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.367 0.672 0.672 ! spec=15N NOESY, no=995, id=978
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HD21) 3.075 1.135 1.135 ! spec=15N NOESY, no=996, id=979
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB1) 2.335 0.654 0.654 ! spec=15N NOESY, no=999, id=982
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.391 2.391 3.609 ! spec=15N NOESY, no=1000, id=983
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB1) 2.323 0.647 0.647 ! spec=15N NOESY, no=1001, id=984
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HD2) 2.885 0.999 0.999 ! spec=15N NOESY, no=1002, id=985
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD22) 2.933 2.933 3.067 ! spec=15N NOESY, no=1004, id=987
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name   HN) 2.295 0.632 0.632 ! spec=15N NOESY, no=1005, id=988
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 2.707 0.879 0.879 ! spec=15N NOESY, no=1008, id=991
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD21) 3.106 3.106 2.894 ! spec=15N NOESY, no=1010, id=993
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB1) 2.395 0.688 0.688 ! spec=15N NOESY, no=1011, id=994
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HG2) 2.846 0.972 0.972 ! spec=15N NOESY, no=1012, id=995
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 2.289 0.629 0.629 ! spec=15N NOESY, no=1014, id=997
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name HD12) 2.987 2.987 3.013 ! spec=15N NOESY, no=1015, id=998
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name HD11) 2.987 2.987 3.013 ! spec=15N NOESY, no=1015, id=998
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name HD13) 2.987 2.987 3.013 ! spec=15N NOESY, no=1015, id=998
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HN) 2.961 2.961 3.039 ! spec=15N NOESY, no=1016, id=999
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   59 and name   HN) 2.906 1.013 1.013 ! spec=15N NOESY, no=1017, id=1000
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   61 and name   HN) 2.887 1.000 1.000 ! spec=15N NOESY, no=1018, id=1001
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HA2) 2.685 0.865 0.865 ! spec=15N NOESY, no=1019, id=1002
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HB) 2.514 0.759 0.759 ! spec=15N NOESY, no=1020, id=1003
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HA1) 2.781 0.928 0.928 ! spec=15N NOESY, no=1021, id=1004
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   59 and name  HB1) 2.755 0.911 0.911 ! spec=15N NOESY, no=1022, id=1005
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG21) 2.544 2.544 3.456 ! spec=15N NOESY, no=1023, id=1006
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG22) 2.544 2.544 3.456 ! spec=15N NOESY, no=1023, id=1006
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG23) 2.544 2.544 3.456 ! spec=15N NOESY, no=1023, id=1006
! violated assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   59 and name HD22) 2.649 0.842 0.842 ! spec=15N NOESY, no=1024, id=1007
! violated assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   59 and name HD21) 2.649 0.842 0.842 ! spec=15N NOESY, no=1024, id=1007
! violated assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   59 and name HD23) 2.649 0.842 0.842 ! spec=15N NOESY, no=1024, id=1007
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    6 and name   HA) 2.960 1.051 1.051 ! spec=15N NOESY, no=1026, id=1009
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA) 2.844 0.971 0.971 ! spec=15N NOESY, no=1027, id=1010
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    7 and name   HA) 2.821 0.955 0.955 ! spec=15N NOESY, no=1028, id=1011
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB1) 2.106 0.532 0.532 ! spec=15N NOESY, no=1030, id=1013
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name  HB1) 2.608 2.608 3.392 ! spec=15N NOESY, no=1031, id=1014
! violated assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HD2) 2.897 1.007 1.007 ! spec=15N NOESY, no=1032, id=1015
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HG2) 2.813 0.950 0.950 ! spec=15N NOESY, no=1033, id=1016
! violated assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   83 and name   HB) 3.007 1.085 1.085 ! spec=15N NOESY, no=1039, id=1022
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name   HA) 2.697 0.873 0.873 ! spec=15N NOESY, no=1044, id=1027
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid  129 and name  HD2) 3.073 1.134 1.134 ! spec=15N NOESY, no=1048, id=1031
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name   HA) 2.677 0.860 0.860 ! spec=15N NOESY, no=1049, id=1032
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name  HB1) 2.773 0.923 0.923 ! spec=15N NOESY, no=1050, id=1033
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   98 and name   HA) 3.069 1.130 1.130 ! spec=15N NOESY, no=1052, id=1035
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   98 and name   HB) 2.723 0.890 0.890 ! spec=15N NOESY, no=1053, id=1036
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HG) 2.990 1.073 1.073 ! spec=15N NOESY, no=1056, id=1039
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG12) 2.831 0.962 0.962 ! spec=15N NOESY, no=1059, id=1042
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG11) 2.831 0.962 0.962 ! spec=15N NOESY, no=1059, id=1042
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG13) 2.831 0.962 0.962 ! spec=15N NOESY, no=1059, id=1042
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD12) 2.696 0.872 0.872 ! spec=15N NOESY, no=1060, id=1043
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD11) 2.696 0.872 0.872 ! spec=15N NOESY, no=1060, id=1043
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD13) 2.696 0.872 0.872 ! spec=15N NOESY, no=1060, id=1043
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG1) 2.521 0.763 0.763 ! spec=15N NOESY, no=1064, id=1047
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG12) 2.842 0.969 0.969 ! spec=15N NOESY, no=1074, id=1057
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HD12) 2.834 0.964 0.964 ! spec=15N NOESY, no=1075, id=1058
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HD11) 2.834 0.964 0.964 ! spec=15N NOESY, no=1075, id=1058
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HD13) 2.834 0.964 0.964 ! spec=15N NOESY, no=1075, id=1058
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.611 0.818 0.818 ! spec=15N NOESY, no=1077, id=1060
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   86 and name   HN) 3.116 1.165 1.165 ! spec=15N NOESY, no=1078, id=1061
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name  HD1) 3.002 1.081 1.081 ! spec=15N NOESY, no=1080, id=1063
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   85 and name  HA2) 3.011 1.088 1.088 ! spec=15N NOESY, no=1081, id=1064
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name  HB1) 2.820 0.954 0.954 ! spec=15N NOESY, no=1084, id=1067
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   86 and name  HB2) 2.912 1.017 1.017 ! spec=15N NOESY, no=1085, id=1068
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid  103 and name HG12) 2.841 0.968 0.968 ! spec=15N NOESY, no=1087, id=1070
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid  103 and name HG11) 2.841 0.968 0.968 ! spec=15N NOESY, no=1087, id=1070
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid  103 and name HG13) 2.841 0.968 0.968 ! spec=15N NOESY, no=1087, id=1070
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HG22) 2.636 0.834 0.834 ! spec=15N NOESY, no=1088, id=1071
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HG21) 2.636 0.834 0.834 ! spec=15N NOESY, no=1088, id=1071
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HG23) 2.636 0.834 0.834 ! spec=15N NOESY, no=1088, id=1071
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HD12) 3.119 3.119 2.881 ! spec=15N NOESY, no=1089, id=1072
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HD11) 3.119 3.119 2.881 ! spec=15N NOESY, no=1089, id=1072
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HD13) 3.119 3.119 2.881 ! spec=15N NOESY, no=1089, id=1072
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   88 and name   HN) 2.785 0.931 0.931 ! spec=15N NOESY, no=1090, id=1073
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   87 and name   HN) 2.553 0.782 0.782 ! spec=15N NOESY, no=1091, id=1074
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   84 and name   HA) 2.615 0.821 0.821 ! spec=15N NOESY, no=1092, id=1075
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name   HB) 2.494 0.747 0.747 ! spec=15N NOESY, no=1093, id=1076
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name   HA) 2.494 0.747 0.747 ! spec=15N NOESY, no=1097, id=1080
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name   HA) 2.287 0.628 0.628 ! spec=15N NOESY, no=1098, id=1081
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  102 and name  HD1) 2.890 1.003 1.003 ! spec=15N NOESY, no=1103, id=1086
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  102 and name  HE1) 3.066 1.128 1.128 ! spec=15N NOESY, no=1104, id=1087
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  127 and name   HA) 2.723 0.890 0.890 ! spec=15N NOESY, no=1107, id=1090
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN) 2.372 0.675 0.675 ! spec=15N NOESY, no=1108, id=1091
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name   HA) 2.322 0.647 0.647 ! spec=15N NOESY, no=1110, id=1093
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name   HA) 2.276 0.621 0.621 ! spec=15N NOESY, no=1116, id=1099
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   70 and name   HN) 2.452 0.721 0.721 ! spec=15N NOESY, no=1118, id=1101
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   68 and name   HA) 2.867 0.987 0.987 ! spec=15N NOESY, no=1119, id=1102
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HB) 2.637 0.835 0.835 ! spec=15N NOESY, no=1128, id=1111
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name   HN) 2.337 0.656 0.656 ! spec=15N NOESY, no=1133, id=1116
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   91 and name   HN) 2.626 0.827 0.827 ! spec=15N NOESY, no=1134, id=1117
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   91 and name  HG1) 3.286 1.296 1.296 ! spec=15N NOESY, no=1137, id=1120
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   91 and name  HB1) 3.139 1.183 1.183 ! spec=15N NOESY, no=1138, id=1121
! violated assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name  HB1) 2.568 0.792 0.792 ! spec=15N NOESY, no=1139, id=1122
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name  HB2) 2.391 0.686 0.686 ! spec=15N NOESY, no=1140, id=1123
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   61 and name   HN) 2.781 0.928 0.928 ! spec=15N NOESY, no=1143, id=1126
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB2) 2.578 0.798 0.798 ! spec=15N NOESY, no=1148, id=1131
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HN) 2.695 2.695 3.305 ! spec=15N NOESY, no=1152, id=1135
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   76 and name   HN) 3.038 3.038 2.962 ! spec=15N NOESY, no=1153, id=1136
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   49 and name   HN) 3.022 1.096 1.096 ! spec=15N NOESY, no=1154, id=1137
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   91 and name HE21) 3.018 1.093 1.093 ! spec=15N NOESY, no=1155, id=1138
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name   HA) 2.781 0.928 0.928 ! spec=15N NOESY, no=1156, id=1139
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name   HA) 2.492 0.745 0.745 ! spec=15N NOESY, no=1157, id=1140
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HA2) 2.188 0.575 0.575 ! spec=15N NOESY, no=1158, id=1141
! violated assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HD2) 2.022 0.491 0.491 ! spec=15N NOESY, no=1161, id=1144
! violated assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HG2) 2.361 0.669 0.669 ! spec=15N NOESY, no=1163, id=1146
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG21) 2.407 0.695 0.695 ! spec=15N NOESY, no=1164, id=1147
! violated assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG22) 2.407 0.695 0.695 ! spec=15N NOESY, no=1164, id=1147
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG23) 2.407 0.695 0.695 ! spec=15N NOESY, no=1164, id=1147
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HA) 2.781 0.928 0.928 ! spec=15N NOESY, no=1167, id=1150
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HA2) 2.973 1.060 1.060 ! spec=15N NOESY, no=1168, id=1151
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HA1) 2.802 0.942 0.942 ! spec=15N NOESY, no=1169, id=1152
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG21) 2.470 0.732 0.732 ! spec=15N NOESY, no=1170, id=1153
! violated assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG22) 2.470 0.732 0.732 ! spec=15N NOESY, no=1170, id=1153
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG23) 2.470 0.732 0.732 ! spec=15N NOESY, no=1170, id=1153
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name   HN) 2.878 2.878 3.122 ! spec=15N NOESY, no=1172, id=1155
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   96 and name   HN) 2.435 0.712 0.712 ! spec=15N NOESY, no=1173, id=1156
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  129 and name  HD2) 2.462 2.462 3.538 ! spec=15N NOESY, no=1175, id=1158
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   97 and name  HB1) 2.701 0.876 0.876 ! spec=15N NOESY, no=1178, id=1161
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   96 and name  HA1) 2.687 0.866 0.866 ! spec=15N NOESY, no=1179, id=1162
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name  HB1) 2.949 1.044 1.044 ! spec=15N NOESY, no=1181, id=1164
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name  HB2) 2.850 0.975 0.975 ! spec=15N NOESY, no=1183, id=1166
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD12) 2.907 2.907 3.093 ! spec=15N NOESY, no=1185, id=1168
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD11) 2.907 2.907 3.093 ! spec=15N NOESY, no=1185, id=1168
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD13) 2.907 2.907 3.093 ! spec=15N NOESY, no=1185, id=1168
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  121 and name   HN) 2.981 1.066 1.066 ! spec=15N NOESY, no=1186, id=1169
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  121 and name  HB2) 3.205 1.233 1.233 ! spec=15N NOESY, no=1190, id=1173
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name  HB1) 2.843 0.970 0.970 ! spec=15N NOESY, no=1191, id=1174
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name  HB2) 3.053 1.118 1.118 ! spec=15N NOESY, no=1193, id=1176
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 2.883 2.883 3.117 ! spec=15N NOESY, no=1195, id=1178
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 2.703 0.877 0.877 ! spec=15N NOESY, no=1196, id=1179
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HB) 2.462 0.727 0.727 ! spec=15N NOESY, no=1198, id=1181
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB2) 2.372 0.675 0.675 ! spec=15N NOESY, no=1200, id=1183
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG21) 2.670 2.670 3.330 ! spec=15N NOESY, no=1203, id=1186
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG22) 2.670 2.670 3.330 ! spec=15N NOESY, no=1203, id=1186
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG23) 2.670 2.670 3.330 ! spec=15N NOESY, no=1203, id=1186
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG12) 2.819 2.819 3.181 ! spec=15N NOESY, no=1204, id=1187
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG11) 2.819 2.819 3.181 ! spec=15N NOESY, no=1204, id=1187
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG13) 2.819 2.819 3.181 ! spec=15N NOESY, no=1204, id=1187
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   38 and name   HN) 2.518 0.761 0.761 ! spec=15N NOESY, no=1205, id=1188
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HN) 3.041 1.110 1.110 ! spec=15N NOESY, no=1206, id=1189
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 2.458 0.725 0.725 ! spec=15N NOESY, no=1207, id=1190
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   99 and name  HD1) 2.976 1.063 1.063 ! spec=15N NOESY, no=1208, id=1191
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   99 and name   HA) 3.030 1.102 1.102 ! spec=15N NOESY, no=1209, id=1192
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 2.771 0.922 0.922 ! spec=15N NOESY, no=1211, id=1194
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   98 and name   HB) 2.588 0.804 0.804 ! spec=15N NOESY, no=1212, id=1195
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   36 and name   HA) 2.778 0.926 0.926 ! spec=15N NOESY, no=1213, id=1196
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HB) 2.433 0.710 0.710 ! spec=15N NOESY, no=1215, id=1198
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG12) 2.864 0.984 0.984 ! spec=15N NOESY, no=1216, id=1199
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   36 and name HG22) 2.306 0.638 0.638 ! spec=15N NOESY, no=1218, id=1201
! violated assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   36 and name HG21) 2.306 0.638 0.638 ! spec=15N NOESY, no=1218, id=1201
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   36 and name HG23) 2.306 0.638 0.638 ! spec=15N NOESY, no=1218, id=1201
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HA2) 2.259 0.613 0.613 ! spec=15N NOESY, no=1220, id=1203
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 2.463 0.728 0.728 ! spec=15N NOESY, no=1221, id=1204
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HA1) 2.280 0.624 0.624 ! spec=15N NOESY, no=1222, id=1205
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name   HN) 2.397 0.689 0.689 ! spec=15N NOESY, no=1227, id=1210
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HA2) 2.450 2.450 3.550 ! spec=15N NOESY, no=1228, id=1211
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB2) 2.573 2.573 3.427 ! spec=15N NOESY, no=1230, id=1213
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB1) 2.573 2.573 3.427 ! spec=15N NOESY, no=1230, id=1213
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  113 and name   HN) 2.734 2.734 3.266 ! spec=15N NOESY, no=1231, id=1214
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  112 and name   HA) 2.131 0.545 0.545 ! spec=15N NOESY, no=1232, id=1215
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  119 and name  HA1) 2.372 2.372 3.628 ! spec=15N NOESY, no=1233, id=1216
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  112 and name  HD2) 3.279 3.279 2.721 ! spec=15N NOESY, no=1234, id=1217
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  112 and name  HB2) 2.483 2.483 3.517 ! spec=15N NOESY, no=1236, id=1219
! violated assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  120 and name  HB2) 2.703 0.876 0.876 ! spec=15N NOESY, no=1237, id=1220
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   56 and name   HN) 2.738 0.900 0.900 ! spec=15N NOESY, no=1244, id=1222
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HD1) 2.817 0.952 0.952 ! spec=15N NOESY, no=1245, id=1223
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HB) 2.697 0.873 0.873 ! spec=15N NOESY, no=1248, id=1226
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB2) 2.668 0.854 0.854 ! spec=15N NOESY, no=1249, id=1227
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid  126 and name  HB1) 3.321 1.323 1.323 ! spec=15N NOESY, no=1250, id=1228
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid  127 and name  HB2) 2.955 1.048 1.048 ! spec=15N NOESY, no=1251, id=1229
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid  127 and name  HG2) 2.653 0.845 0.845 ! spec=15N NOESY, no=1252, id=1230
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.105 0.532 0.532 ! spec=15N NOESY, no=1261, id=1231
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.843 0.970 0.970 ! spec=15N NOESY, no=1262, id=1232
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name   HA) 2.852 0.976 0.976 ! spec=15N NOESY, no=1264, id=1234
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HA) 2.724 0.891 0.891 ! spec=15N NOESY, no=1265, id=1235
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   90 and name   HN) 2.558 0.785 0.785 ! spec=15N NOESY, no=1273, id=1242
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   91 and name   HN) 2.691 0.869 0.869 ! spec=15N NOESY, no=1274, id=1243
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   86 and name   HA) 2.940 1.037 1.037 ! spec=15N NOESY, no=1275, id=1244
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB1) 2.263 0.614 0.614 ! spec=15N NOESY, no=1277, id=1246
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name HD12) 2.498 0.749 0.749 ! spec=15N NOESY, no=1281, id=1250
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name HD11) 2.498 0.749 0.749 ! spec=15N NOESY, no=1281, id=1250
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name HD13) 2.498 0.749 0.749 ! spec=15N NOESY, no=1281, id=1250
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid  128 and name HD12) 3.728 1.668 1.668 ! spec=15N NOESY, no=1282, id=1251
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid  128 and name HD11) 3.728 1.668 1.668 ! spec=15N NOESY, no=1282, id=1251
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid  128 and name HD13) 3.728 1.668 1.668 ! spec=15N NOESY, no=1282, id=1251
assign (segid "    " and resid  121 and name HD21) (segid "    " and resid  105 and name  HB2) 3.918 1.842 1.842 ! spec=15N NOESY, no=1292, id=1255
assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   98 and name   HB) 3.135 1.179 1.179 ! spec=15N NOESY, no=1295, id=1256
assign (segid "    " and resid  121 and name HD21) (segid "    " and resid  121 and name  HB2) 2.718 2.718 3.282 ! spec=15N NOESY, no=1301, id=1259
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   40 and name   HN) 2.909 2.909 3.091 ! spec=15N NOESY, no=1302, id=1260
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   40 and name   HN) 3.119 3.119 2.881 ! spec=15N NOESY, no=1303, id=1261
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   40 and name   HN) 2.929 1.029 1.029 ! spec=15N NOESY, no=1305, id=1263
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name HD21) 2.774 0.923 0.923 ! spec=15N NOESY, no=1306, id=1264
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 2.519 0.761 0.761 ! spec=15N NOESY, no=1307, id=1265
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   97 and name   HA) 2.784 0.930 0.930 ! spec=15N NOESY, no=1308, id=1266
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HA2) 2.451 0.721 0.721 ! spec=15N NOESY, no=1309, id=1267
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   97 and name  HB1) 2.939 1.037 1.037 ! spec=15N NOESY, no=1310, id=1268
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB2) 2.485 0.741 0.741 ! spec=15N NOESY, no=1311, id=1269
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   97 and name  HB2) 2.368 0.673 0.673 ! spec=15N NOESY, no=1312, id=1270
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   94 and name  HB2) 2.899 1.009 1.009 ! spec=15N NOESY, no=1313, id=1271
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   36 and name HG22) 2.927 2.927 3.073 ! spec=15N NOESY, no=1314, id=1272
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   36 and name HG21) 2.927 2.927 3.073 ! spec=15N NOESY, no=1314, id=1272
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   36 and name HG23) 2.927 2.927 3.073 ! spec=15N NOESY, no=1314, id=1272
! violated assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   38 and name  HB1) 2.293 0.631 0.631 ! spec=15N NOESY, no=1316, id=1274
assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   38 and name HD21) 1.601 0.308 0.308 ! spec=15N NOESY, no=1317, id=1275
! violated assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB1) 2.454 0.722 0.722 ! spec=15N NOESY, no=1318, id=1276
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HN) 2.411 0.698 0.698 ! spec=15N NOESY, no=1319, id=1277
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HG2) 2.862 2.862 3.138 ! spec=15N NOESY, no=1325, id=1283
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HB2) 2.618 0.823 0.823 ! spec=15N NOESY, no=1326, id=1284
! violated assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name HG12) 2.978 2.978 3.022 ! spec=15N NOESY, no=1327, id=1285
! violated assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name HG11) 2.978 2.978 3.022 ! spec=15N NOESY, no=1327, id=1285
! violated assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name HG13) 2.978 2.978 3.022 ! spec=15N NOESY, no=1327, id=1285
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   30 and name   HN) 3.199 3.199 2.801 ! spec=15N NOESY, no=1328, id=1286
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 2.467 0.730 0.730 ! spec=15N NOESY, no=1329, id=1287
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   32 and name   HN) 2.921 1.024 1.024 ! spec=15N NOESY, no=1330, id=1288
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name  HA2) 3.102 3.102 2.898 ! spec=15N NOESY, no=1332, id=1290
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA) 2.171 0.565 0.565 ! spec=15N NOESY, no=1333, id=1291
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name  HA1) 3.171 3.171 2.829 ! spec=15N NOESY, no=1335, id=1293
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB1) 2.803 0.943 0.943 ! spec=15N NOESY, no=1336, id=1294
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   28 and name  HB2) 2.408 0.696 0.696 ! spec=15N NOESY, no=1338, id=1296
assign (segid "    " and resid   81 and name HE22) (segid "    " and resid   81 and name   HA) 3.245 1.264 1.264 ! spec=15N NOESY, no=1341, id=1299
assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   37 and name   HB) 3.411 1.396 1.396 ! spec=15N NOESY, no=1343, id=1301
! violated assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   37 and name HD12) 2.968 2.968 3.032 ! spec=15N NOESY, no=1344, id=1302
assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   37 and name HD11) 2.968 2.968 3.032 ! spec=15N NOESY, no=1344, id=1302
assign (segid "    " and resid   38 and name HD22) (segid "    " and resid   37 and name HD13) 2.968 2.968 3.032 ! spec=15N NOESY, no=1344, id=1302
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 2.408 0.696 0.696 ! spec=15N NOESY, no=1345, id=1303
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD22) 3.211 1.238 1.238 ! spec=15N NOESY, no=1346, id=1304
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   18 and name   HA) 3.097 3.097 2.903 ! spec=15N NOESY, no=1348, id=1306
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.393 0.687 0.687 ! spec=15N NOESY, no=1350, id=1308
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD21) 3.398 1.385 1.385 ! spec=15N NOESY, no=1351, id=1309
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB1) 2.588 0.804 0.804 ! spec=15N NOESY, no=1353, id=1311
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB1) 2.957 1.050 1.050 ! spec=15N NOESY, no=1354, id=1312
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.248 0.606 0.606 ! spec=15N NOESY, no=1355, id=1313
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG12) 2.947 2.947 3.053 ! spec=15N NOESY, no=1357, id=1315
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG11) 2.947 2.947 3.053 ! spec=15N NOESY, no=1357, id=1315
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG13) 2.947 2.947 3.053 ! spec=15N NOESY, no=1357, id=1315
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name   HA) 3.409 1.394 1.394 ! spec=15N NOESY, no=1358, id=1316
assign (segid "    " and resid   81 and name HE21) (segid "    " and resid   78 and name  HB2) 3.383 1.373 1.373 ! spec=15N NOESY, no=1361, id=1319
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   33 and name  HG2) 3.241 1.261 1.261 ! spec=15N NOESY, no=1366, id=1324
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   39 and name  HB2) 3.082 1.139 1.139 ! spec=15N NOESY, no=1370, id=1328
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   94 and name  HB1) 2.943 1.039 1.039 ! spec=15N NOESY, no=1372, id=1330
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   94 and name  HG2) 2.902 1.011 1.011 ! spec=15N NOESY, no=1374, id=1332
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   20 and name  HG2) 3.400 1.387 1.387 ! spec=15N NOESY, no=1375, id=1333
assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   81 and name HE21) 3.033 1.104 1.104 ! spec=15N NOESY, no=1380, id=1337
! violated assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   21 and name  HB1) 2.779 0.926 0.926 ! spec=15N NOESY, no=1381, id=1338
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  108 and name   HN) 2.909 1.016 1.016 ! spec=15N NOESY, no=1385, id=1342
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  106 and name  HA1) 2.065 0.512 0.512 ! spec=15N NOESY, no=1386, id=1343
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  105 and name   HN) 2.738 0.900 0.900 ! spec=15N NOESY, no=1387, id=1344
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  106 and name   HN) 2.535 0.771 0.771 ! spec=15N NOESY, no=1388, id=1345
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  105 and name  HB1) 2.923 1.025 1.025 ! spec=15N NOESY, no=1390, id=1347
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  105 and name  HB2) 3.193 1.223 1.223 ! spec=15N NOESY, no=1391, id=1348
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  104 and name  HB1) 2.981 1.067 1.067 ! spec=15N NOESY, no=1392, id=1349
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  104 and name  HB2) 2.717 0.886 0.886 ! spec=15N NOESY, no=1393, id=1350
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  108 and name  HB2) 3.396 3.396 2.604 ! spec=15N NOESY, no=1395, id=1352
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  108 and name  HB1) 3.396 3.396 2.604 ! spec=15N NOESY, no=1395, id=1352
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  108 and name  HB3) 3.396 3.396 2.604 ! spec=15N NOESY, no=1395, id=1352
assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name HE21) 1.601 0.308 0.308 ! spec=15N NOESY, no=1398, id=1355
assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   48 and name   HA) 3.292 3.292 2.708 ! spec=15N NOESY, no=1399, id=1356
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   80 and name  HB2) 2.586 0.802 0.802 ! spec=15N NOESY, no=1400, id=1357
assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name  HB1) 3.106 1.158 1.158 ! spec=15N NOESY, no=1402, id=1359
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name   HA) 3.562 1.523 1.523 ! spec=15N NOESY, no=1405, id=1362
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HN) 2.362 0.670 0.670 ! spec=15N NOESY, no=1410, id=1367
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   33 and name HE22) 3.121 3.121 2.879 ! spec=15N NOESY, no=1411, id=1368
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HA2) 2.299 0.634 0.634 ! spec=15N NOESY, no=1412, id=1369
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 2.544 0.776 0.776 ! spec=15N NOESY, no=1413, id=1370
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HA1) 2.231 0.597 0.597 ! spec=15N NOESY, no=1415, id=1372
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   28 and name  HB2) 2.685 0.865 0.865 ! spec=15N NOESY, no=1416, id=1373
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name  HB2) 3.136 3.136 2.864 ! spec=15N NOESY, no=1417, id=1374
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  110 and name   HN) 2.738 0.900 0.900 ! spec=15N NOESY, no=1420, id=1376
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    8 and name HD21) 2.196 0.579 0.579 ! spec=15N NOESY, no=1422, id=1378
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HG2) 2.939 1.036 1.036 ! spec=15N NOESY, no=1426, id=1382
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   73 and name   HN) 2.043 0.501 0.501 ! spec=15N NOESY, no=1437, id=1393
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   73 and name  HB2) 3.142 1.184 1.184 ! spec=15N NOESY, no=1441, id=1397
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    8 and name   HN) 3.266 1.280 1.280 ! spec=15N NOESY, no=1443, id=1399
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   50 and name   HN) 3.247 3.247 2.753 ! spec=15N NOESY, no=1449, id=1405
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.130 0.544 0.544 ! spec=15N NOESY, no=1452, id=1408
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   49 and name  HB2) 2.531 0.769 0.769 ! spec=15N NOESY, no=1454, id=1410
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HG1) 2.565 2.565 3.435 ! spec=15N NOESY, no=1455, id=1411
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  129 and name  HD2) 3.179 1.213 1.213 ! spec=15N NOESY, no=1461, id=1417
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name  HB2) 2.759 0.914 0.914 ! spec=15N NOESY, no=1466, id=1422
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   80 and name   HN) 3.863 1.791 1.791 ! spec=15N NOESY, no=1469, id=1425
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HN) 2.229 0.596 0.596 ! spec=15N NOESY, no=1470, id=1426
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HA) 2.780 0.927 0.927 ! spec=15N NOESY, no=1471, id=1427
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   46 and name  HA2) 2.856 0.979 0.979 ! spec=15N NOESY, no=1472, id=1428
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB2) 2.194 0.578 0.578 ! spec=15N NOESY, no=1473, id=1429
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   49 and name  HB2) 2.927 2.927 3.073 ! spec=15N NOESY, no=1475, id=1431
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name   HB) 3.237 1.257 1.257 ! spec=15N NOESY, no=1476, id=1432
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 2.483 0.740 0.740 ! spec=15N NOESY, no=1482, id=1438
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HN) 3.099 1.153 1.153 ! spec=15N NOESY, no=1483, id=1439
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA) 2.724 0.891 0.891 ! spec=15N NOESY, no=1485, id=1441
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB1) 2.654 0.845 0.845 ! spec=15N NOESY, no=1488, id=1444
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  115 and name   HN) 3.232 1.253 1.253 ! spec=15N NOESY, no=1493, id=1449
! violated assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name   HB) 2.873 0.990 0.990 ! spec=15N NOESY, no=1498, id=1454
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   80 and name   HN) 2.808 0.946 0.946 ! spec=15N NOESY, no=1501, id=1457
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   80 and name   HN) 2.604 0.813 0.813 ! spec=15N NOESY, no=1502, id=1458
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name   HA) 3.182 1.215 1.215 ! spec=15N NOESY, no=1504, id=1460
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name   HA) 2.498 0.749 0.749 ! spec=15N NOESY, no=1505, id=1461
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name  HB1) 2.557 0.785 0.785 ! spec=15N NOESY, no=1506, id=1462
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name  HB2) 2.463 0.728 0.728 ! spec=15N NOESY, no=1507, id=1463
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   47 and name   HA) 3.222 1.246 1.246 ! spec=15N NOESY, no=1508, id=1464
! violated assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   77 and name  HB2) 3.973 1.894 1.894 ! spec=15N NOESY, no=1510, id=1466
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name  HB1) 2.825 2.825 3.175 ! spec=15N NOESY, no=1512, id=1468
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name  HB2) 2.864 0.985 0.985 ! spec=15N NOESY, no=1513, id=1469
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   33 and name HE21) 2.402 0.692 0.692 ! spec=15N NOESY, no=1515, id=1471
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  102 and name  HB1) 3.937 1.860 1.860 ! spec=15N NOESY, no=1516, id=1472
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   20 and name  HE2) 3.439 1.419 1.419 ! spec=15N NOESY, no=1517, id=1473
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid  104 and name  HD2) 3.120 1.168 1.168 ! spec=15N NOESY, no=1524, id=1480
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   47 and name  HG2) 3.408 3.408 2.592 ! spec=15N NOESY, no=1531, id=1487
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  132 and name   HN) 2.472 0.733 0.733 ! spec=15N NOESY, no=1533, id=1489
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  132 and name   HN) 2.978 1.064 1.064 ! spec=15N NOESY, no=1534, id=1490
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  132 and name   HN) 2.604 2.604 3.396 ! spec=15N NOESY, no=1535, id=1491
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   53 and name   HA) 3.160 1.198 1.198 ! spec=15N NOESY, no=1536, id=1492
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name   HA) 3.472 1.446 1.446 ! spec=15N NOESY, no=1537, id=1493
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  130 and name   HA) 2.909 1.015 1.015 ! spec=15N NOESY, no=1540, id=1496
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name   HB) 2.402 0.693 0.693 ! spec=15N NOESY, no=1543, id=1499
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  130 and name HD12) 2.685 0.865 0.865 ! spec=15N NOESY, no=1546, id=1502
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  130 and name HD11) 2.685 0.865 0.865 ! spec=15N NOESY, no=1546, id=1502
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  130 and name HD13) 2.685 0.865 0.865 ! spec=15N NOESY, no=1546, id=1502
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  131 and name HG12) 3.086 3.086 2.914 ! spec=15N NOESY, no=1547, id=1503
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  104 and name  HG2) 3.089 1.145 1.145 ! spec=15N NOESY, no=1548, id=1504
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   42 and name   HN) 2.343 0.659 0.659 ! spec=15N NOESY, no=1549, id=1505
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name   HN) 2.589 2.589 3.411 ! spec=15N NOESY, no=1550, id=1506
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   96 and name  HA2) 3.272 1.284 1.284 ! spec=15N NOESY, no=1551, id=1507
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HA2) 2.199 0.581 0.581 ! spec=15N NOESY, no=1552, id=1508
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HA1) 2.254 0.610 0.610 ! spec=15N NOESY, no=1553, id=1509
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   40 and name  HA1) 2.818 0.953 0.953 ! spec=15N NOESY, no=1554, id=1510
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   94 and name  HB1) 2.796 0.938 0.938 ! spec=15N NOESY, no=1556, id=1512
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   94 and name  HG1) 3.184 1.216 1.216 ! spec=15N NOESY, no=1557, id=1513
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   94 and name  HB2) 2.463 0.728 0.728 ! spec=15N NOESY, no=1558, id=1514
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name   HN) 2.381 0.681 0.681 ! spec=15N NOESY, no=1560, id=1516
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   63 and name   HB) 3.132 3.132 2.868 ! spec=15N NOESY, no=1562, id=1518
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   63 and name   HA) 3.192 3.192 2.808 ! spec=15N NOESY, no=1563, id=1519
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HA1) 2.270 0.618 0.618 ! spec=15N NOESY, no=1564, id=1520
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name   HA) 3.036 1.106 1.106 ! spec=15N NOESY, no=1565, id=1521
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   58 and name  HD1) 2.901 1.010 1.010 ! spec=15N NOESY, no=1566, id=1522
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name  HB1) 3.008 1.086 1.086 ! spec=15N NOESY, no=1568, id=1524
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   58 and name  HG1) 2.966 1.056 1.056 ! spec=15N NOESY, no=1569, id=1525
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HD12) 3.232 3.232 2.768 ! spec=15N NOESY, no=1573, id=1529
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HD11) 3.232 3.232 2.768 ! spec=15N NOESY, no=1573, id=1529
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HD13) 3.232 3.232 2.768 ! spec=15N NOESY, no=1573, id=1529
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name   HN) 3.305 1.311 1.311 ! spec=15N NOESY, no=1574, id=1530
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   58 and name  HD2) 3.113 1.163 1.163 ! spec=15N NOESY, no=1575, id=1531
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   91 and name   HN) 2.868 0.987 0.987 ! spec=15N NOESY, no=1578, id=1534
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name HE21) 3.216 1.241 1.241 ! spec=15N NOESY, no=1579, id=1535
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name  HG1) 2.705 0.878 0.878 ! spec=15N NOESY, no=1582, id=1538
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name  HB1) 2.644 0.839 0.839 ! spec=15N NOESY, no=1583, id=1539
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   91 and name  HB2) 2.455 0.723 0.723 ! spec=15N NOESY, no=1585, id=1541
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name  HB2) 2.930 1.030 1.030 ! spec=15N NOESY, no=1586, id=1542
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   35 and name   HA) 3.337 1.336 1.336 ! spec=15N NOESY, no=1592, id=1548
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 2.807 0.945 0.945 ! spec=15N NOESY, no=1594, id=1550
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   33 and name  HB2) 3.103 1.156 1.156 ! spec=15N NOESY, no=1595, id=1551
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name   HB) 2.989 1.072 1.072 ! spec=15N NOESY, no=1607, id=1563
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HD12) 2.802 0.942 0.942 ! spec=15N NOESY, no=1610, id=1566
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HD11) 2.802 0.942 0.942 ! spec=15N NOESY, no=1610, id=1566
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HD13) 2.802 0.942 0.942 ! spec=15N NOESY, no=1610, id=1566
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG12) 3.107 1.158 1.158 ! spec=15N NOESY, no=1611, id=1567
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG11) 3.107 1.158 1.158 ! spec=15N NOESY, no=1611, id=1567
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HG13) 3.107 1.158 1.158 ! spec=15N NOESY, no=1611, id=1567
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   69 and name   HN) 3.152 1.192 1.192 ! spec=15N NOESY, no=1612, id=1568
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HN) 2.187 0.574 0.574 ! spec=15N NOESY, no=1613, id=1569
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   72 and name  HA1) 2.844 2.844 3.156 ! spec=15N NOESY, no=1616, id=1572
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   67 and name  HB2) 3.766 1.702 1.702 ! spec=15N NOESY, no=1617, id=1573
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB2) 2.309 0.640 0.640 ! spec=15N NOESY, no=1619, id=1575
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HG2) 3.080 1.138 1.138 ! spec=15N NOESY, no=1620, id=1576
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   82 and name   HN) 3.278 1.289 1.289 ! spec=15N NOESY, no=1623, id=1579
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name   HB) 3.282 1.293 1.293 ! spec=15N NOESY, no=1626, id=1582
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG22) 2.349 2.349 3.651 ! spec=15N NOESY, no=1628, id=1584
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG21) 2.349 2.349 3.651 ! spec=15N NOESY, no=1628, id=1584
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG23) 2.349 2.349 3.651 ! spec=15N NOESY, no=1628, id=1584
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG12) 2.730 0.894 0.894 ! spec=15N NOESY, no=1629, id=1585
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG11) 2.730 0.894 0.894 ! spec=15N NOESY, no=1629, id=1585
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HG13) 2.730 0.894 0.894 ! spec=15N NOESY, no=1629, id=1585
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   90 and name HD12) 3.988 1.908 1.908 ! spec=15N NOESY, no=1635, id=1590
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   90 and name HD11) 3.988 1.908 1.908 ! spec=15N NOESY, no=1635, id=1590
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   90 and name HD13) 3.988 1.908 1.908 ! spec=15N NOESY, no=1635, id=1590
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HD11) 3.795 1.729 1.729 ! spec=15N NOESY, no=1636, id=1591
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid  102 and name  HB1) 2.459 2.459 3.541 ! spec=15N NOESY, no=1642, id=1596
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name   HN) 4.438 2.364 2.364 ! spec=15N NOESY, no=1655, id=1602
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    5 and name   HA) 3.164 1.201 1.201 ! spec=15N NOESY, no=1660, id=1607
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   28 and name   HN) 3.218 3.218 2.782 ! spec=15N NOESY, no=1667, id=1614
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   21 and name   HN) 2.366 0.672 0.672 ! spec=15N NOESY, no=1668, id=1615
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   20 and name   HN) 2.445 2.445 3.555 ! spec=15N NOESY, no=1669, id=1616
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD12) 2.787 2.787 3.213 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD11) 2.787 2.787 3.213 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD13) 2.787 2.787 3.213 ! spec=15N NOESY, no=1674, id=1621
assign (segid "    " and resid   81 and name HE21) (segid "    " and resid   81 and name HE22) 2.371 0.674 0.674 ! spec=15N NOESY, no=1675, id=1622
! violated assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB2) 2.723 0.890 0.890 ! spec=15N NOESY, no=1677, id=1624
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB1) 2.723 0.890 0.890 ! spec=15N NOESY, no=1677, id=1624
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  126 and name  HB2) 2.958 1.050 1.050 ! spec=15N NOESY, no=1678, id=1625
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG11) 2.751 0.908 0.908 ! spec=15N NOESY, no=1683, id=1630
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG11) 2.529 0.768 0.768 ! spec=15N NOESY, no=1685, id=1632
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   19 and name HD22) 2.483 0.740 0.740 ! spec=15N NOESY, no=1690, id=1637
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   40 and name   HN) 3.391 1.380 1.380 ! spec=15N NOESY, no=1691, id=1638
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   94 and name  HB1) 3.406 3.406 2.594 ! spec=15N NOESY, no=1693, id=1640
! violated assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   94 and name  HG1) 3.393 1.382 1.382 ! spec=15N NOESY, no=1694, id=1641
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   94 and name  HG2) 3.339 1.338 1.338 ! spec=15N NOESY, no=1695, id=1642
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name   HN) 3.084 1.142 1.142 ! spec=15N NOESY, no=1697, id=1644
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid  126 and name   HZ) 4.148 2.065 2.065 ! spec=15N NOESY, no=1698, id=1645
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid  126 and name  HE1) 4.465 2.392 2.392 ! spec=15N NOESY, no=1700, id=1647
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   16 and name HD22) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   16 and name HD21) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   16 and name HD23) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  101 and name HG12) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  107 and name HD12) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  107 and name HD11) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  107 and name HD13) 2.862 0.983 0.983 ! spec=13C NOESY, no=1, id=1649
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name   HN) 3.233 1.255 1.255 ! spec=13C NOESY, no=18, id=1656
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   24 and name   HN) 3.233 1.255 1.255 ! spec=13C NOESY, no=18, id=1656
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  102 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  102 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  102 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  125 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  125 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  125 and name   HA) 2.941 2.941 3.059 ! spec=13C NOESY, no=19, id=1657
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   85 and name   HN) 2.810 0.947 0.947 ! spec=13C NOESY, no=20, id=1658
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   85 and name   HN) 2.810 0.947 0.947 ! spec=13C NOESY, no=20, id=1658
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   85 and name   HN) 2.810 0.947 0.947 ! spec=13C NOESY, no=20, id=1658
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 2.810 0.947 0.947 ! spec=13C NOESY, no=20, id=1658
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG1) 2.810 0.947 0.947 ! spec=13C NOESY, no=20, id=1658
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid  102 and name  HE1) 3.244 1.262 1.262 ! spec=13C NOESY, no=21, id=1659
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid  102 and name  HE1) 3.244 1.262 1.262 ! spec=13C NOESY, no=21, id=1659
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   91 and name HE21) 3.244 1.262 1.262 ! spec=13C NOESY, no=21, id=1659
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.045 0.502 0.502 ! spec=13C NOESY, no=22, id=1660
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HD2) 2.045 0.502 0.502 ! spec=13C NOESY, no=22, id=1660
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 2.045 0.502 0.502 ! spec=13C NOESY, no=22, id=1660
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB2) 2.045 0.502 0.502 ! spec=13C NOESY, no=22, id=1660
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB1) 2.045 0.502 0.502 ! spec=13C NOESY, no=22, id=1660
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD12) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD11) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   37 and name HD13) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   37 and name HD12) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   37 and name HD11) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   37 and name HD13) 2.609 2.609 3.391 ! spec=13C NOESY, no=23, id=1661
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   25 and name HG12) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   25 and name HG11) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   25 and name HG13) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   36 and name HG12) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   36 and name HG11) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   36 and name HG13) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   25 and name HG12) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   25 and name HG11) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   25 and name HG13) 3.129 1.175 1.175 ! spec=13C NOESY, no=25, id=1663
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   85 and name   HN) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   85 and name   HN) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   85 and name   HN) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name  HG2) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG1) 2.717 2.717 3.283 ! spec=13C NOESY, no=27, id=1665
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD22) 2.553 0.782 0.782 ! spec=13C NOESY, no=28, id=1666
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD21) 2.553 0.782 0.782 ! spec=13C NOESY, no=28, id=1666
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name HD23) 2.553 0.782 0.782 ! spec=13C NOESY, no=28, id=1666
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HG2) 2.553 0.782 0.782 ! spec=13C NOESY, no=28, id=1666
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   19 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   26 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   19 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   23 and name  HD1) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   86 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   86 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   86 and name   HA) 3.035 3.035 2.965 ! spec=13C NOESY, no=29, id=1667
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   30 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   30 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   30 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   31 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   31 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   31 and name   HN) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   32 and name HD22) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   32 and name HD21) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   32 and name HD23) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   32 and name HD22) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   32 and name HD21) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   32 and name HD23) 3.166 3.166 2.834 ! spec=13C NOESY, no=31, id=1669
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   86 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   86 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   86 and name   HN) 2.693 2.693 3.307 ! spec=13C NOESY, no=33, id=1671
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD22) 2.958 2.958 3.042 ! spec=13C NOESY, no=34, id=1672
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD21) 2.958 2.958 3.042 ! spec=13C NOESY, no=34, id=1672
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD23) 2.958 2.958 3.042 ! spec=13C NOESY, no=34, id=1672
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   99 and name  HD1) 2.958 2.958 3.042 ! spec=13C NOESY, no=34, id=1672
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid  102 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid  102 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name HE21) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name HE21) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name HE21) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  102 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  102 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  102 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=35, id=1673
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   34 and name  HD1) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   34 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   34 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   34 and name   HA) 2.793 2.793 3.207 ! spec=13C NOESY, no=36, id=1674
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD22) 2.247 0.606 0.606 ! spec=13C NOESY, no=38, id=1676
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD21) 2.247 0.606 0.606 ! spec=13C NOESY, no=38, id=1676
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name HD23) 2.247 0.606 0.606 ! spec=13C NOESY, no=38, id=1676
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name   HA) 2.247 0.606 0.606 ! spec=13C NOESY, no=38, id=1676
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name  HA2) 2.232 0.598 0.598 ! spec=13C NOESY, no=39, id=1677
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   25 and name   HA) 2.232 0.598 0.598 ! spec=13C NOESY, no=39, id=1677
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HA) 2.232 0.598 0.598 ! spec=13C NOESY, no=39, id=1677
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HA) 2.232 0.598 0.598 ! spec=13C NOESY, no=39, id=1677
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HA) 2.232 0.598 0.598 ! spec=13C NOESY, no=39, id=1677
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   85 and name  HA1) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   85 and name  HA1) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   85 and name  HA1) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  104 and name  HD2) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  104 and name  HD2) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  104 and name  HD2) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name  HA1) 2.429 0.708 0.708 ! spec=13C NOESY, no=40, id=1678
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name  HG1) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name  HG1) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name  HG1) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  102 and name  HB2) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  102 and name  HB2) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  102 and name  HB2) 3.059 3.059 2.941 ! spec=13C NOESY, no=41, id=1679
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name  HB1) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name  HB1) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name  HB1) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   33 and name  HG2) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   33 and name  HG2) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   33 and name  HG2) 2.857 2.857 3.143 ! spec=13C NOESY, no=43, id=1681
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HG) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HG) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HG) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name   HB) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB1) 2.114 0.536 0.536 ! spec=13C NOESY, no=44, id=1682
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HG) 2.081 0.520 0.520 ! spec=13C NOESY, no=45, id=1683
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HG) 2.081 0.520 0.520 ! spec=13C NOESY, no=45, id=1683
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HG) 2.081 0.520 0.520 ! spec=13C NOESY, no=45, id=1683
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.081 0.520 0.520 ! spec=13C NOESY, no=45, id=1683
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 2.081 0.520 0.520 ! spec=13C NOESY, no=45, id=1683
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD11) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name HD13) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD11) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name HD13) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD11) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name HD13) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HG12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HG12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HG12) 1.764 1.764 4.236 ! spec=13C NOESY, no=46, id=1684
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 3.091 1.146 1.146 ! spec=13C NOESY, no=48, id=1686
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   85 and name   HN) 3.091 1.146 1.146 ! spec=13C NOESY, no=48, id=1686
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   85 and name   HN) 3.091 1.146 1.146 ! spec=13C NOESY, no=48, id=1686
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   85 and name   HN) 3.091 1.146 1.146 ! spec=13C NOESY, no=48, id=1686
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HE2) 2.701 0.876 0.876 ! spec=13C NOESY, no=49, id=1687
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HE1) 2.701 0.876 0.876 ! spec=13C NOESY, no=49, id=1687
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  117 and name  HG2) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  117 and name  HG2) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  117 and name  HG2) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  118 and name   HB) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  118 and name   HB) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  118 and name   HB) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid  124 and name  HB1) 3.228 1.251 1.251 ! spec=13C NOESY, no=78, id=1692
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HB2) 2.844 0.971 0.971 ! spec=13C NOESY, no=83, id=1695
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HG2) 2.844 0.971 0.971 ! spec=13C NOESY, no=83, id=1695
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name   HG) 3.207 1.234 1.234 ! spec=13C NOESY, no=84, id=1696
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  107 and name  HB1) 3.207 1.234 1.234 ! spec=13C NOESY, no=84, id=1696
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name  HB2) 3.257 1.273 1.273 ! spec=13C NOESY, no=85, id=1697
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  107 and name  HB2) 3.257 1.273 1.273 ! spec=13C NOESY, no=85, id=1697
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HG2) 3.078 1.137 1.137 ! spec=13C NOESY, no=86, id=1698
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  104 and name  HG1) 3.078 1.137 1.137 ! spec=13C NOESY, no=86, id=1698
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name   HA) 2.167 2.167 3.833 ! spec=13C NOESY, no=88, id=1700
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    9 and name   HA) 2.167 2.167 3.833 ! spec=13C NOESY, no=88, id=1700
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name   HA) 1.849 1.849 4.151 ! spec=13C NOESY, no=89, id=1701
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HA) 1.849 1.849 4.151 ! spec=13C NOESY, no=89, id=1701
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA) 2.303 0.637 0.637 ! spec=13C NOESY, no=93, id=1704
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.303 0.637 0.637 ! spec=13C NOESY, no=93, id=1704
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HA) 2.303 0.637 0.637 ! spec=13C NOESY, no=93, id=1704
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE2) 2.173 0.566 0.566 ! spec=13C NOESY, no=94, id=1705
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HE2) 2.173 0.566 0.566 ! spec=13C NOESY, no=94, id=1705
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 2.173 0.566 0.566 ! spec=13C NOESY, no=94, id=1705
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HE2) 2.173 0.566 0.566 ! spec=13C NOESY, no=94, id=1705
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HE2) 2.173 0.566 0.566 ! spec=13C NOESY, no=94, id=1705
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   91 and name HE21) 2.900 2.900 3.100 ! spec=13C NOESY, no=96, id=1707
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid  102 and name  HE1) 2.900 2.900 3.100 ! spec=13C NOESY, no=96, id=1707
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   48 and name  HB2) 2.521 0.763 0.763 ! spec=13C NOESY, no=98, id=1709
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   48 and name  HB1) 2.521 0.763 0.763 ! spec=13C NOESY, no=98, id=1709
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   24 and name  HA1) 2.375 2.375 3.625 ! spec=13C NOESY, no=99, id=1710
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name   HA) 2.375 2.375 3.625 ! spec=13C NOESY, no=99, id=1710
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HE2) 2.078 0.518 0.518 ! spec=13C NOESY, no=100, id=1711
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HE1) 2.078 0.518 0.518 ! spec=13C NOESY, no=100, id=1711
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB2) 1.805 0.391 0.391 ! spec=13C NOESY, no=101, id=1712
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB1) 1.805 0.391 0.391 ! spec=13C NOESY, no=101, id=1712
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 1.805 0.391 0.391 ! spec=13C NOESY, no=101, id=1712
! violated assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   44 and name  HD1) 1.805 0.391 0.391 ! spec=13C NOESY, no=101, id=1712
! violated assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   45 and name   HA) 2.815 0.951 0.951 ! spec=13C NOESY, no=102, id=1713
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   91 and name   HA) 2.815 0.951 0.951 ! spec=13C NOESY, no=102, id=1713
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   24 and name  HA2) 2.795 0.937 0.937 ! spec=13C NOESY, no=103, id=1714
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   25 and name   HA) 2.795 0.937 0.937 ! spec=13C NOESY, no=103, id=1714
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   80 and name  HB1) 2.795 0.937 0.937 ! spec=13C NOESY, no=103, id=1714
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.246 0.605 0.605 ! spec=13C NOESY, no=107, id=1718
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HD2) 2.246 0.605 0.605 ! spec=13C NOESY, no=107, id=1718
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 2.620 2.620 3.380 ! spec=13C NOESY, no=109, id=1720
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   79 and name HG22) 2.620 2.620 3.380 ! spec=13C NOESY, no=109, id=1720
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   79 and name HG21) 2.620 2.620 3.380 ! spec=13C NOESY, no=109, id=1720
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   79 and name HG23) 2.620 2.620 3.380 ! spec=13C NOESY, no=109, id=1720
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   47 and name   HN) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   47 and name   HN) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
! violated assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   47 and name   HN) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG22) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG21) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG23) 3.091 3.091 2.909 ! spec=13C NOESY, no=110, id=1721
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG22) 2.657 2.657 3.343 ! spec=13C NOESY, no=112, id=1723
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG21) 2.657 2.657 3.343 ! spec=13C NOESY, no=112, id=1723
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG23) 2.657 2.657 3.343 ! spec=13C NOESY, no=112, id=1723
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   19 and name HD22) 2.657 2.657 3.343 ! spec=13C NOESY, no=112, id=1723
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   45 and name  HD1) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   45 and name  HD1) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   45 and name  HD1) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   91 and name   HA) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   91 and name   HA) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   91 and name   HA) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
! violated assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   23 and name   HA) 2.759 2.759 3.241 ! spec=13C NOESY, no=115, id=1726
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HD2) 2.437 0.713 0.713 ! spec=13C NOESY, no=117, id=1728
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   45 and name  HG2) 2.437 0.713 0.713 ! spec=13C NOESY, no=117, id=1728
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   45 and name  HG2) 2.437 0.713 0.713 ! spec=13C NOESY, no=117, id=1728
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   45 and name  HG2) 2.437 0.713 0.713 ! spec=13C NOESY, no=117, id=1728
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   47 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   47 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   47 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   87 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   87 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   87 and name   HA) 2.290 2.290 3.710 ! spec=13C NOESY, no=120, id=1731
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG22) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG21) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG23) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG22) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG21) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   79 and name HG23) 2.853 2.853 3.147 ! spec=13C NOESY, no=123, id=1734
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG22) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG21) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG23) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG22) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG21) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   79 and name HG23) 2.889 2.889 3.111 ! spec=13C NOESY, no=130, id=1741
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   45 and name   HA) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   45 and name   HA) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   45 and name   HA) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   46 and name  HA2) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   46 and name  HA2) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   46 and name  HA2) 2.428 2.428 3.572 ! spec=13C NOESY, no=133, id=1744
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG22) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
! violated assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG21) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG23) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG22) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG21) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG23) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG22) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG21) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG23) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   90 and name HD12) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   90 and name HD11) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   90 and name HD13) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   90 and name HD12) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   90 and name HD11) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   90 and name HD13) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   90 and name HD12) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   90 and name HD11) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   90 and name HD13) 1.877 1.877 4.123 ! spec=13C NOESY, no=138, id=1749
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name   HN) 2.944 2.944 3.056 ! spec=13C NOESY, no=140, id=1751
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HA) 2.944 2.944 3.056 ! spec=13C NOESY, no=140, id=1751
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name  HB1) 2.767 2.767 3.233 ! spec=13C NOESY, no=144, id=1755
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid  121 and name  HB1) 2.767 2.767 3.233 ! spec=13C NOESY, no=144, id=1755
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HD2) 2.440 2.440 3.560 ! spec=13C NOESY, no=149, id=1760
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   47 and name  HB2) 2.440 2.440 3.560 ! spec=13C NOESY, no=149, id=1760
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   47 and name  HB1) 2.440 2.440 3.560 ! spec=13C NOESY, no=149, id=1760
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name   HA) 2.247 0.606 0.606 ! spec=13C NOESY, no=150, id=1761
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name   HA) 2.247 0.606 0.606 ! spec=13C NOESY, no=150, id=1761
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid    9 and name   HN) 2.968 2.968 3.032 ! spec=13C NOESY, no=151, id=1762
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name   HN) 2.968 2.968 3.032 ! spec=13C NOESY, no=151, id=1762
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid    8 and name   HA) 3.218 3.218 2.782 ! spec=13C NOESY, no=153, id=1764
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   61 and name   HA) 3.218 3.218 2.782 ! spec=13C NOESY, no=153, id=1764
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.244 0.604 0.604 ! spec=13C NOESY, no=155, id=1766
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.244 0.604 0.604 ! spec=13C NOESY, no=155, id=1766
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD2) 2.018 2.018 3.982 ! spec=13C NOESY, no=157, id=1768
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name  HB2) 2.018 2.018 3.982 ! spec=13C NOESY, no=157, id=1768
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name  HB1) 2.018 2.018 3.982 ! spec=13C NOESY, no=157, id=1768
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   14 and name  HB3) 2.018 2.018 3.982 ! spec=13C NOESY, no=157, id=1768
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG12) 2.784 2.784 3.216 ! spec=13C NOESY, no=160, id=1771
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD12) 2.784 2.784 3.216 ! spec=13C NOESY, no=160, id=1771
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD11) 2.784 2.784 3.216 ! spec=13C NOESY, no=160, id=1771
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD13) 2.784 2.784 3.216 ! spec=13C NOESY, no=160, id=1771
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name  HB1) 2.137 0.548 0.548 ! spec=13C NOESY, no=164, id=1775
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.137 0.548 0.548 ! spec=13C NOESY, no=164, id=1775
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   51 and name HG22) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   51 and name HG21) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   51 and name HG23) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   90 and name HD12) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   90 and name HD11) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   90 and name HD13) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid  133 and name HG12) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid  133 and name HG11) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid  133 and name HG13) 3.224 3.224 2.776 ! spec=13C NOESY, no=177, id=1787
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   70 and name  HG2) 2.598 0.810 0.810 ! spec=13C NOESY, no=179, id=1789
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HG2) 2.598 0.810 0.810 ! spec=13C NOESY, no=179, id=1789
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HG1) 2.598 0.810 0.810 ! spec=13C NOESY, no=179, id=1789
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    4 and name  HG2) 2.655 0.846 0.846 ! spec=13C NOESY, no=181, id=1791
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HG2) 2.655 0.846 0.846 ! spec=13C NOESY, no=181, id=1791
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HG1) 2.655 0.846 0.846 ! spec=13C NOESY, no=181, id=1791
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA) 2.053 0.506 0.506 ! spec=13C NOESY, no=184, id=1794
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.053 0.506 0.506 ! spec=13C NOESY, no=184, id=1794
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name   HA) 2.053 0.506 0.506 ! spec=13C NOESY, no=184, id=1794
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name   HA) 2.053 0.506 0.506 ! spec=13C NOESY, no=184, id=1794
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   74 and name  HD1) 2.594 0.807 0.807 ! spec=13C NOESY, no=185, id=1795
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   10 and name   HA) 2.594 0.807 0.807 ! spec=13C NOESY, no=185, id=1795
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE2) 1.969 0.465 0.465 ! spec=13C NOESY, no=186, id=1796
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HB1) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name  HB2) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HB2) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HD2) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name  HB1) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB1) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB1) 1.719 0.355 0.355 ! spec=13C NOESY, no=187, id=1797
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HB2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name  HB2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HD2) 1.417 0.241 0.241 ! spec=13C NOESY, no=188, id=1798
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   60 and name HG22) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   60 and name HG21) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   60 and name HG23) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid   60 and name HG22) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid   60 and name HG21) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid   60 and name HG23) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid  131 and name HG22) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid  131 and name HG21) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid  131 and name HG23) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG12) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG11) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG13) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG12) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG11) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG13) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG22) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG21) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  133 and name HG23) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG22) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG21) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  133 and name HG23) 2.595 2.595 3.405 ! spec=13C NOESY, no=189, id=1799
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HG2) 2.886 1.000 1.000 ! spec=13C NOESY, no=191, id=1801
assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   69 and name   HN) 2.886 1.000 1.000 ! spec=13C NOESY, no=191, id=1801
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    5 and name   HN) 2.886 1.000 1.000 ! spec=13C NOESY, no=191, id=1801
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    5 and name   HN) 2.875 0.992 0.992 ! spec=13C NOESY, no=192, id=1802
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HG2) 2.875 0.992 0.992 ! spec=13C NOESY, no=192, id=1802
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    7 and name   HN) 2.875 0.992 0.992 ! spec=13C NOESY, no=192, id=1802
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    5 and name   HN) 2.875 0.992 0.992 ! spec=13C NOESY, no=192, id=1802
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid   13 and name   HN) 2.875 0.992 0.992 ! spec=13C NOESY, no=192, id=1802
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   86 and name  HE3) 2.898 2.898 3.102 ! spec=13C NOESY, no=194, id=1804
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid   49 and name   HN) 2.898 2.898 3.102 ! spec=13C NOESY, no=194, id=1804
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid   49 and name   HN) 2.898 2.898 3.102 ! spec=13C NOESY, no=194, id=1804
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   92 and name   HN) 2.969 2.969 3.031 ! spec=13C NOESY, no=198, id=1808
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   47 and name  HG2) 2.969 2.969 3.031 ! spec=13C NOESY, no=198, id=1808
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HB1) 2.426 0.706 0.706 ! spec=13C NOESY, no=199, id=1809
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HB1) 2.426 0.706 0.706 ! spec=13C NOESY, no=199, id=1809
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name   HB) 2.426 0.706 0.706 ! spec=13C NOESY, no=199, id=1809
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   48 and name  HB2) 2.514 0.758 0.758 ! spec=13C NOESY, no=200, id=1810
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   74 and name  HD1) 2.514 0.758 0.758 ! spec=13C NOESY, no=200, id=1810
assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid   50 and name   HB) 2.514 0.758 0.758 ! spec=13C NOESY, no=200, id=1810
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   64 and name   HA) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   64 and name   HA) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   64 and name   HA) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   45 and name  HD1) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   45 and name  HD1) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   45 and name  HD1) 3.220 1.244 1.244 ! spec=13C NOESY, no=203, id=1813
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   92 and name   HA) 3.017 1.092 1.092 ! spec=13C NOESY, no=204, id=1814
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   45 and name  HD1) 3.017 1.092 1.092 ! spec=13C NOESY, no=204, id=1814
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   45 and name  HD1) 3.017 1.092 1.092 ! spec=13C NOESY, no=204, id=1814
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   45 and name  HD1) 3.017 1.092 1.092 ! spec=13C NOESY, no=204, id=1814
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid  130 and name HD22) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid  130 and name HD21) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid  130 and name HD23) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  134 and name   HN) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  134 and name   HN) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  134 and name   HN) 2.836 2.836 3.164 ! spec=13C NOESY, no=205, id=1815
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD12) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD11) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD13) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD22) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD21) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD23) 3.173 1.208 1.208 ! spec=13C NOESY, no=207, id=1817
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD22) 2.431 2.431 3.569 ! spec=13C NOESY, no=208, id=1818
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD21) 2.431 2.431 3.569 ! spec=13C NOESY, no=208, id=1818
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD23) 2.431 2.431 3.569 ! spec=13C NOESY, no=208, id=1818
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HG2) 2.431 2.431 3.569 ! spec=13C NOESY, no=208, id=1818
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HG12) 2.507 2.507 3.493 ! spec=13C NOESY, no=211, id=1821
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   44 and name   HA) 2.507 2.507 3.493 ! spec=13C NOESY, no=211, id=1821
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   44 and name   HA) 2.507 2.507 3.493 ! spec=13C NOESY, no=211, id=1821
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   44 and name   HA) 2.507 2.507 3.493 ! spec=13C NOESY, no=211, id=1821
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name   HA) 2.507 2.507 3.493 ! spec=13C NOESY, no=211, id=1821
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   91 and name   HA) 2.237 0.601 0.601 ! spec=13C NOESY, no=213, id=1823
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name   HA) 2.237 0.601 0.601 ! spec=13C NOESY, no=213, id=1823
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name   HA) 2.237 0.601 0.601 ! spec=13C NOESY, no=213, id=1823
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name   HA) 2.237 0.601 0.601 ! spec=13C NOESY, no=213, id=1823
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name  HB2) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name  HB2) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name  HB2) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name   HG) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name   HG) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name   HG) 2.188 0.575 0.575 ! spec=13C NOESY, no=217, id=1827
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name HD22) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name HD21) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name HD23) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name HD22) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name HD21) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name HD23) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name HD22) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name HD21) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name HD23) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid   83 and name HG22) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
assign (segid "    " and resid   83 and name HG12) (segid "    " and resid   83 and name HG21) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid   83 and name HG23) 1.959 0.461 0.461 ! spec=13C NOESY, no=221, id=1831
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   63 and name   HN) 2.910 1.016 1.016 ! spec=13C NOESY, no=224, id=1834
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   63 and name   HN) 2.910 1.016 1.016 ! spec=13C NOESY, no=224, id=1834
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   63 and name   HN) 2.910 1.016 1.016 ! spec=13C NOESY, no=224, id=1834
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid  126 and name  HE1) 2.910 1.016 1.016 ! spec=13C NOESY, no=224, id=1834
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HG2) 2.910 1.016 1.016 ! spec=13C NOESY, no=224, id=1834
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   92 and name   HA) 3.178 1.212 1.212 ! spec=13C NOESY, no=225, id=1835
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid  108 and name   HA) 3.178 1.212 1.212 ! spec=13C NOESY, no=225, id=1835
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HA) 2.969 1.058 1.058 ! spec=13C NOESY, no=229, id=1839
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   12 and name   HN) 2.969 1.058 1.058 ! spec=13C NOESY, no=229, id=1839
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG12) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG11) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG13) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG12) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG11) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG13) 2.807 2.807 3.193 ! spec=13C NOESY, no=230, id=1840
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   10 and name   HA) 3.261 1.276 1.276 ! spec=13C NOESY, no=231, id=1841
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name   HA) 3.261 1.276 1.276 ! spec=13C NOESY, no=231, id=1841
! violated assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   29 and name  HD2) 3.261 1.276 1.276 ! spec=13C NOESY, no=231, id=1841
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   89 and name  HB2) 3.139 3.139 2.861 ! spec=13C NOESY, no=239, id=1849
assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   89 and name  HB1) 3.139 3.139 2.861 ! spec=13C NOESY, no=239, id=1849
! violated assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   89 and name  HB3) 3.139 3.139 2.861 ! spec=13C NOESY, no=239, id=1849
! violated assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   93 and name  HB1) 3.139 3.139 2.861 ! spec=13C NOESY, no=239, id=1849
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG12) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG11) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG13) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG22) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG21) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name HG23) 2.952 1.046 1.046 ! spec=13C NOESY, no=248, id=1857
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD22) 3.155 3.155 2.845 ! spec=13C NOESY, no=250, id=1859
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD21) 3.155 3.155 2.845 ! spec=13C NOESY, no=250, id=1859
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD23) 3.155 3.155 2.845 ! spec=13C NOESY, no=250, id=1859
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid   45 and name  HB2) 3.155 3.155 2.845 ! spec=13C NOESY, no=250, id=1859
assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  135 and name  HB1) 3.155 3.155 2.845 ! spec=13C NOESY, no=250, id=1859
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 2.442 0.716 0.716 ! spec=13C NOESY, no=252, id=1861
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name   HA) 2.442 0.716 0.716 ! spec=13C NOESY, no=252, id=1861
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   48 and name   HA) 2.556 2.556 3.444 ! spec=13C NOESY, no=253, id=1862
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   77 and name   HA) 2.556 2.556 3.444 ! spec=13C NOESY, no=253, id=1862
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name   HB) 3.007 1.085 1.085 ! spec=13C NOESY, no=261, id=1870
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    6 and name   HA) 3.007 1.085 1.085 ! spec=13C NOESY, no=261, id=1870
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HA) 3.007 1.085 1.085 ! spec=13C NOESY, no=261, id=1870
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG22) 2.944 1.040 1.040 ! spec=13C NOESY, no=265, id=1874
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG21) 2.944 1.040 1.040 ! spec=13C NOESY, no=265, id=1874
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG23) 2.944 1.040 1.040 ! spec=13C NOESY, no=265, id=1874
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid  109 and name   HA) 2.944 1.040 1.040 ! spec=13C NOESY, no=265, id=1874
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  103 and name HG12) 3.183 3.183 2.817 ! spec=13C NOESY, no=267, id=1876
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  103 and name HG11) 3.183 3.183 2.817 ! spec=13C NOESY, no=267, id=1876
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  103 and name HG13) 3.183 3.183 2.817 ! spec=13C NOESY, no=267, id=1876
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name   HG) 3.183 3.183 2.817 ! spec=13C NOESY, no=267, id=1876
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG12) 2.686 2.686 3.314 ! spec=13C NOESY, no=271, id=1880
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG11) 2.686 2.686 3.314 ! spec=13C NOESY, no=271, id=1880
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG13) 2.686 2.686 3.314 ! spec=13C NOESY, no=271, id=1880
assign (segid "    " and resid   83 and name HG12) (segid "    " and resid   82 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=271, id=1880
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD12) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD11) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD13) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD22) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
! violated assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD21) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
! violated assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD23) 2.513 2.513 3.487 ! spec=13C NOESY, no=274, id=1883
! violated assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   28 and name   HA) 2.640 2.640 3.360 ! spec=13C NOESY, no=275, id=1884
! violated assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   56 and name   HA) 2.640 2.640 3.360 ! spec=13C NOESY, no=275, id=1884
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.566 0.790 0.790 ! spec=13C NOESY, no=276, id=1885
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    7 and name   HA) 2.566 0.790 0.790 ! spec=13C NOESY, no=276, id=1885
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HA) 2.522 0.763 0.763 ! spec=13C NOESY, no=277, id=1886
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    7 and name   HA) 2.522 0.763 0.763 ! spec=13C NOESY, no=277, id=1886
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HE2) 3.073 1.133 1.133 ! spec=13C NOESY, no=278, id=1887
assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   70 and name  HE2) 3.073 1.133 1.133 ! spec=13C NOESY, no=278, id=1887
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG12) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG11) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name HG13) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG21) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG22) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG23) 2.336 2.336 3.664 ! spec=13C NOESY, no=281, id=1890
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE1) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE1) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HE2) 2.322 0.647 0.647 ! spec=13C NOESY, no=284, id=1893
assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name  HB1) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name  HD2) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB2) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB2) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB1) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB1) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
! violated assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HB1) 2.071 0.515 0.515 ! spec=13C NOESY, no=288, id=1897
! violated assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HA) 2.525 0.765 0.765 ! spec=13C NOESY, no=290, id=1899
! violated assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HA) 2.525 0.765 0.765 ! spec=13C NOESY, no=290, id=1899
! violated assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   74 and name  HD2) 2.525 0.765 0.765 ! spec=13C NOESY, no=290, id=1899
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE2) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE2) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE1) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE1) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HE2) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HE2) 2.159 0.559 0.559 ! spec=13C NOESY, no=291, id=1900
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HD2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HD2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HB2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HD2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HD2) 1.714 0.352 0.352 ! spec=13C NOESY, no=292, id=1901
! violated assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   20 and name  HG2) 2.827 0.959 0.959 ! spec=13C NOESY, no=293, id=1902
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   20 and name  HG1) 2.827 0.959 0.959 ! spec=13C NOESY, no=293, id=1902
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HG2) 2.395 0.688 0.688 ! spec=13C NOESY, no=294, id=1903
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HG2) 2.395 0.688 0.688 ! spec=13C NOESY, no=294, id=1903
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  114 and name   HB) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD22) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD21) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  124 and name HD23) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  135 and name  HB2) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  135 and name  HB1) 2.926 1.028 1.028 ! spec=13C NOESY, no=298, id=1907
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  135 and name  HB2) 2.776 0.925 0.925 ! spec=13C NOESY, no=299, id=1908
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid  135 and name  HD2) 2.776 0.925 0.925 ! spec=13C NOESY, no=299, id=1908
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name   HB) 3.063 3.063 2.937 ! spec=13C NOESY, no=301, id=1910
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   78 and name  HB1) 3.063 3.063 2.937 ! spec=13C NOESY, no=301, id=1910
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid   45 and name  HB2) 3.063 3.063 2.937 ! spec=13C NOESY, no=301, id=1910
! violated assign (segid "    " and resid  136 and name   HA) (segid "    " and resid   78 and name  HB1) 3.063 3.063 2.937 ! spec=13C NOESY, no=301, id=1910
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name   HA) 2.106 0.532 0.532 ! spec=13C NOESY, no=302, id=1911
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.106 0.532 0.532 ! spec=13C NOESY, no=302, id=1911
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 1.797 0.387 0.387 ! spec=13C NOESY, no=303, id=1912
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 1.797 0.387 0.387 ! spec=13C NOESY, no=303, id=1912
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   54 and name  HB2) 1.797 0.387 0.387 ! spec=13C NOESY, no=303, id=1912
assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name   HA) 2.163 0.561 0.561 ! spec=13C NOESY, no=304, id=1913
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   11 and name  HD2) 2.163 0.561 0.561 ! spec=13C NOESY, no=304, id=1913
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG21) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG22) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG23) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   20 and name  HG2) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG21) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG22) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG23) 2.987 1.071 1.071 ! spec=13C NOESY, no=305, id=1914
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   21 and name   HA) 2.756 2.756 3.244 ! spec=13C NOESY, no=307, id=1916
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   56 and name   HA) 2.756 2.756 3.244 ! spec=13C NOESY, no=307, id=1916
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   73 and name   HA) 2.756 2.756 3.244 ! spec=13C NOESY, no=307, id=1916
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    4 and name   HA) 3.164 1.202 1.202 ! spec=13C NOESY, no=308, id=1917
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name   HA) 3.164 1.202 1.202 ! spec=13C NOESY, no=308, id=1917
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name   HB) 3.164 1.202 1.202 ! spec=13C NOESY, no=308, id=1917
! violated assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name   HA) 3.164 1.202 1.202 ! spec=13C NOESY, no=308, id=1917
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   54 and name  HB2) 2.052 0.505 0.505 ! spec=13C NOESY, no=310, id=1919
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 2.052 0.505 0.505 ! spec=13C NOESY, no=310, id=1919
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 1.869 0.419 0.419 ! spec=13C NOESY, no=311, id=1920
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB2) 1.869 0.419 0.419 ! spec=13C NOESY, no=311, id=1920
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB1) 1.869 0.419 0.419 ! spec=13C NOESY, no=311, id=1920
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG21) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG22) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name HG23) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG21) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG22) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG23) 2.125 2.125 3.875 ! spec=13C NOESY, no=314, id=1923
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG21) 2.686 2.686 3.314 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG22) 2.686 2.686 3.314 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name HG23) 2.686 2.686 3.314 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid   50 and name   HN) 2.686 2.686 3.314 ! spec=13C NOESY, no=316, id=1925
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   55 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   55 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   55 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
! violated assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   77 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   77 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   77 and name  HE1) 2.483 2.483 3.517 ! spec=13C NOESY, no=319, id=1928
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   73 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   73 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   73 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   75 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   75 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   75 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid   49 and name   HA) 2.237 2.237 3.763 ! spec=13C NOESY, no=322, id=1931
! violated assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid  134 and name   HA) 1.965 0.463 0.463 ! spec=13C NOESY, no=323, id=1932
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   68 and name   HB) 1.965 0.463 0.463 ! spec=13C NOESY, no=323, id=1932
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   68 and name   HB) 1.965 0.463 0.463 ! spec=13C NOESY, no=323, id=1932
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   68 and name   HB) 1.965 0.463 0.463 ! spec=13C NOESY, no=323, id=1932
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HG2) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HG2) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HG2) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HG1) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HG1) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HG1) 2.778 2.778 3.222 ! spec=13C NOESY, no=325, id=1934
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HB2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HG2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HG2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HG2) 2.745 2.745 3.255 ! spec=13C NOESY, no=326, id=1935
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   54 and name  HB2) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   54 and name  HB2) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   54 and name  HB2) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   69 and name  HB1) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   69 and name  HB1) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
! violated assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   69 and name  HB1) 2.596 2.596 3.404 ! spec=13C NOESY, no=327, id=1936
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   73 and name  HB1) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   73 and name  HB1) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   73 and name  HB1) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
assign (segid "    " and resid   68 and name HG21) (segid "    " and resid   73 and name  HD2) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
! violated assign (segid "    " and resid   68 and name HG22) (segid "    " and resid   73 and name  HD2) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
assign (segid "    " and resid   68 and name HG23) (segid "    " and resid   73 and name  HD2) 2.755 2.755 3.245 ! spec=13C NOESY, no=328, id=1937
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG12) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG11) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HG13) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG12) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG11) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG13) 2.446 2.446 3.554 ! spec=13C NOESY, no=331, id=1940
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG12) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG11) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG13) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG12) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG11) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG13) 3.195 1.225 1.225 ! spec=13C NOESY, no=332, id=1941
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG12) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG11) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name HG13) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   79 and name HG12) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   79 and name HG11) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   79 and name HG13) 2.741 2.741 3.259 ! spec=13C NOESY, no=335, id=1944
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   51 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   51 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   51 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   78 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   78 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   78 and name   HA) 2.948 2.948 3.052 ! spec=13C NOESY, no=339, id=1948
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   48 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   48 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   48 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=340, id=1949
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   46 and name  HA2) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   46 and name  HA2) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   46 and name  HA2) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name   HA) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name   HA) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name   HA) 2.519 2.519 3.481 ! spec=13C NOESY, no=341, id=1950
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   46 and name  HA2) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   46 and name  HA2) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   46 and name  HA2) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG12) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG11) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   79 and name HG13) 2.531 2.531 3.469 ! spec=13C NOESY, no=342, id=1951
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   87 and name   HB) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   87 and name   HB) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   87 and name   HB) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   88 and name   HA) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   88 and name   HA) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   88 and name   HA) 2.619 2.619 3.381 ! spec=13C NOESY, no=343, id=1952
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG12) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG11) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name HG13) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   87 and name   HA) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   87 and name   HA) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   87 and name   HA) 2.069 0.513 0.513 ! spec=13C NOESY, no=344, id=1953
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   47 and name  HG2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   47 and name  HG2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   47 and name  HG2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   89 and name  HB2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   89 and name  HB1) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   89 and name  HB3) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   89 and name  HB2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   89 and name  HB1) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   89 and name  HB3) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   89 and name  HB2) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   89 and name  HB1) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   89 and name  HB3) 2.912 2.912 3.088 ! spec=13C NOESY, no=350, id=1959
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.102 0.530 0.530 ! spec=13C NOESY, no=351, id=1960
! violated assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   69 and name   HA) 2.102 0.530 0.530 ! spec=13C NOESY, no=351, id=1960
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG21) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG22) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   17 and name HG23) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG21) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG22) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name HG23) 2.562 2.562 3.438 ! spec=13C NOESY, no=355, id=1964
! violated assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   18 and name   HA) 3.258 3.258 2.742 ! spec=13C NOESY, no=358, id=1966
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   25 and name   HA) 3.258 3.258 2.742 ! spec=13C NOESY, no=358, id=1966
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   90 and name   HA) 2.190 0.575 0.575 ! spec=13C NOESY, no=361, id=1969
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.190 0.575 0.575 ! spec=13C NOESY, no=361, id=1969
! violated assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HE2) 3.048 1.114 1.114 ! spec=13C NOESY, no=363, id=1971
! violated assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name  HB1) 3.048 1.114 1.114 ! spec=13C NOESY, no=363, id=1971
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.114 0.536 0.536 ! spec=13C NOESY, no=365, id=1973
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.114 0.536 0.536 ! spec=13C NOESY, no=365, id=1973
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  123 and name HG21) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  123 and name HG22) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  123 and name HG23) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  123 and name HG21) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  123 and name HG22) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  123 and name HG23) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  123 and name HG21) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  123 and name HG22) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  123 and name HG23) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  123 and name HG21) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  123 and name HG22) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  123 and name HG23) 2.302 2.302 3.698 ! spec=13C NOESY, no=367, id=1975
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid  123 and name HG21) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid  123 and name HG22) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid  123 and name HG23) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  105 and name   HN) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  105 and name   HN) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  105 and name   HN) 2.774 0.923 0.923 ! spec=13C NOESY, no=368, id=1976
! violated assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   45 and name  HD1) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   45 and name  HD1) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   45 and name  HD1) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   12 and name  HA2) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   12 and name  HA2) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   12 and name  HA2) 2.966 2.966 3.034 ! spec=13C NOESY, no=369, id=1977
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   86 and name   HA) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   86 and name   HA) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   86 and name   HA) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   12 and name  HA1) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   12 and name  HA1) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   12 and name  HA1) 2.104 2.104 3.896 ! spec=13C NOESY, no=370, id=1978
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   45 and name  HG1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   45 and name  HG1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   45 and name  HG1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  107 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  107 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  107 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  124 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  124 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  124 and name  HB1) 1.939 1.939 4.061 ! spec=13C NOESY, no=373, id=1981
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   50 and name   HN) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   50 and name   HN) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   50 and name   HN) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG22) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG21) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG23) 2.707 2.707 3.293 ! spec=13C NOESY, no=377, id=1985
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   50 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   50 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   50 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   52 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   52 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   52 and name   HB) 2.773 2.773 3.227 ! spec=13C NOESY, no=383, id=1991
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   77 and name  HD1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   77 and name  HD1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   77 and name  HD1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   77 and name  HE1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   77 and name  HE1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   77 and name  HE1) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   86 and name  HZ3) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   86 and name  HZ3) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   86 and name  HZ3) 2.455 2.455 3.545 ! spec=13C NOESY, no=391, id=1999
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   77 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   77 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   77 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   86 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   86 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   86 and name  HB2) 2.930 2.930 3.070 ! spec=13C NOESY, no=394, id=2002
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   19 and name   HN) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   19 and name   HN) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   19 and name   HN) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG22) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG21) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name HG23) 2.589 2.589 3.411 ! spec=13C NOESY, no=406, id=2014
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   23 and name  HG1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   23 and name  HG1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   23 and name  HG1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   33 and name  HB2) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   33 and name  HB2) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   33 and name  HB2) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid  100 and name  HB1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid  100 and name  HB1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid  100 and name  HB1) 2.468 2.468 3.532 ! spec=13C NOESY, no=408, id=2016
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   34 and name  HD1) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   34 and name  HD1) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   34 and name  HD1) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   34 and name   HA) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   34 and name   HA) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   34 and name   HA) 3.123 3.123 2.877 ! spec=13C NOESY, no=417, id=2025
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   20 and name   HA) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   20 and name   HA) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   20 and name   HA) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   23 and name  HD2) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   23 and name  HD2) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   23 and name  HD2) 2.459 2.459 3.541 ! spec=13C NOESY, no=422, id=2030
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   22 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   22 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   22 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name  HE2) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name  HE2) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name  HE2) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name  HE1) 2.733 2.733 3.267 ! spec=13C NOESY, no=424, id=2032
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   25 and name   HB) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   25 and name   HB) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   25 and name   HB) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name  HB2) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name  HB2) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name  HB2) 1.863 0.417 0.417 ! spec=13C NOESY, no=425, id=2033
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HA) 2.541 0.775 0.775 ! spec=13C NOESY, no=428, id=2036
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name   HA) 2.541 0.775 0.775 ! spec=13C NOESY, no=428, id=2036
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   16 and name   HA) 2.807 0.946 0.946 ! spec=13C NOESY, no=429, id=2037
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name   HA) 2.807 0.946 0.946 ! spec=13C NOESY, no=429, id=2037
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name   HA) 2.597 0.809 0.809 ! spec=13C NOESY, no=431, id=2039
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name   HA) 2.597 0.809 0.809 ! spec=13C NOESY, no=431, id=2039
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name   HA) 3.004 1.083 1.083 ! spec=13C NOESY, no=432, id=2040
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   15 and name   HA) 3.004 1.083 1.083 ! spec=13C NOESY, no=432, id=2040
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HA) 3.004 1.083 1.083 ! spec=13C NOESY, no=432, id=2040
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.571 0.793 0.793 ! spec=13C NOESY, no=435, id=2043
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HG) 2.571 0.793 0.793 ! spec=13C NOESY, no=435, id=2043
! violated assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HA) 2.572 0.794 0.794 ! spec=13C NOESY, no=440, id=2048
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   93 and name  HB1) 2.572 0.794 0.794 ! spec=13C NOESY, no=440, id=2048
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG12) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG11) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG13) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   90 and name   HA) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   90 and name   HA) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   90 and name   HA) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD12) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD11) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name HD13) 2.105 2.105 3.895 ! spec=13C NOESY, no=441, id=2049
! violated assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   50 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
! violated assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   50 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
! violated assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   50 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   59 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
! violated assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   59 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   59 and name   HA) 2.015 2.015 3.985 ! spec=13C NOESY, no=444, id=2052
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name  HB2) 2.352 0.664 0.664 ! spec=13C NOESY, no=463, id=2059
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   93 and name  HB2) 2.352 0.664 0.664 ! spec=13C NOESY, no=463, id=2059
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.275 0.621 0.621 ! spec=13C NOESY, no=471, id=2067
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.275 0.621 0.621 ! spec=13C NOESY, no=471, id=2067
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   91 and name  HB2) 2.275 0.621 0.621 ! spec=13C NOESY, no=471, id=2067
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name   HA) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name   HA) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name   HA) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   90 and name  HB2) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD22) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD21) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD23) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   59 and name HD22) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   59 and name HD21) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   59 and name HD23) 2.706 0.879 0.879 ! spec=13C NOESY, no=472, id=2068
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HA) 2.852 2.852 3.148 ! spec=13C NOESY, no=476, id=2072
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   90 and name   HN) 2.852 2.852 3.148 ! spec=13C NOESY, no=476, id=2072
! violated assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HE2) 3.044 1.112 1.112 ! spec=13C NOESY, no=481, id=2077
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    3 and name  HE1) 3.044 1.112 1.112 ! spec=13C NOESY, no=481, id=2077
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.039 0.499 0.499 ! spec=13C NOESY, no=483, id=2079
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   91 and name  HB2) 2.039 0.499 0.499 ! spec=13C NOESY, no=483, id=2079
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA) 2.164 0.562 0.562 ! spec=13C NOESY, no=484, id=2080
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.164 0.562 0.562 ! spec=13C NOESY, no=484, id=2080
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name   HA) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name   HA) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name   HA) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   90 and name  HB2) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD22) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD21) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   92 and name HD23) 2.826 0.958 0.958 ! spec=13C NOESY, no=485, id=2081
! violated assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   54 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
! violated assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   54 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
! violated assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   54 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
! violated assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   55 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   55 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   55 and name   HN) 3.070 3.070 2.930 ! spec=13C NOESY, no=487, id=2083
! violated assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   68 and name   HB) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   68 and name   HB) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   68 and name   HB) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   74 and name   HA) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   74 and name   HA) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   74 and name   HA) 2.558 2.558 3.442 ! spec=13C NOESY, no=496, id=2092
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  134 and name   HN) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  134 and name   HN) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  134 and name   HN) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG22) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG21) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG23) 2.492 2.492 3.508 ! spec=13C NOESY, no=511, id=2093
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG21) 3.177 3.177 2.823 ! spec=13C NOESY, no=512, id=2094
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG22) 3.177 3.177 2.823 ! spec=13C NOESY, no=512, id=2094
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG23) 3.177 3.177 2.823 ! spec=13C NOESY, no=512, id=2094
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name   HG) 3.177 3.177 2.823 ! spec=13C NOESY, no=512, id=2094
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    2 and name   HA) 2.690 2.690 3.310 ! spec=13C NOESY, no=513, id=2095
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    2 and name   HA) 2.690 2.690 3.310 ! spec=13C NOESY, no=513, id=2095
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   93 and name   HN) 2.822 0.955 0.955 ! spec=13C NOESY, no=515, id=2097
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  122 and name   HA) 2.822 0.955 0.955 ! spec=13C NOESY, no=515, id=2097
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   91 and name  HG2) 2.456 0.724 0.724 ! spec=13C NOESY, no=518, id=2100
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  122 and name  HB1) 2.456 0.724 0.724 ! spec=13C NOESY, no=518, id=2100
assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    4 and name   HA) 2.726 0.892 0.892 ! spec=13C NOESY, no=522, id=2104
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   44 and name  HB1) 2.726 0.892 0.892 ! spec=13C NOESY, no=522, id=2104
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG21) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG22) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG23) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG21) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG22) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG23) 2.103 2.103 3.897 ! spec=13C NOESY, no=526, id=2108
assign (segid "    " and resid   71 and name HG21) (segid "    " and resid   71 and name   HA) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
assign (segid "    " and resid   71 and name HG22) (segid "    " and resid   71 and name   HA) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
assign (segid "    " and resid   71 and name HG23) (segid "    " and resid   71 and name   HA) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
assign (segid "    " and resid   71 and name HG21) (segid "    " and resid   71 and name   HB) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
assign (segid "    " and resid   71 and name HG22) (segid "    " and resid   71 and name   HB) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
assign (segid "    " and resid   71 and name HG23) (segid "    " and resid   71 and name   HB) 1.582 1.582 4.418 ! spec=13C NOESY, no=527, id=2109
! violated assign (segid "    " and resid   53 and name HG22) (segid "    " and resid   51 and name   HB) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
! violated assign (segid "    " and resid   53 and name HG21) (segid "    " and resid   51 and name   HB) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
! violated assign (segid "    " and resid   53 and name HG23) (segid "    " and resid   51 and name   HB) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
! violated assign (segid "    " and resid   53 and name HG22) (segid "    " and resid   74 and name  HB1) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   53 and name HG21) (segid "    " and resid   74 and name  HB1) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   53 and name HG23) (segid "    " and resid   74 and name  HB1) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   71 and name HG21) (segid "    " and resid   70 and name  HB2) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   71 and name HG22) (segid "    " and resid   70 and name  HB2) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   71 and name HG23) (segid "    " and resid   70 and name  HB2) 2.172 2.172 3.828 ! spec=13C NOESY, no=529, id=2111
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG22) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG21) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG23) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG21) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG22) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG23) 2.298 2.298 3.702 ! spec=13C NOESY, no=531, id=2113
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   49 and name   HN) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   49 and name   HN) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   49 and name   HN) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   87 and name HG21) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   87 and name HG22) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   87 and name HG23) 2.772 2.772 3.228 ! spec=13C NOESY, no=533, id=2115
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG21) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG22) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG23) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   87 and name HG21) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   87 and name HG22) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   87 and name HG23) 2.598 2.598 3.402 ! spec=13C NOESY, no=536, id=2118
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   47 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   47 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   47 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   87 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   87 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   87 and name   HA) 2.096 0.527 0.527 ! spec=13C NOESY, no=539, id=2121
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   86 and name  HB2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   86 and name  HB2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   86 and name  HB2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid    9 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid    9 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid    9 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   11 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   11 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   11 and name  HE2) 2.373 2.373 3.627 ! spec=13C NOESY, no=540, id=2122
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   13 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   13 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   13 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   91 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   91 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   91 and name  HG1) 2.566 2.566 3.434 ! spec=13C NOESY, no=541, id=2123
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HA) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HA) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HA) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   87 and name   HB) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   87 and name   HB) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   87 and name   HB) 1.727 1.727 4.273 ! spec=13C NOESY, no=546, id=2128
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   11 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   11 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   11 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   88 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   88 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   88 and name  HB2) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   90 and name  HB1) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   90 and name  HB1) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   90 and name  HB1) 2.326 2.326 3.674 ! spec=13C NOESY, no=549, id=2131
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   28 and name HD12) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   28 and name HD11) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   28 and name HD13) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   59 and name HD22) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   59 and name HD21) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   59 and name HD23) 2.224 2.224 3.776 ! spec=13C NOESY, no=551, id=2133
! violated assign (segid "    " and resid   59 and name HD22) (segid "    " and resid    8 and name HD22) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
assign (segid "    " and resid   59 and name HD21) (segid "    " and resid    8 and name HD22) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
assign (segid "    " and resid   59 and name HD23) (segid "    " and resid    8 and name HD22) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD22) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD21) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD23) 2.646 2.646 3.354 ! spec=13C NOESY, no=552, id=2134
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name HD12) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name HD11) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   92 and name HD13) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG12) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG11) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG13) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG12) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG11) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG13) 2.212 2.212 3.788 ! spec=13C NOESY, no=553, id=2135
! violated assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   65 and name   HZ) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   65 and name   HZ) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   65 and name   HZ) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   99 and name  HE3) 2.746 2.746 3.254 ! spec=13C NOESY, no=554, id=2136
assign (segid "    " and resid   59 and name HD22) (segid "    " and resid  117 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   59 and name HD21) (segid "    " and resid  117 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
assign (segid "    " and resid   59 and name HD23) (segid "    " and resid  117 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   91 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   91 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   91 and name  HB1) 2.128 2.128 3.872 ! spec=13C NOESY, no=556, id=2138
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name   HA) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name   HA) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name   HA) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   45 and name  HD1) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   45 and name  HD1) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   45 and name  HD1) 1.815 0.395 0.395 ! spec=13C NOESY, no=563, id=2145
assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name   HG) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name   HG) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name   HG) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HB) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HB) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HB) 1.815 0.395 0.395 ! spec=13C NOESY, no=564, id=2146
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG22) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG21) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG23) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG22) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG21) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG23) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  133 and name HG22) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  133 and name HG21) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  133 and name HG23) 2.600 2.600 3.400 ! spec=13C NOESY, no=565, id=2147
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name  HB2) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name  HB2) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name  HB2) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HB) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HB) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HB) 1.939 0.451 0.451 ! spec=13C NOESY, no=567, id=2149
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG22) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG21) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG23) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  133 and name HG22) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  133 and name HG21) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  133 and name HG23) 2.750 0.908 0.908 ! spec=13C NOESY, no=569, id=2151
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   50 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   50 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   50 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=578, id=2160
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   83 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   83 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   83 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   43 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   43 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   43 and name   HA) 2.714 2.714 3.286 ! spec=13C NOESY, no=579, id=2161
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   90 and name   HG) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   90 and name   HG) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   90 and name   HG) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   45 and name  HB2) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   45 and name  HB2) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   45 and name  HB2) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   51 and name   HB) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  130 and name  HB1) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  130 and name  HB1) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  130 and name  HB1) 1.946 1.946 4.054 ! spec=13C NOESY, no=581, id=2163
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  132 and name  HB2) 2.124 0.541 0.541 ! spec=13C NOESY, no=603, id=2168
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  132 and name  HB1) 2.124 0.541 0.541 ! spec=13C NOESY, no=603, id=2168
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG22) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG21) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG23) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG21) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG22) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   52 and name HG23) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name  HB2) 3.131 3.131 2.869 ! spec=13C NOESY, no=606, id=2171
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD22) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD21) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD23) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG22) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG21) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG23) 2.481 0.739 0.739 ! spec=13C NOESY, no=607, id=2172
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   60 and name HG22) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   60 and name HG21) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid   60 and name HG23) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD22) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD21) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  130 and name HD23) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG22) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG21) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid  133 and name HG23) 3.144 1.186 1.186 ! spec=13C NOESY, no=608, id=2173
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    6 and name   HA) 2.878 0.994 0.994 ! spec=13C NOESY, no=610, id=2175
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  121 and name   HA) 2.878 0.994 0.994 ! spec=13C NOESY, no=610, id=2175
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  123 and name   HB) 2.878 0.994 0.994 ! spec=13C NOESY, no=610, id=2175
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   34 and name   HN) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   34 and name   HN) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   34 and name   HN) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   28 and name HD12) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   28 and name HD11) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   28 and name HD13) 2.845 2.845 3.155 ! spec=13C NOESY, no=614, id=2179
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   47 and name   HN) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   47 and name   HN) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   47 and name   HN) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG21) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG22) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name HG23) 2.976 1.062 1.062 ! spec=13C NOESY, no=616, id=2181
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG22) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG21) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG23) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD12) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
! violated assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD11) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
! violated assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD13) 2.903 1.011 1.011 ! spec=13C NOESY, no=617, id=2182
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   15 and name  HD1) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   15 and name  HD1) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   15 and name  HD1) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD12) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD11) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD13) 2.440 2.440 3.560 ! spec=13C NOESY, no=619, id=2184
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid  102 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid  102 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid  102 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD22) (segid "    " and resid   65 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD21) (segid "    " and resid   65 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD23) (segid "    " and resid   65 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD22) (segid "    " and resid  124 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD21) (segid "    " and resid  124 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid   59 and name HD23) (segid "    " and resid  124 and name   HA) 2.444 2.444 3.556 ! spec=13C NOESY, no=622, id=2187
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   50 and name   HN) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   50 and name   HN) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   50 and name   HN) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  133 and name HG22) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  133 and name HG21) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  133 and name HG23) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  133 and name HG22) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  133 and name HG21) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  133 and name HG23) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   27 and name HG12) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   27 and name HG11) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   27 and name HG13) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HG22) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HG21) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HG23) 2.391 2.391 3.609 ! spec=13C NOESY, no=626, id=2191
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name  HD1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name  HD1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name  HD1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name  HE1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name  HE1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name  HE1) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HZ3) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HZ3) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HZ3) 3.038 1.108 1.108 ! spec=13C NOESY, no=628, id=2193
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG12) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG11) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG13) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   36 and name   HN) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   36 and name   HN) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   36 and name   HN) 2.944 2.944 3.056 ! spec=13C NOESY, no=630, id=2195
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG12) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG11) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   25 and name HG13) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   21 and name   HN) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   21 and name   HN) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   21 and name   HN) 2.387 2.387 3.613 ! spec=13C NOESY, no=635, id=2200
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   33 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   33 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   33 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   34 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   34 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   34 and name   HA) 2.580 2.580 3.420 ! spec=13C NOESY, no=637, id=2202
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   19 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   19 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   19 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   26 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   26 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   26 and name   HA) 2.610 2.610 3.390 ! spec=13C NOESY, no=640, id=2205
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   19 and name  HB2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   19 and name  HB2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   19 and name  HB2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   20 and name  HG1) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   20 and name  HG1) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   20 and name  HG1) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   22 and name  HD2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   22 and name  HD2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   22 and name  HD2) 2.807 2.807 3.193 ! spec=13C NOESY, no=647, id=2212
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   25 and name HG12) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   25 and name HG11) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   25 and name HG13) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   25 and name HG12) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   25 and name HG11) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   25 and name HG13) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   25 and name HG12) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   25 and name HG11) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   25 and name HG13) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG22) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG21) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG23) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG22) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG21) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG23) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG22) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG21) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG23) 2.192 2.192 3.808 ! spec=13C NOESY, no=648, id=2213
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.285 0.627 0.627 ! spec=13C NOESY, no=650, id=2215
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name   HA) 2.285 0.627 0.627 ! spec=13C NOESY, no=650, id=2215
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    6 and name   HA) 2.514 0.758 0.758 ! spec=13C NOESY, no=656, id=2221
! violated assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    6 and name   HA) 2.514 0.758 0.758 ! spec=13C NOESY, no=656, id=2221
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    6 and name   HA) 2.994 1.075 1.075 ! spec=13C NOESY, no=657, id=2222
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  122 and name   HA) 2.994 1.075 1.075 ! spec=13C NOESY, no=657, id=2222
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  122 and name   HA) 2.994 1.075 1.075 ! spec=13C NOESY, no=657, id=2222
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    9 and name  HE2) 2.985 1.070 1.070 ! spec=13C NOESY, no=659, id=2224
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid    8 and name  HB1) 2.985 1.070 1.070 ! spec=13C NOESY, no=659, id=2224
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid  122 and name   HA) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
! violated assign (segid "    " and resid  123 and name HG22) (segid "    " and resid  122 and name   HA) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
! violated assign (segid "    " and resid  123 and name HG23) (segid "    " and resid  122 and name   HA) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   10 and name HG12) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   10 and name HG11) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
! violated assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   10 and name HG13) 2.829 2.829 3.171 ! spec=13C NOESY, no=660, id=2225
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG21) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG22) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG23) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   14 and name   HN) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   14 and name   HN) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   14 and name   HN) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG21) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG22) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG23) 2.140 2.140 3.860 ! spec=13C NOESY, no=663, id=2227
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG21) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG22) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG23) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
assign (segid "    " and resid   17 and name HG21) (segid "    " and resid   21 and name HD22) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
assign (segid "    " and resid   17 and name HG22) (segid "    " and resid   21 and name HD22) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
assign (segid "    " and resid   17 and name HG23) (segid "    " and resid   21 and name HD22) 2.197 2.197 3.803 ! spec=13C NOESY, no=664, id=2228
! violated assign (segid "    " and resid   17 and name HG21) (segid "    " and resid   17 and name   HA) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
assign (segid "    " and resid   17 and name HG22) (segid "    " and resid   17 and name   HA) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
! violated assign (segid "    " and resid   17 and name HG23) (segid "    " and resid   17 and name   HA) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
assign (segid "    " and resid   17 and name HG21) (segid "    " and resid   17 and name   HB) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
! violated assign (segid "    " and resid   17 and name HG22) (segid "    " and resid   17 and name   HB) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
assign (segid "    " and resid   17 and name HG23) (segid "    " and resid   17 and name   HB) 1.865 0.417 0.417 ! spec=13C NOESY, no=666, id=2230
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   47 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   47 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   47 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   86 and name  HB2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   86 and name  HB2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   86 and name  HB2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid    9 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid    9 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid    9 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   11 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   11 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   11 and name  HE2) 2.346 2.346 3.654 ! spec=13C NOESY, no=668, id=2232
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   12 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   12 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   12 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   14 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   14 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   14 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name HD22) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name HD21) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name HD23) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD22) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD21) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD23) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   31 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   31 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   31 and name   HN) 2.596 2.596 3.404 ! spec=13C NOESY, no=669, id=2233
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG21) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG22) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG23) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG21) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG22) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG23) 2.436 2.436 3.564 ! spec=13C NOESY, no=671, id=2235
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG22) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG21) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG23) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   31 and name  HA1) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HD2) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HD2) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HD2) 2.738 2.738 3.262 ! spec=13C NOESY, no=674, id=2238
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   28 and name  HB2) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name  HB2) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   28 and name  HB2) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   28 and name   HG) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name   HG) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   28 and name   HG) 2.079 0.519 0.519 ! spec=13C NOESY, no=675, id=2239
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   28 and name   HG) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name   HG) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   28 and name   HG) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HB2) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HB2) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HB2) 1.988 0.474 0.474 ! spec=13C NOESY, no=676, id=2240
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   60 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   60 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   60 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   60 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   60 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   60 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   60 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   60 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   60 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name HG22) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name HG21) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name HG23) 2.252 2.252 3.748 ! spec=13C NOESY, no=678, id=2242
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG21) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG22) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   50 and name HG23) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG21) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG22) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG23) 2.633 0.832 0.832 ! spec=13C NOESY, no=680, id=2244
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD22) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD21) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD23) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG21) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG22) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG23) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG21) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG22) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG23) 2.330 2.330 3.670 ! spec=13C NOESY, no=684, id=2248
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   64 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name   HA) 2.108 0.533 0.533 ! spec=13C NOESY, no=688, id=2252
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name   HB) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name   HB) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name   HB) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
! violated assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   32 and name  HB2) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   32 and name  HB2) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   32 and name  HB2) 2.213 0.588 0.588 ! spec=13C NOESY, no=689, id=2253
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   33 and name   HA) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   33 and name   HA) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   33 and name   HA) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   34 and name  HD1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   34 and name  HD1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   34 and name  HD1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   34 and name  HE1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   34 and name  HE1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   34 and name  HE1) 2.379 2.379 3.621 ! spec=13C NOESY, no=694, id=2258
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG12) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG11) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG13) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG22) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG21) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   27 and name HG23) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   67 and name  HB2) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   67 and name  HB2) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   67 and name  HB2) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   95 and name   HA) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   95 and name   HA) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   95 and name   HA) 2.209 2.209 3.791 ! spec=13C NOESY, no=696, id=2260
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HE2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HE2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HE2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HB2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HB2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HB2) 2.403 0.693 0.693 ! spec=13C NOESY, no=697, id=2261
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   64 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   27 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   27 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   27 and name   HB) 1.787 0.383 0.383 ! spec=13C NOESY, no=699, id=2263
assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HB1) 2.576 0.796 0.796 ! spec=13C NOESY, no=706, id=2270
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   32 and name   HA) 3.146 1.188 1.188 ! spec=13C NOESY, no=708, id=2272
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name   HA) 3.146 1.188 1.188 ! spec=13C NOESY, no=708, id=2272
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HG2) 3.035 1.105 1.105 ! spec=13C NOESY, no=709, id=2273
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HG1) 3.035 1.105 1.105 ! spec=13C NOESY, no=709, id=2273
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  103 and name   HA) 2.643 0.839 0.839 ! spec=13C NOESY, no=713, id=2277
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HD1) 2.643 0.839 0.839 ! spec=13C NOESY, no=713, id=2277
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name  HG1) 3.221 1.245 1.245 ! spec=13C NOESY, no=715, id=2279
! violated assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  102 and name  HB2) 3.221 1.245 1.245 ! spec=13C NOESY, no=715, id=2279
! violated assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name  HB1) 3.211 1.238 1.238 ! spec=13C NOESY, no=716, id=2280
! violated assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name  HG2) 3.211 1.238 1.238 ! spec=13C NOESY, no=716, id=2280
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   53 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   53 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   53 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   76 and name HG21) (segid "    " and resid   76 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   76 and name HG22) (segid "    " and resid   76 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   76 and name HG23) (segid "    " and resid   76 and name   HA) 2.066 2.066 3.934 ! spec=13C NOESY, no=721, id=2285
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid  102 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid  102 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid  102 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   77 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   77 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   77 and name  HB1) 3.067 3.067 2.933 ! spec=13C NOESY, no=723, id=2287
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HN) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HN) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HN) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG22) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG21) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG23) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG21) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG22) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG23) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG21) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG22) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name HG23) 2.007 2.007 3.993 ! spec=13C NOESY, no=724, id=2288
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name HG12) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name HG11) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name HG13) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   34 and name   HN) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   34 and name   HN) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   34 and name   HN) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG12) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG11) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   64 and name HG13) 2.744 2.744 3.256 ! spec=13C NOESY, no=725, id=2289
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   19 and name HD22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   19 and name HD22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   19 and name HD22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   16 and name HD22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   16 and name HD21) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   16 and name HD23) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   27 and name HG22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   27 and name HG21) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   27 and name HG23) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG21) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG22) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG23) 3.064 3.064 2.936 ! spec=13C NOESY, no=727, id=2291
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD22) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD21) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD23) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG21) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG22) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG23) 2.381 0.681 0.681 ! spec=13C NOESY, no=728, id=2292
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HA) 2.026 2.026 3.974 ! spec=13C NOESY, no=730, id=2294
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   31 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HD2) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HD2) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HD2) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name   HA) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name   HA) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name   HA) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   62 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   62 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   62 and name  HA1) 2.555 2.555 3.445 ! spec=13C NOESY, no=731, id=2295
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   33 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   33 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   33 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   78 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   78 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   78 and name  HG2) 2.237 0.601 0.601 ! spec=13C NOESY, no=734, id=2298
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HB1) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HB1) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HB1) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   64 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   64 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   64 and name   HB) 1.754 0.369 0.369 ! spec=13C NOESY, no=735, id=2299
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
! violated assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HB2) 2.173 0.567 0.567 ! spec=13C NOESY, no=736, id=2300
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   44 and name  HB1) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   44 and name  HB1) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   44 and name  HB1) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name  HG2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name  HG2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name  HG2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  134 and name  HB2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  134 and name  HB2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  134 and name  HB2) 2.374 2.374 3.626 ! spec=13C NOESY, no=738, id=2302
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HB2) 1.976 0.469 0.469 ! spec=13C NOESY, no=754, id=2309
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HB1) 1.976 0.469 0.469 ! spec=13C NOESY, no=754, id=2309
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   83 and name HG12) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   90 and name HD12) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   90 and name HD11) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   90 and name HD13) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG22) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG21) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG23) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   43 and name HG22) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   43 and name HG21) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   43 and name HG23) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   51 and name HG22) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   51 and name HG21) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   51 and name HG23) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  135 and name   HA) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  135 and name   HA) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  135 and name   HA) 2.772 2.772 3.228 ! spec=13C NOESY, no=756, id=2311
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   79 and name   HA) 2.932 2.932 3.068 ! spec=13C NOESY, no=761, id=2316
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  105 and name  HB2) 2.932 2.932 3.068 ! spec=13C NOESY, no=761, id=2316
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  120 and name  HD2) 2.932 2.932 3.068 ! spec=13C NOESY, no=761, id=2316
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG12) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG11) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG13) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD22) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD21) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD23) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG21) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG22) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG23) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG21) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG22) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name HG23) 2.244 2.244 3.756 ! spec=13C NOESY, no=766, id=2321
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   64 and name   HA) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   64 and name   HA) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   64 and name   HA) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD22) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD21) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   16 and name HD23) 2.337 0.655 0.655 ! spec=13C NOESY, no=768, id=2323
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   50 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
! violated assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   50 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   50 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   52 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   52 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   52 and name   HB) 1.896 0.432 0.432 ! spec=13C NOESY, no=769, id=2324
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HB) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HB) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HB) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   16 and name   HG) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   16 and name   HG) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   16 and name   HG) 1.764 0.374 0.374 ! spec=13C NOESY, no=770, id=2325
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HB2) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid  133 and name   HB) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid  133 and name   HB) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
assign (segid "    " and resid   43 and name HG23) (segid "    " and resid  133 and name   HB) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid  134 and name  HB1) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   50 and name HG22) (segid "    " and resid  134 and name  HB1) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid  134 and name  HB1) 2.140 0.550 0.550 ! spec=13C NOESY, no=772, id=2327
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG21) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG22) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG23) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG22) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG21) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG23) 1.846 0.409 0.409 ! spec=13C NOESY, no=773, id=2328
! violated assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   43 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   43 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   43 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   64 and name   HB) 1.743 0.365 0.365 ! spec=13C NOESY, no=774, id=2329
! violated assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   45 and name  HD1) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   45 and name  HD1) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   45 and name  HD1) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   29 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   29 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   29 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   32 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   32 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   32 and name   HA) 2.195 2.195 3.805 ! spec=13C NOESY, no=777, id=2332
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   56 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   56 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   56 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   66 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   66 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   66 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   28 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   28 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   28 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=779, id=2334
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG12) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG11) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  133 and name HG13) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG12) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG11) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
! violated assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  133 and name HG13) 2.748 2.748 3.252 ! spec=13C NOESY, no=782, id=2337
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG12) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG11) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  133 and name HG13) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG12) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG11) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG13) 2.505 2.505 3.495 ! spec=13C NOESY, no=783, id=2338
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   49 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
! violated assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   49 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   49 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   50 and name   HA) 2.649 2.649 3.351 ! spec=13C NOESY, no=787, id=2342
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HA) 1.970 1.970 4.030 ! spec=13C NOESY, no=788, id=2343
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name  HG1) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name  HG1) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name  HG1) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HB) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
! violated assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HB) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HB) 1.963 0.462 0.462 ! spec=13C NOESY, no=792, id=2347
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  112 and name   HA) 2.391 0.686 0.686 ! spec=13C NOESY, no=801, id=2353
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name   HA) 2.391 0.686 0.686 ! spec=13C NOESY, no=801, id=2353
assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   80 and name  HB2) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  113 and name  HB2) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  113 and name  HB1) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid   50 and name   HB) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  136 and name  HB2) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  136 and name  HB1) 2.541 2.541 3.459 ! spec=13C NOESY, no=803, id=2355
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  121 and name  HB1) 3.272 1.284 1.284 ! spec=13C NOESY, no=804, id=2356
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HE1) 3.272 1.284 1.284 ! spec=13C NOESY, no=804, id=2356
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HG2) 2.047 0.503 0.503 ! spec=13C NOESY, no=805, id=2357
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HD2) 2.047 0.503 0.503 ! spec=13C NOESY, no=805, id=2357
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG22) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG21) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  118 and name HG23) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  133 and name HG12) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  133 and name HG11) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  133 and name HG13) 2.713 2.713 3.287 ! spec=13C NOESY, no=806, id=2358
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 2.519 0.761 0.761 ! spec=13C NOESY, no=811, id=2363
! violated assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name   HA) 2.519 0.761 0.761 ! spec=13C NOESY, no=811, id=2363
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.108 0.533 0.533 ! spec=13C NOESY, no=817, id=2369
! violated assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HD2) 2.108 0.533 0.533 ! spec=13C NOESY, no=817, id=2369
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG22) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG21) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   43 and name HG23) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   57 and name  HA2) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
! violated assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   57 and name  HA2) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   57 and name  HA2) 2.787 2.787 3.213 ! spec=13C NOESY, no=824, id=2376
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   31 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   31 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   31 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   62 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   62 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   62 and name  HA1) 2.135 2.135 3.865 ! spec=13C NOESY, no=825, id=2377
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG22) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG21) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name HG23) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG22) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG21) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name HG23) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG22) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG21) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name HG23) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   26 and name   HB) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   26 and name   HB) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
! violated assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   26 and name   HB) 1.789 1.789 4.211 ! spec=13C NOESY, no=827, id=2379
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   57 and name   HN) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
! violated assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   57 and name   HN) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   57 and name   HN) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG22) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG21) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG23) 2.429 2.429 3.571 ! spec=13C NOESY, no=829, id=2381
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG22) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG21) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG23) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  109 and name  HD1) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG12) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG11) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name HG13) 2.653 2.653 3.347 ! spec=13C NOESY, no=839, id=2391
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   39 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   39 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   39 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  113 and name   HA) 2.462 2.462 3.538 ! spec=13C NOESY, no=840, id=2392
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HA) 2.197 0.579 0.579 ! spec=13C NOESY, no=842, id=2394
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  109 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=843, id=2395
assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HB) 2.019 0.489 0.489 ! spec=13C NOESY, no=845, id=2397
! violated assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   20 and name  HG1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   20 and name  HG1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   20 and name  HG1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   37 and name HG12) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   37 and name HG12) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   37 and name HG12) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   37 and name HG11) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   37 and name HG11) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   37 and name HG11) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   93 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   93 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   93 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG12) (segid "    " and resid  128 and name   HB) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid  128 and name   HB) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid  128 and name   HB) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  124 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  124 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  124 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  108 and name  HB2) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  108 and name  HB1) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
! violated assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  108 and name  HB3) 3.209 3.209 2.791 ! spec=13C NOESY, no=846, id=2398
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG12) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG11) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG13) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG22) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG21) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HG23) 2.001 2.001 3.999 ! spec=13C NOESY, no=848, id=2400
assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   34 and name  HE1) 2.244 2.244 3.756 ! spec=13C NOESY, no=850, id=2402
! violated assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
! violated assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
! violated assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   35 and name   HA) 2.890 2.890 3.110 ! spec=13C NOESY, no=851, id=2403
assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HA) 1.927 1.927 4.073 ! spec=13C NOESY, no=852, id=2404
! violated assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   28 and name HD22) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   28 and name HD21) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
! violated assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   28 and name HD23) 2.759 0.913 0.913 ! spec=13C NOESY, no=853, id=2405
assign (segid "    " and resid   26 and name HG12) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
assign (segid "    " and resid   26 and name HG11) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
! violated assign (segid "    " and resid   26 and name HG13) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
! violated assign (segid "    " and resid   26 and name HG22) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
assign (segid "    " and resid   26 and name HG21) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
assign (segid "    " and resid   26 and name HG23) (segid "    " and resid   26 and name   HB) 1.841 0.407 0.407 ! spec=13C NOESY, no=854, id=2406
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   28 and name HD12) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   28 and name HD11) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   28 and name HD13) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD22) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD21) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD23) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG22) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG21) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG23) 2.206 2.206 3.794 ! spec=13C NOESY, no=860, id=2412
assign (segid "    " and resid   76 and name HG21) (segid "    " and resid   75 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   76 and name HG22) (segid "    " and resid   75 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   76 and name HG23) (segid "    " and resid   75 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   76 and name HG21) (segid "    " and resid   77 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   76 and name HG22) (segid "    " and resid   77 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   76 and name HG23) (segid "    " and resid   77 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  128 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  128 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  128 and name   HA) 2.218 2.218 3.782 ! spec=13C NOESY, no=869, id=2421
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   62 and name  HA1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   36 and name   HA) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   36 and name   HA) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   36 and name   HA) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   55 and name  HB1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   55 and name  HB1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   55 and name  HB1) 2.934 2.934 3.066 ! spec=13C NOESY, no=871, id=2423
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid    9 and name  HE2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid    9 and name  HE2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid    9 and name  HE2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  129 and name  HB2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  129 and name  HB2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  129 and name  HB2) 2.666 0.853 0.853 ! spec=13C NOESY, no=872, id=2424
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid    6 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid    6 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid    6 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid    6 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid    6 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid    6 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   38 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   38 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   38 and name  HB2) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   38 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   38 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   38 and name  HB1) 2.170 2.170 3.830 ! spec=13C NOESY, no=873, id=2425
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  110 and name  HA1) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  110 and name  HA1) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  110 and name  HA1) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  111 and name  HD2) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  111 and name  HD2) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  111 and name  HD2) 2.849 2.849 3.151 ! spec=13C NOESY, no=876, id=2428
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 2.276 0.622 0.622 ! spec=13C NOESY, no=878, id=2430
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name   HA) 2.276 0.622 0.622 ! spec=13C NOESY, no=878, id=2430
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name   HN) 3.083 3.083 2.917 ! spec=13C NOESY, no=879, id=2431
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   13 and name   HN) 3.083 3.083 2.917 ! spec=13C NOESY, no=879, id=2431
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   12 and name  HA1) 3.174 1.209 1.209 ! spec=13C NOESY, no=882, id=2434
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid   50 and name   HB) 3.174 1.209 1.209 ! spec=13C NOESY, no=882, id=2434
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HB1) 2.927 1.028 1.028 ! spec=13C NOESY, no=885, id=2437
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name  HB1) 2.927 1.028 1.028 ! spec=13C NOESY, no=885, id=2437
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB2) 2.387 0.683 0.683 ! spec=13C NOESY, no=886, id=2438
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB1) 2.387 0.683 0.683 ! spec=13C NOESY, no=886, id=2438
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB2) 2.418 0.701 0.701 ! spec=13C NOESY, no=887, id=2439
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB1) 2.418 0.701 0.701 ! spec=13C NOESY, no=887, id=2439
! violated assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  135 and name  HB1) 2.418 0.701 0.701 ! spec=13C NOESY, no=887, id=2439
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name HG12) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name HG11) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   10 and name HG13) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid  123 and name HG21) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid  123 and name HG22) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid  123 and name HG23) (segid "    " and resid    8 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid  134 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
! violated assign (segid "    " and resid   50 and name HG22) (segid "    " and resid  134 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
assign (segid "    " and resid   50 and name HG23) (segid "    " and resid  134 and name   HA) 3.252 3.252 2.748 ! spec=13C NOESY, no=889, id=2441
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HA) 2.987 2.987 3.013 ! spec=13C NOESY, no=891, id=2443
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid    8 and name   HA) 2.987 2.987 3.013 ! spec=13C NOESY, no=891, id=2443
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 2.132 0.545 0.545 ! spec=13C NOESY, no=892, id=2444
! violated assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   14 and name   HA) 2.132 0.545 0.545 ! spec=13C NOESY, no=892, id=2444
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   10 and name   HA) 3.116 3.116 2.884 ! spec=13C NOESY, no=895, id=2447
! violated assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   14 and name   HA) 3.116 3.116 2.884 ! spec=13C NOESY, no=895, id=2447
! violated assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name  HB2) 2.992 1.075 1.075 ! spec=13C NOESY, no=896, id=2448
! violated assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name  HB1) 2.992 1.075 1.075 ! spec=13C NOESY, no=896, id=2448
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.595 0.808 0.808 ! spec=13C NOESY, no=902, id=2454
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    5 and name   HA) 2.595 0.808 0.808 ! spec=13C NOESY, no=902, id=2454
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HA) 3.039 1.109 1.109 ! spec=13C NOESY, no=906, id=2458
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  119 and name  HA2) 3.039 1.109 1.109 ! spec=13C NOESY, no=906, id=2458
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  122 and name   HA) 3.039 1.109 1.109 ! spec=13C NOESY, no=906, id=2458
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   68 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   68 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   68 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid  127 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   56 and name HG22) (segid "    " and resid  127 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid  127 and name   HN) 2.540 2.540 3.460 ! spec=13C NOESY, no=920, id=2471
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG21) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG22) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG23) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG21) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG22) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG23) 2.355 2.355 3.645 ! spec=13C NOESY, no=921, id=2472
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   55 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   55 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   55 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG21) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG22) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG23) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HD1) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  118 and name   HN) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  118 and name   HN) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  118 and name   HN) 2.241 2.241 3.759 ! spec=13C NOESY, no=923, id=2474
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   67 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   67 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   67 and name   HA) 2.907 1.014 1.014 ! spec=13C NOESY, no=929, id=2480
! violated assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   55 and name  HB2) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
! violated assign (segid "    " and resid   56 and name HG22) (segid "    " and resid   55 and name  HB2) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
! violated assign (segid "    " and resid   56 and name HG23) (segid "    " and resid   55 and name  HB2) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HB1) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HB1) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HB1) 2.673 2.673 3.327 ! spec=13C NOESY, no=932, id=2483
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid  127 and name  HE1) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
assign (segid "    " and resid   56 and name HG22) (segid "    " and resid  127 and name  HE1) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
! violated assign (segid "    " and resid   56 and name HG23) (segid "    " and resid  127 and name  HE1) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name  HB2) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name  HB2) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name  HB2) 2.918 1.022 1.022 ! spec=13C NOESY, no=934, id=2485
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  118 and name   HN) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  118 and name   HN) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  118 and name   HN) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HD1) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HD1) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HD1) 2.928 2.928 3.072 ! spec=13C NOESY, no=936, id=2487
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG12) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG11) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG13) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG21) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG22) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG23) 2.789 2.789 3.211 ! spec=13C NOESY, no=938, id=2489
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG21) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG22) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG23) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG21) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG22) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG23) 2.450 2.450 3.550 ! spec=13C NOESY, no=939, id=2490
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  127 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  127 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  127 and name   HA) 2.791 2.791 3.209 ! spec=13C NOESY, no=940, id=2491
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   59 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   59 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   59 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   97 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   97 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   97 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  128 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  128 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  128 and name   HA) 2.193 2.193 3.807 ! spec=13C NOESY, no=941, id=2492
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   64 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   64 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   64 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   37 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   37 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   37 and name   HA) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG12) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG11) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name HG13) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name HG12) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name HG11) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   10 and name HG13) 2.971 2.971 3.029 ! spec=13C NOESY, no=942, id=2493
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   98 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   98 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   98 and name   HB) 2.083 0.521 0.521 ! spec=13C NOESY, no=943, id=2494
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HA) 2.005 0.482 0.482 ! spec=13C NOESY, no=944, id=2495
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name  HB1) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name  HB1) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name  HB1) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HB) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HB) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HB) 2.845 0.972 0.972 ! spec=13C NOESY, no=945, id=2496
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HD1) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   63 and name HG21) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   63 and name HG22) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   63 and name HG23) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  118 and name   HN) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  118 and name   HN) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  118 and name   HN) 3.065 3.065 2.935 ! spec=13C NOESY, no=946, id=2497
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid    7 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid    7 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid    7 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   13 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   13 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   13 and name  HG1) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   65 and name  HB2) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   65 and name  HB2) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   65 and name  HB2) 2.814 2.814 3.186 ! spec=13C NOESY, no=947, id=2498
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   59 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   59 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   59 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid  117 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid  117 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid  117 and name  HB2) 2.604 0.814 0.814 ! spec=13C NOESY, no=948, id=2499
! violated assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   35 and name  HG2) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   35 and name  HG2) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   35 and name  HG2) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   93 and name  HG1) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   93 and name  HG1) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   93 and name  HG1) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   43 and name HG22) (segid "    " and resid  130 and name   HG) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid  130 and name   HG) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid   43 and name HG23) (segid "    " and resid  130 and name   HG) 2.869 2.869 3.131 ! spec=13C NOESY, no=950, id=2501
! violated assign (segid "    " and resid  134 and name   HA) (segid "    " and resid   49 and name   HA) 2.846 2.846 3.154 ! spec=13C NOESY, no=959, id=2510
! violated assign (segid "    " and resid  134 and name   HA) (segid "    " and resid   50 and name   HA) 2.846 2.846 3.154 ! spec=13C NOESY, no=959, id=2510
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   59 and name   HA) 2.846 2.846 3.154 ! spec=13C NOESY, no=959, id=2510
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HB2) 2.712 0.883 0.883 ! spec=13C NOESY, no=960, id=2511
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB1) 2.712 0.883 0.883 ! spec=13C NOESY, no=960, id=2511
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   42 and name  HA1) 3.167 1.203 1.203 ! spec=13C NOESY, no=963, id=2514
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   94 and name   HA) 3.167 1.203 1.203 ! spec=13C NOESY, no=963, id=2514
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   96 and name  HA1) 3.167 1.203 1.203 ! spec=13C NOESY, no=963, id=2514
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name  HB1) 2.983 1.067 1.067 ! spec=13C NOESY, no=964, id=2515
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name   HG) 2.983 1.067 1.067 ! spec=13C NOESY, no=964, id=2515
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   58 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   58 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   58 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  100 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  100 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  100 and name   HA) 2.798 2.798 3.202 ! spec=13C NOESY, no=969, id=2520
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid    7 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid    7 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid    7 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   13 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   13 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   13 and name  HB2) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   59 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   59 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   59 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   64 and name   HB) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   64 and name   HB) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   64 and name   HB) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  100 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  100 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  100 and name  HB1) 2.461 2.461 3.539 ! spec=13C NOESY, no=971, id=2522
! violated assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   94 and name  HD1) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   94 and name  HD1) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   94 and name  HD1) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   74 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   74 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   74 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
assign (segid "    " and resid   53 and name HG12) (segid "    " and resid  130 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
assign (segid "    " and resid   53 and name HG11) (segid "    " and resid  130 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
assign (segid "    " and resid   53 and name HG13) (segid "    " and resid  130 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=973, id=2524
! violated assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   45 and name  HD2) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   45 and name  HD2) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   45 and name  HD2) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   52 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   52 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   52 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   74 and name  HD1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   74 and name  HD1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   74 and name  HD1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   76 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   76 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   76 and name   HB) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   72 and name  HA1) 2.534 2.534 3.466 ! spec=13C NOESY, no=974, id=2525
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HA) 3.027 1.099 1.099 ! spec=13C NOESY, no=989, id=2539
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid  122 and name   HA) 3.027 1.099 1.099 ! spec=13C NOESY, no=989, id=2539
! violated assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  134 and name   HA) 3.027 1.099 1.099 ! spec=13C NOESY, no=989, id=2539
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  134 and name  HB1) 2.205 0.583 0.583 ! spec=13C NOESY, no=991, id=2541
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB2) 2.205 0.583 0.583 ! spec=13C NOESY, no=991, id=2541
! violated assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid  134 and name   HA) 2.199 0.580 0.580 ! spec=13C NOESY, no=993, id=2543
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name   HA) 2.199 0.580 0.580 ! spec=13C NOESY, no=993, id=2543
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   59 and name HD22) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   59 and name HD21) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   59 and name HD23) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   60 and name HG12) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   36 and name HG22) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   36 and name HG21) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
! violated assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   36 and name HG23) 2.967 1.057 1.057 ! spec=13C NOESY, no=994, id=2544
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   37 and name HD12) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
! violated assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   37 and name HD11) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   37 and name HD13) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  133 and name HG12) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  133 and name HG11) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
assign (segid "    " and resid  134 and name   HA) (segid "    " and resid  133 and name HG13) 2.669 2.669 3.331 ! spec=13C NOESY, no=995, id=2545
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    5 and name   HA) 2.985 1.070 1.070 ! spec=13C NOESY, no=996, id=2546
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   12 and name  HA1) 2.985 1.070 1.070 ! spec=13C NOESY, no=996, id=2546
! violated assign (segid "    " and resid  134 and name   HA) (segid "    " and resid   50 and name   HB) 2.985 1.070 1.070 ! spec=13C NOESY, no=996, id=2546
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name   HN) 3.129 3.129 2.871 ! spec=13C NOESY, no=998, id=2548
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   22 and name   HA) 3.129 3.129 2.871 ! spec=13C NOESY, no=998, id=2548
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HG2) 2.562 2.562 3.438 ! spec=13C NOESY, no=1002, id=2552
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name  HG1) 2.562 2.562 3.438 ! spec=13C NOESY, no=1002, id=2552
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1) 2.383 0.681 0.681 ! spec=13C NOESY, no=1003, id=2553
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name  HB1) 2.383 0.681 0.681 ! spec=13C NOESY, no=1003, id=2553
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.193 0.577 0.577 ! spec=13C NOESY, no=1004, id=2554
! violated assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG1) 2.193 0.577 0.577 ! spec=13C NOESY, no=1004, id=2554
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HG2) 2.447 0.719 0.719 ! spec=13C NOESY, no=1005, id=2555
! violated assign (segid "    " and resid   53 and name HG22) (segid "    " and resid  130 and name   HA) 2.447 0.719 0.719 ! spec=13C NOESY, no=1005, id=2555
! violated assign (segid "    " and resid   53 and name HG21) (segid "    " and resid  130 and name   HA) 2.447 0.719 0.719 ! spec=13C NOESY, no=1005, id=2555
! violated assign (segid "    " and resid   53 and name HG23) (segid "    " and resid  130 and name   HA) 2.447 0.719 0.719 ! spec=13C NOESY, no=1005, id=2555
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   96 and name  HA2) 3.090 1.146 1.146 ! spec=13C NOESY, no=1009, id=2559
! violated assign (segid "    " and resid  132 and name   HA) (segid "    " and resid   95 and name   HA) 3.090 1.146 1.146 ! spec=13C NOESY, no=1009, id=2559
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   94 and name   HA) 3.152 1.192 1.192 ! spec=13C NOESY, no=1010, id=2560
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   96 and name  HA1) 3.152 1.192 1.192 ! spec=13C NOESY, no=1010, id=2560
! violated assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   41 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   41 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   41 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG22) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG21) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG23) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid  110 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid  110 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
assign (segid "    " and resid   83 and name HG23) (segid "    " and resid  110 and name   HN) 2.646 2.646 3.354 ! spec=13C NOESY, no=1017, id=2567
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   42 and name  HA2) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   42 and name  HA2) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   42 and name  HA2) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid   53 and name HG12) (segid "    " and resid   74 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
! violated assign (segid "    " and resid   53 and name HG11) (segid "    " and resid   74 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
! violated assign (segid "    " and resid   53 and name HG13) (segid "    " and resid   74 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   84 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   84 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   84 and name   HA) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG22) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG21) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid   83 and name HG23) 2.403 2.403 3.597 ! spec=13C NOESY, no=1020, id=2570
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   83 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   83 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   83 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
! violated assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   43 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
! violated assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   43 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   43 and name   HA) 2.039 0.499 0.499 ! spec=13C NOESY, no=1021, id=2571
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   38 and name  HB1) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   38 and name  HB1) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   38 and name  HB1) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   99 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   99 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   99 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   86 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   86 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   86 and name  HB2) 2.770 2.770 3.230 ! spec=13C NOESY, no=1023, id=2573
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD12) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD11) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD13) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD12) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD11) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD13) 2.648 0.841 0.841 ! spec=13C NOESY, no=1030, id=2580
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  128 and name HG22) 3.116 1.165 1.165 ! spec=13C NOESY, no=1031, id=2581
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  128 and name HG21) 3.116 1.165 1.165 ! spec=13C NOESY, no=1031, id=2581
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  128 and name HG23) 3.116 1.165 1.165 ! spec=13C NOESY, no=1031, id=2581
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HG12) 3.116 1.165 1.165 ! spec=13C NOESY, no=1031, id=2581
! violated assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HE2) 3.221 1.245 1.245 ! spec=13C NOESY, no=1032, id=2582
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HE1) 3.221 1.245 1.245 ! spec=13C NOESY, no=1032, id=2582
! violated assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   89 and name   HA) 3.235 1.256 1.256 ! spec=13C NOESY, no=1054, id=2588
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   93 and name   HA) 3.235 1.256 1.256 ! spec=13C NOESY, no=1054, id=2588
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   44 and name  HB2) 3.119 3.119 2.881 ! spec=13C NOESY, no=1058, id=2592
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   92 and name   HA) 3.119 3.119 2.881 ! spec=13C NOESY, no=1058, id=2592
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   93 and name  HB1) 3.119 3.119 2.881 ! spec=13C NOESY, no=1058, id=2592
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name   HA) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name   HA) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name   HA) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   92 and name HD22) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   92 and name HD21) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   92 and name   HA) (segid "    " and resid   92 and name HD23) 1.978 0.469 0.469 ! spec=13C NOESY, no=1059, id=2593
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   92 and name  HB2) 2.822 0.955 0.955 ! spec=13C NOESY, no=1064, id=2598
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   94 and name  HG2) 2.822 0.955 0.955 ! spec=13C NOESY, no=1064, id=2598
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   44 and name  HE2) 3.238 1.258 1.258 ! spec=13C NOESY, no=1067, id=2601
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   44 and name  HE1) 3.238 1.258 1.258 ! spec=13C NOESY, no=1067, id=2601
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   99 and name  HB2) 3.238 1.258 1.258 ! spec=13C NOESY, no=1067, id=2601
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  111 and name   HA) 2.817 0.952 0.952 ! spec=13C NOESY, no=1072, id=2606
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  112 and name   HA) 2.817 0.952 0.952 ! spec=13C NOESY, no=1072, id=2606
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid    9 and name  HB2) 3.121 1.169 1.169 ! spec=13C NOESY, no=1077, id=2611
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  122 and name  HB2) 3.121 1.169 1.169 ! spec=13C NOESY, no=1077, id=2611
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  122 and name  HG2) 3.121 1.169 1.169 ! spec=13C NOESY, no=1077, id=2611
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid    5 and name  HB2) 3.268 3.268 2.732 ! spec=13C NOESY, no=1078, id=2612
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid    5 and name  HB1) 3.268 3.268 2.732 ! spec=13C NOESY, no=1078, id=2612
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid    5 and name  HB3) 3.268 3.268 2.732 ! spec=13C NOESY, no=1078, id=2612
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid    9 and name  HG1) 3.268 3.268 2.732 ! spec=13C NOESY, no=1078, id=2612
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  111 and name  HB2) 3.175 1.210 1.210 ! spec=13C NOESY, no=1079, id=2613
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  120 and name  HB1) 3.175 1.210 1.210 ! spec=13C NOESY, no=1079, id=2613
! violated assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  122 and name  HG1) 3.175 1.210 1.210 ! spec=13C NOESY, no=1079, id=2613
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB2) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB1) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB3) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  123 and name   HA) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  123 and name   HA) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  123 and name   HA) 2.571 2.571 3.429 ! spec=13C NOESY, no=1084, id=2618
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   84 and name  HD2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   84 and name  HD2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   84 and name  HD2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  105 and name  HB2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  105 and name  HB2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  105 and name  HB2) 2.941 2.941 3.059 ! spec=13C NOESY, no=1087, id=2621
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HG22) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HG21) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  128 and name HG23) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HG22) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HG21) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  128 and name HG23) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HG22) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HG21) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  128 and name HG23) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HD12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HD11) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HD13) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HD12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HD11) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HD13) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HD12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HD11) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HD13) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB2) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB1) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  108 and name  HB3) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB2) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB1) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  108 and name  HB3) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB2) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB1) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  108 and name  HB3) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  118 and name HG12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  118 and name HG12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  118 and name HG12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1092, id=2626
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG12) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG11) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  103 and name HG13) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG12) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG11) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  103 and name HG13) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG12) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG11) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  103 and name HG13) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name   HG) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name   HG) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name   HG) 2.031 0.495 0.495 ! spec=13C NOESY, no=1093, id=2627
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   89 and name  HB2) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   89 and name  HB1) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   89 and name  HB3) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   85 and name   HN) 3.010 3.010 2.990 ! spec=13C NOESY, no=1094, id=2628
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   89 and name  HB2) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   89 and name  HB1) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   89 and name  HB3) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   65 and name  HE1) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   65 and name  HE1) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   65 and name  HE1) 3.145 3.145 2.855 ! spec=13C NOESY, no=1096, id=2630
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name  HB1) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name  HB1) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name  HB1) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   86 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   86 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   86 and name  HB2) 2.614 2.614 3.386 ! spec=13C NOESY, no=1101, id=2635
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   91 and name  HB1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   91 and name  HB1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   91 and name  HB1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name   HB) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   84 and name  HG1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   84 and name  HG1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   84 and name  HG1) 2.917 2.917 3.083 ! spec=13C NOESY, no=1102, id=2636
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   90 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   90 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   90 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name   HB) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name   HB) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name   HB) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD22) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD21) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name HD23) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD22) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD21) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name HD23) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD22) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD21) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name HD23) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   32 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   32 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   32 and name   HG) 2.179 2.179 3.821 ! spec=13C NOESY, no=1103, id=2637
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   89 and name  HB2) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   89 and name  HB1) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   89 and name  HB3) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  126 and name  HE1) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  126 and name  HE1) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  126 and name  HE1) 2.714 2.714 3.286 ! spec=13C NOESY, no=1107, id=2641
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   91 and name   HN) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   91 and name   HN) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   91 and name   HN) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  109 and name  HE1) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  109 and name  HE1) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  109 and name  HE1) 2.746 2.746 3.254 ! spec=13C NOESY, no=1110, id=2644
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   33 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   33 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   33 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name  HD1) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name  HD1) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name  HD1) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name   HA) 2.942 2.942 3.058 ! spec=13C NOESY, no=1111, id=2645
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   77 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   77 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   50 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   50 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   50 and name   HA) 2.524 2.524 3.476 ! spec=13C NOESY, no=1112, id=2646
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HA) 2.665 0.852 0.852 ! spec=13C NOESY, no=1114, id=2648
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name   HA) 2.665 0.852 0.852 ! spec=13C NOESY, no=1114, id=2648
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   63 and name   HB) 3.123 3.123 2.877 ! spec=13C NOESY, no=1116, id=2650
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   83 and name   HA) 3.123 3.123 2.877 ! spec=13C NOESY, no=1116, id=2650
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   85 and name  HA2) 3.123 3.123 2.877 ! spec=13C NOESY, no=1116, id=2650
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  105 and name   HA) 3.123 3.123 2.877 ! spec=13C NOESY, no=1116, id=2650
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name  HB1) 2.513 0.758 0.758 ! spec=13C NOESY, no=1122, id=2656
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name   HG) 2.513 0.758 0.758 ! spec=13C NOESY, no=1122, id=2656
! violated assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   60 and name HG12) 2.048 0.503 0.503 ! spec=13C NOESY, no=1125, id=2659
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD22) 2.048 0.503 0.503 ! spec=13C NOESY, no=1125, id=2659
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD21) 2.048 0.503 0.503 ! spec=13C NOESY, no=1125, id=2659
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name HD23) 2.048 0.503 0.503 ! spec=13C NOESY, no=1125, id=2659
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HD1) 3.058 1.122 1.122 ! spec=13C NOESY, no=1126, id=2660
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  106 and name  HA1) 3.058 1.122 1.122 ! spec=13C NOESY, no=1126, id=2660
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   45 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   45 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   45 and name   HA) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG12) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG11) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG13) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   51 and name HG12) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   51 and name HG11) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   51 and name HG13) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG12) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG11) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG13) 2.506 2.506 3.494 ! spec=13C NOESY, no=1128, id=2662
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   51 and name HG12) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   51 and name HG11) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   51 and name HG13) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   91 and name   HN) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   91 and name   HN) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   91 and name   HN) 2.179 2.179 3.821 ! spec=13C NOESY, no=1135, id=2668
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   50 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   50 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   50 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   52 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   52 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   52 and name   HB) 2.688 2.688 3.312 ! spec=13C NOESY, no=1137, id=2670
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   45 and name  HD2) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   45 and name  HD2) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   45 and name  HD2) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   52 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   52 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   52 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   76 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   76 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   76 and name   HB) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   87 and name   HA) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   87 and name   HA) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   87 and name   HA) 2.865 2.865 3.135 ! spec=13C NOESY, no=1138, id=2671
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   77 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   77 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   86 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   86 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   86 and name  HB2) 2.471 2.471 3.529 ! spec=13C NOESY, no=1141, id=2674
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   53 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   53 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   53 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   78 and name  HG2) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   78 and name  HG2) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   78 and name  HG2) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   79 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   79 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   79 and name   HB) 2.950 2.950 3.050 ! spec=13C NOESY, no=1142, id=2675
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG12) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG11) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
! violated assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   51 and name HG13) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG12) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG11) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name HG13) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid  133 and name   HA) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid  133 and name   HA) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid  133 and name   HA) 2.920 2.920 3.080 ! spec=13C NOESY, no=1151, id=2684
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG12) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG11) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG13) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG12) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG11) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG13) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG12) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG11) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG13) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD22) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD21) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name HD23) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD22) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD21) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name HD23) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD22) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD21) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name HD23) 2.225 2.225 3.775 ! spec=13C NOESY, no=1153, id=2686
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG12) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG11) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   51 and name HG13) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   51 and name HG12) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   51 and name HG11) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   51 and name HG13) 3.095 3.095 2.905 ! spec=13C NOESY, no=1155, id=2688
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   53 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   53 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   53 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   53 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   53 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   53 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   53 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   53 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   53 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG12) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG11) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name HG13) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   90 and name  HB2) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   90 and name  HB2) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   90 and name  HB2) 2.063 2.063 3.937 ! spec=13C NOESY, no=1161, id=2694
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   62 and name  HA1) 3.216 1.241 1.241 ! spec=13C NOESY, no=1163, id=2696
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HD2) 3.216 1.241 1.241 ! spec=13C NOESY, no=1163, id=2696
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HB2) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
! violated assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HB1) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HB3) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  121 and name   HN) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  121 and name   HN) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  121 and name   HN) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB2) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB1) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB3) 2.728 2.728 3.272 ! spec=13C NOESY, no=1168, id=2701
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    5 and name  HB2) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    5 and name  HB1) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    5 and name  HB3) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB2) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB1) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  108 and name  HB3) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  123 and name   HA) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  123 and name   HA) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  123 and name   HA) 2.487 2.487 3.513 ! spec=13C NOESY, no=1172, id=2705
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HD2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HD2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HD2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HD1) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HD1) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HD1) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  105 and name  HB2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  105 and name  HB2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  105 and name  HB2) 2.971 1.059 1.059 ! spec=13C NOESY, no=1176, id=2709
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    2 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  121 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  121 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  121 and name  HB2) 2.334 2.334 3.666 ! spec=13C NOESY, no=1178, id=2711
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HB2) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HB2) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HB2) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  107 and name  HB1) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  107 and name  HB1) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  107 and name  HB1) 2.578 0.797 0.797 ! spec=13C NOESY, no=1182, id=2715
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   14 and name  HB2) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   14 and name  HB1) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   14 and name  HB3) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   14 and name  HB2) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   14 and name  HB1) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   14 and name  HB3) 2.606 2.606 3.394 ! spec=13C NOESY, no=1185, id=2718
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   10 and name   HA) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   10 and name   HA) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   10 and name   HA) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
! violated assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   12 and name  HA1) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   12 and name  HA1) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   12 and name  HA1) 2.929 2.929 3.071 ! spec=13C NOESY, no=1190, id=2723
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   13 and name  HB2) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   13 and name  HB2) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   13 and name  HB1) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   13 and name  HB1) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
! violated assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   13 and name  HB1) 2.552 2.552 3.448 ! spec=13C NOESY, no=1192, id=2725
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  113 and name   HN) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  113 and name   HN) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  113 and name   HN) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG22) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG21) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG23) 3.031 3.031 2.969 ! spec=13C NOESY, no=1196, id=2729
assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  118 and name HG22) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  118 and name HG21) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
! violated assign (segid "    " and resid  109 and name   HA) (segid "    " and resid  118 and name HG23) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  119 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  119 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  119 and name  HA2) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  118 and name HG22) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  118 and name HG21) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  118 and name HG23) 2.860 2.860 3.140 ! spec=13C NOESY, no=1200, id=2732
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   42 and name  HA2) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   42 and name  HA2) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   42 and name  HA2) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   95 and name  HB2) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   95 and name  HB1) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   95 and name  HB3) 2.141 2.141 3.859 ! spec=13C NOESY, no=1218, id=2750
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name   HA) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name   HA) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name   HA) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   96 and name  HA1) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   96 and name  HA1) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   96 and name  HA1) 2.755 2.755 3.245 ! spec=13C NOESY, no=1219, id=2751
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name  HB2) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name  HB2) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
! violated assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name  HB2) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
! violated assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid  130 and name   HG) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid  130 and name   HG) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
! violated assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid  130 and name   HG) 2.557 2.557 3.443 ! spec=13C NOESY, no=1225, id=2757
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  102 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  102 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  102 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  125 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  125 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  125 and name   HA) 2.267 2.267 3.733 ! spec=13C NOESY, no=1228, id=2760
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid   35 and name   HN) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid   35 and name   HN) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid   35 and name   HN) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HD12) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HD11) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  125 and name HD13) 2.812 2.812 3.188 ! spec=13C NOESY, no=1230, id=2762
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD12) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD11) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD13) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  100 and name   HN) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  100 and name   HN) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  100 and name   HN) 2.808 2.808 3.192 ! spec=13C NOESY, no=1231, id=2763
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid   35 and name  HB1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid   35 and name  HB1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
! violated assign (segid "    " and resid  125 and name HD13) (segid "    " and resid   35 and name  HB1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  127 and name  HE2) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  127 and name  HE2) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  127 and name  HE2) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  127 and name  HE1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  127 and name  HE1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  127 and name  HE1) 2.446 2.446 3.554 ! spec=13C NOESY, no=1241, id=2773
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   60 and name HD12) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   60 and name HD11) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   60 and name HD13) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   12 and name   HN) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   12 and name   HN) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   12 and name   HN) 2.762 2.762 3.238 ! spec=13C NOESY, no=1246, id=2778
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   59 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   59 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   59 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   12 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   12 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   12 and name   HN) 3.012 3.012 2.988 ! spec=13C NOESY, no=1247, id=2779
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   13 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   13 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   13 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   63 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   63 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   63 and name   HN) 2.838 2.838 3.162 ! spec=13C NOESY, no=1248, id=2780
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   60 and name HD12) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   60 and name HD11) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   60 and name HD13) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid  122 and name   HA) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid  122 and name   HA) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid  122 and name   HA) 2.788 0.933 0.933 ! spec=13C NOESY, no=1253, id=2785
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   15 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   15 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   15 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid  105 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid  105 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid  105 and name   HA) 2.723 2.723 3.277 ! spec=13C NOESY, no=1254, id=2786
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   12 and name  HA1) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   12 and name  HA1) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   12 and name  HA1) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid  123 and name   HB) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid  123 and name   HB) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid  123 and name   HB) 2.480 2.480 3.520 ! spec=13C NOESY, no=1255, id=2787
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   59 and name   HG) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   59 and name   HG) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   59 and name   HG) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid  122 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid  122 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid  122 and name  HB1) 2.717 0.886 0.886 ! spec=13C NOESY, no=1257, id=2789
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG22) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG21) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG23) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG22) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG21) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG23) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG22) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG21) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG23) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name HG12) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name HG12) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name HG12) 1.877 0.423 0.423 ! spec=13C NOESY, no=1262, id=2794
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG22) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG21) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG23) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG22) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG21) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG23) 2.374 2.374 3.626 ! spec=13C NOESY, no=1264, id=2795
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG22) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG21) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid  101 and name HG23) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG22) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG21) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG23) 2.901 2.901 3.099 ! spec=13C NOESY, no=1268, id=2799
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD22) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD21) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD23) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG12) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG11) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  103 and name HG13) 2.686 0.866 0.866 ! spec=13C NOESY, no=1278, id=2809
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD22) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD21) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid   16 and name HD23) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD12) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD11) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
! violated assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD13) 2.760 0.914 0.914 ! spec=13C NOESY, no=1279, id=2810
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   91 and name  HG1) 3.051 1.117 1.117 ! spec=13C NOESY, no=1282, id=2813
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB1) 3.051 1.117 1.117 ! spec=13C NOESY, no=1282, id=2813
! violated assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid  101 and name HG22) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid  101 and name HG21) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid  101 and name HG23) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HD1) 2.729 2.729 3.271 ! spec=13C NOESY, no=1290, id=2815
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   99 and name   HA) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   99 and name   HA) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   99 and name   HA) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HZ3) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HZ3) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HZ3) 2.504 2.504 3.496 ! spec=13C NOESY, no=1291, id=2816
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  127 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  127 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  127 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   38 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   38 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   38 and name   HA) 2.688 2.688 3.312 ! spec=13C NOESY, no=1299, id=2824
! violated assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   97 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   97 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
! violated assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   97 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  128 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  128 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  128 and name   HA) 2.550 2.550 3.450 ! spec=13C NOESY, no=1300, id=2825
! violated assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   36 and name   HA) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG22) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG21) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   90 and name   HA) (segid "    " and resid  101 and name HG23) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid  101 and name HG22) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid  101 and name HG21) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid   93 and name   HA) (segid "    " and resid  101 and name HG23) 2.746 2.746 3.254 ! spec=13C NOESY, no=1303, id=2828
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   74 and name   HA) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
! violated assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   74 and name   HA) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   74 and name   HA) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HG22) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HG21) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HG23) 2.922 2.922 3.078 ! spec=13C NOESY, no=1307, id=2832
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  129 and name  HE2) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  129 and name  HE2) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  129 and name  HE2) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG22) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG21) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG23) 2.359 2.359 3.641 ! spec=13C NOESY, no=1309, id=2834
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   74 and name  HD1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   74 and name  HD1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   74 and name  HD1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  132 and name  HB1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  132 and name  HB1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  132 and name  HB1) 2.160 2.160 3.840 ! spec=13C NOESY, no=1313, id=2838
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB2) 2.612 0.819 0.819 ! spec=13C NOESY, no=1318, id=2843
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HG2) 2.612 0.819 0.819 ! spec=13C NOESY, no=1318, id=2843
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   90 and name  HB2) 2.584 0.801 0.801 ! spec=13C NOESY, no=1319, id=2844
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  103 and name HG12) 2.584 0.801 0.801 ! spec=13C NOESY, no=1319, id=2844
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  103 and name HG11) 2.584 0.801 0.801 ! spec=13C NOESY, no=1319, id=2844
! violated assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  103 and name HG13) 2.584 0.801 0.801 ! spec=13C NOESY, no=1319, id=2844
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid   83 and name   HB) 2.656 2.656 3.344 ! spec=13C NOESY, no=1354, id=2856
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid   84 and name  HG1) 2.656 2.656 3.344 ! spec=13C NOESY, no=1354, id=2856
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name   HA) 3.184 1.217 1.217 ! spec=13C NOESY, no=1361, id=2863
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name   HA) 3.184 1.217 1.217 ! spec=13C NOESY, no=1361, id=2863
! violated assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   44 and name  HB1) 2.571 0.793 0.793 ! spec=13C NOESY, no=1364, id=2866
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   45 and name  HG2) 2.571 0.793 0.793 ! spec=13C NOESY, no=1364, id=2866
! violated assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG12) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG11) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG13) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid   45 and name  HD1) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
! violated assign (segid "    " and resid  133 and name HG21) (segid "    " and resid   45 and name  HD1) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid   45 and name  HD1) 2.511 0.756 0.756 ! spec=13C NOESY, no=1365, id=2867
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD12) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
! violated assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD11) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  130 and name HD13) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
! violated assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG12) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG11) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid  133 and name HG13) 2.856 0.979 0.979 ! spec=13C NOESY, no=1366, id=2868
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   45 and name  HD2) 2.767 0.918 0.918 ! spec=13C NOESY, no=1367, id=2869
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid  130 and name HD12) 2.767 0.918 0.918 ! spec=13C NOESY, no=1367, id=2869
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid  130 and name HD11) 2.767 0.918 0.918 ! spec=13C NOESY, no=1367, id=2869
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid  130 and name HD13) 2.767 0.918 0.918 ! spec=13C NOESY, no=1367, id=2869
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   44 and name  HB1) 2.591 0.806 0.806 ! spec=13C NOESY, no=1370, id=2872
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HG2) 2.591 0.806 0.806 ! spec=13C NOESY, no=1370, id=2872
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   44 and name  HB2) 2.807 0.945 0.945 ! spec=13C NOESY, no=1371, id=2873
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   44 and name  HG1) 2.807 0.945 0.945 ! spec=13C NOESY, no=1371, id=2873
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   51 and name HG22) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   51 and name HG21) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   51 and name HG23) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  107 and name HD12) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
! violated assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  107 and name HD11) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
! violated assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  107 and name HD13) 2.468 0.731 0.731 ! spec=13C NOESY, no=1372, id=2874
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HG1) 2.720 0.888 0.888 ! spec=13C NOESY, no=1373, id=2875
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  107 and name  HB1) 2.720 0.888 0.888 ! spec=13C NOESY, no=1373, id=2875
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD22) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD21) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD23) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD22) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD21) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
! violated assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD23) 2.540 0.774 0.774 ! spec=13C NOESY, no=1385, id=2885
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name  HB1) 2.189 0.575 0.575 ! spec=13C NOESY, no=1391, id=2891
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HG2) 2.189 0.575 0.575 ! spec=13C NOESY, no=1391, id=2891
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HG2) 2.189 0.575 0.575 ! spec=13C NOESY, no=1391, id=2891
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name   HA) 2.770 0.921 0.921 ! spec=13C NOESY, no=1393, id=2893
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name   HA) 2.770 0.921 0.921 ! spec=13C NOESY, no=1393, id=2893
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name   HA) 2.770 0.921 0.921 ! spec=13C NOESY, no=1393, id=2893
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name  HD2) 3.152 1.192 1.192 ! spec=13C NOESY, no=1394, id=2894
! violated assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name   HN) 3.152 1.192 1.192 ! spec=13C NOESY, no=1394, id=2894
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HD1) 3.152 1.192 1.192 ! spec=13C NOESY, no=1394, id=2894
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD22) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD21) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD23) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD22) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD21) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
! violated assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name HD23) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
! violated assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HG11) 2.507 0.754 0.754 ! spec=13C NOESY, no=1395, id=2895
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HB1) 2.953 1.046 1.046 ! spec=13C NOESY, no=1397, id=2897
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   54 and name  HG1) 2.953 1.046 1.046 ! spec=13C NOESY, no=1397, id=2897
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HG1) 2.339 0.657 0.657 ! spec=13C NOESY, no=1398, id=2898
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HG2) 2.339 0.657 0.657 ! spec=13C NOESY, no=1398, id=2898
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HG1) 2.339 0.657 0.657 ! spec=13C NOESY, no=1398, id=2898
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HG2) 2.339 0.657 0.657 ! spec=13C NOESY, no=1398, id=2898
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name  HG1) 2.339 0.657 0.657 ! spec=13C NOESY, no=1398, id=2898
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   84 and name  HD1) 2.806 0.945 0.945 ! spec=13C NOESY, no=1399, id=2899
assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   84 and name  HD1) 2.806 0.945 0.945 ! spec=13C NOESY, no=1399, id=2899
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   84 and name  HD1) 2.806 0.945 0.945 ! spec=13C NOESY, no=1399, id=2899
! violated assign (segid "    " and resid   83 and name HG12) (segid "    " and resid   84 and name  HD1) 2.806 0.945 0.945 ! spec=13C NOESY, no=1399, id=2899
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HG12) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
! violated assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   83 and name HD12) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   83 and name HD11) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
! violated assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   83 and name HD13) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  111 and name  HD1) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  111 and name  HD1) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  111 and name  HD1) 2.819 2.819 3.181 ! spec=13C NOESY, no=1400, id=2900
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HG2) 2.222 0.592 0.592 ! spec=13C NOESY, no=1405, id=2905
assign (segid "    " and resid  111 and name  HD2) (segid "    " and resid  111 and name  HG1) 2.222 0.592 0.592 ! spec=13C NOESY, no=1405, id=2905
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   94 and name  HD1) 2.309 0.640 0.640 ! spec=13C NOESY, no=1413, id=2913
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HD2) 2.309 0.640 0.640 ! spec=13C NOESY, no=1413, id=2913
! violated assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   93 and name  HG1) 2.734 0.897 0.897 ! spec=13C NOESY, no=1418, id=2918
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HB2) 2.734 0.897 0.897 ! spec=13C NOESY, no=1418, id=2918
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name   HA) 2.742 0.902 0.902 ! spec=13C NOESY, no=1420, id=2920
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name   HA) 2.742 0.902 0.902 ! spec=13C NOESY, no=1420, id=2920
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HG1) 2.156 0.558 0.558 ! spec=13C NOESY, no=1423, id=2923
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name  HB1) 2.156 0.558 0.558 ! spec=13C NOESY, no=1423, id=2923
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HG2) 2.156 0.558 0.558 ! spec=13C NOESY, no=1423, id=2923
! violated assign (segid "    " and resid  117 and name  HD1) (segid "    " and resid  117 and name  HB2) 1.964 0.463 0.463 ! spec=13C NOESY, no=1425, id=2925
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HG2) 1.964 0.463 0.463 ! spec=13C NOESY, no=1425, id=2925
assign (segid "    " and resid  117 and name  HD2) (segid "    " and resid  117 and name  HG2) 2.177 0.569 0.569 ! spec=13C NOESY, no=1426, id=2926
assign (segid "    " and resid  117 and name  HD1) (segid "    " and resid  117 and name  HG2) 2.177 0.569 0.569 ! spec=13C NOESY, no=1426, id=2926
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name  HD1) 2.968 1.057 1.057 ! spec=13C NOESY, no=1429, id=2929
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   84 and name  HD1) 2.968 1.057 1.057 ! spec=13C NOESY, no=1429, id=2929
! violated assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HG11) 2.956 1.049 1.049 ! spec=13C NOESY, no=1431, id=2931
! violated assign (segid "    " and resid  117 and name  HD2) (segid "    " and resid  118 and name HG11) 2.956 1.049 1.049 ! spec=13C NOESY, no=1431, id=2931
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HE2) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HE1) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   35 and name  HE1) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
! violated assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   44 and name  HE2) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   44 and name  HE1) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
! violated assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   99 and name  HB2) 3.040 1.109 1.109 ! spec=13C NOESY, no=1434, id=2934
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HD2) 3.005 1.084 1.084 ! spec=13C NOESY, no=1436, id=2936
! violated assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HD2) 3.005 1.084 1.084 ! spec=13C NOESY, no=1436, id=2936
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HD2) 3.005 1.084 1.084 ! spec=13C NOESY, no=1436, id=2936
! violated assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HG11) 3.005 1.084 1.084 ! spec=13C NOESY, no=1436, id=2936
! violated assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   93 and name  HB2) 3.005 1.084 1.084 ! spec=13C NOESY, no=1436, id=2936
! violated assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   86 and name   HN) 3.018 1.093 1.093 ! spec=13C NOESY, no=1437, id=2937
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   84 and name  HD2) 3.018 1.093 1.093 ! spec=13C NOESY, no=1437, id=2937
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HD2) 1.831 0.402 0.402 ! spec=13C NOESY, no=1441, id=2941
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HD2) 1.831 0.402 0.402 ! spec=13C NOESY, no=1441, id=2941
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HD2) 1.831 0.402 0.402 ! spec=13C NOESY, no=1441, id=2941
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HG2) 2.155 0.557 0.557 ! spec=13C NOESY, no=1442, id=2942
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HG2) 2.155 0.557 0.557 ! spec=13C NOESY, no=1442, id=2942
assign (segid "    " and resid  111 and name  HD2) (segid "    " and resid  111 and name  HG1) 2.155 0.557 0.557 ! spec=13C NOESY, no=1442, id=2942
! violated assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HB2) 1.919 0.442 0.442 ! spec=13C NOESY, no=1443, id=2943
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   74 and name  HG2) 1.919 0.442 0.442 ! spec=13C NOESY, no=1443, id=2943
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   94 and name  HG2) 1.919 0.442 0.442 ! spec=13C NOESY, no=1443, id=2943
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   23 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   23 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   23 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD12) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD11) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
! violated assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid  131 and name HD13) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  111 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  111 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  111 and name  HD2) 2.781 2.781 3.219 ! spec=13C NOESY, no=1446, id=2946
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   60 and name HG22) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   60 and name HG21) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   60 and name HG23) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   60 and name HG22) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   60 and name HG21) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   60 and name HG23) 2.477 2.477 3.523 ! spec=13C NOESY, no=1467, id=2951
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   60 and name HG22) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   60 and name HG21) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   60 and name HG23) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG22) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG21) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG23) 2.523 2.523 3.477 ! spec=13C NOESY, no=1468, id=2952
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG22) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG21) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG23) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   60 and name HG22) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   60 and name HG21) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   60 and name HG23) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   15 and name   HA) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   15 and name   HA) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   15 and name   HA) 2.398 2.398 3.602 ! spec=13C NOESY, no=1473, id=2957
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   12 and name  HA1) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   12 and name  HA1) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   12 and name  HA1) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid  123 and name   HB) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid  123 and name   HB) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid  123 and name   HB) 2.349 0.662 0.662 ! spec=13C NOESY, no=1474, id=2958
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HB2) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HB2) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HB2) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   59 and name   HG) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   59 and name   HG) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   59 and name   HG) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid  122 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid  122 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid  122 and name  HB1) 2.315 2.315 3.685 ! spec=13C NOESY, no=1477, id=2961
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HD1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HD1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HD1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   11 and name  HG2) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   11 and name  HG2) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   11 and name  HG2) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid  124 and name  HB1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid  124 and name  HB1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid  124 and name  HB1) 2.339 2.339 3.661 ! spec=13C NOESY, no=1478, id=2962
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HD2) 3.191 1.222 1.222 ! spec=13C NOESY, no=1481, id=2965
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid    8 and name HD22) 3.191 1.222 1.222 ! spec=13C NOESY, no=1481, id=2965
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  119 and name   HN) 3.080 1.139 1.139 ! spec=13C NOESY, no=1482, id=2966
! violated assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  119 and name   HN) 3.080 1.139 1.139 ! spec=13C NOESY, no=1482, id=2966
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  120 and name  HG1) 2.635 0.833 0.833 ! spec=13C NOESY, no=1485, id=2969
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  120 and name  HG1) 2.635 0.833 0.833 ! spec=13C NOESY, no=1485, id=2969
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid  120 and name  HG2) 2.580 0.799 0.799 ! spec=13C NOESY, no=1486, id=2970
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  120 and name  HG2) 2.580 0.799 0.799 ! spec=13C NOESY, no=1486, id=2970
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   85 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
! violated assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   85 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   85 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  101 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  101 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  101 and name   HN) 2.607 2.607 3.393 ! spec=13C NOESY, no=1495, id=2979
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD12) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD11) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HD13) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD12) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD11) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HD13) 2.571 2.571 3.429 ! spec=13C NOESY, no=1496, id=2980
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name  HH2) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name  HH2) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name  HH2) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   99 and name  HE3) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   99 and name  HE3) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   99 and name  HE3) 3.099 3.099 2.901 ! spec=13C NOESY, no=1498, id=2982
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   34 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   34 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   34 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  126 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
! violated assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  126 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  126 and name   HA) 3.089 3.089 2.911 ! spec=13C NOESY, no=1500, id=2984
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   34 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   34 and name  HB1) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   34 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   34 and name  HB1) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
! violated assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   34 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   34 and name  HB1) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD12) (segid "    " and resid   86 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid   86 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid   86 and name  HB2) 2.651 2.651 3.349 ! spec=13C NOESY, no=1504, id=2988
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD12) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD11) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid  101 and name HD13) 2.038 2.038 3.962 ! spec=13C NOESY, no=1508, id=2992
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD11) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name HD13) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD11) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name HD13) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD11) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name HD13) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
! violated assign (segid "    " and resid  101 and name HD12) (segid "    " and resid  101 and name HG12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HD11) (segid "    " and resid  101 and name HG12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid  101 and name HD13) (segid "    " and resid  101 and name HG12) 1.939 0.451 0.451 ! spec=13C NOESY, no=1510, id=2994
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD12) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD11) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HD13) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HD12) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HD11) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HD13) 2.386 0.683 0.683 ! spec=13C NOESY, no=1516, id=2999
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  128 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  128 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  128 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   73 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   73 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   73 and name   HA) 2.484 2.484 3.516 ! spec=13C NOESY, no=1522, id=3005
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name   HA) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name   HA) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name   HA) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD12) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD11) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  131 and name HD13) 2.645 0.839 0.839 ! spec=13C NOESY, no=1523, id=3006
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   52 and name   HB) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   52 and name   HB) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   52 and name   HB) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD12) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD11) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid  131 and name HD13) 2.555 2.555 3.445 ! spec=13C NOESY, no=1524, id=3007
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   54 and name  HB2) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   54 and name  HB2) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   54 and name  HB2) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HB1) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HB1) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HB1) 2.258 2.258 3.742 ! spec=13C NOESY, no=1527, id=3010
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid  123 and name HG21) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid  123 and name HG22) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
assign (segid "    " and resid  123 and name HG23) (segid "    " and resid   12 and name  HA2) 2.872 2.872 3.128 ! spec=13C NOESY, no=1561, id=3021
! violated assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid    9 and name  HB2) 3.215 1.240 1.240 ! spec=13C NOESY, no=1563, id=3023
assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid   11 and name  HB2) 3.215 1.240 1.240 ! spec=13C NOESY, no=1563, id=3023
assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid   11 and name  HB1) 3.215 1.240 1.240 ! spec=13C NOESY, no=1563, id=3023
! violated assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   11 and name  HB2) 3.225 1.248 1.248 ! spec=13C NOESY, no=1578, id=3038
! violated assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   11 and name  HB1) 3.225 1.248 1.248 ! spec=13C NOESY, no=1578, id=3038
! violated assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   85 and name  HA1) 3.110 1.161 1.161 ! spec=13C NOESY, no=1583, id=3043
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   85 and name  HA1) 3.110 1.161 1.161 ! spec=13C NOESY, no=1583, id=3043
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name  HB1) 2.928 1.029 1.029 ! spec=13C NOESY, no=1585, id=3045
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   84 and name  HB2) 2.928 1.029 1.029 ! spec=13C NOESY, no=1585, id=3045
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG12) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG11) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  103 and name HG13) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD12) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD11) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD13) 2.421 0.703 0.703 ! spec=13C NOESY, no=1589, id=3049
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   83 and name HG22) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   83 and name HG21) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   83 and name HG23) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  107 and name HD12) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  107 and name HD11) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid  107 and name HD13) 2.667 0.853 0.853 ! spec=13C NOESY, no=1590, id=3050
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   24 and name  HA2) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   24 and name  HA2) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   24 and name  HA2) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   98 and name   HB) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   98 and name   HB) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   98 and name   HB) 2.782 2.782 3.218 ! spec=13C NOESY, no=1627, id=3069
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   35 and name  HB1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   35 and name  HB1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   35 and name  HB1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  100 and name  HG1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  100 and name  HG1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  100 and name  HG1) 2.379 0.679 0.679 ! spec=13C NOESY, no=1631, id=3073
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  111 and name  HG2) 2.965 2.965 3.035 ! spec=13C NOESY, no=1659, id=3085
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  112 and name  HB2) 2.965 2.965 3.035 ! spec=13C NOESY, no=1659, id=3085
! violated assign (segid "    " and resid   72 and name  HA1) (segid "    " and resid   69 and name  HB2) 2.983 1.068 1.068 ! spec=13C NOESY, no=1663, id=3089
! violated assign (segid "    " and resid  110 and name  HA1) (segid "    " and resid  111 and name  HG2) 2.983 1.068 1.068 ! spec=13C NOESY, no=1663, id=3089
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  111 and name  HB2) 2.948 2.948 3.052 ! spec=13C NOESY, no=1666, id=3092
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  111 and name  HG1) 2.948 2.948 3.052 ! spec=13C NOESY, no=1666, id=3092
assign (segid "    " and resid  110 and name  HA2) (segid "    " and resid  111 and name  HG2) 3.218 1.243 1.243 ! spec=13C NOESY, no=1668, id=3094
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   23 and name  HB2) 3.218 1.243 1.243 ! spec=13C NOESY, no=1668, id=3094
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HB1) 3.218 1.243 1.243 ! spec=13C NOESY, no=1668, id=3094
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HB2) 2.880 0.995 0.995 ! spec=13C NOESY, no=1671, id=3097
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HD2) 2.880 0.995 0.995 ! spec=13C NOESY, no=1671, id=3097
assign (segid "    " and resid  116 and name  HA1) (segid "    " and resid  117 and name  HG1) 3.174 1.209 1.209 ! spec=13C NOESY, no=1677, id=3103
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   23 and name  HB1) 3.174 1.209 1.209 ! spec=13C NOESY, no=1677, id=3103
! violated assign (segid "    " and resid  116 and name  HA1) (segid "    " and resid  117 and name  HG2) 2.841 0.969 0.969 ! spec=13C NOESY, no=1678, id=3104
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HB2) 2.841 0.969 0.969 ! spec=13C NOESY, no=1678, id=3104
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HD2) 2.841 0.969 0.969 ! spec=13C NOESY, no=1678, id=3104
assign (segid "    " and resid  110 and name  HA1) (segid "    " and resid  111 and name  HB2) 3.139 3.139 2.861 ! spec=13C NOESY, no=1681, id=3107
assign (segid "    " and resid  110 and name  HA1) (segid "    " and resid  111 and name  HB1) 3.139 3.139 2.861 ! spec=13C NOESY, no=1681, id=3107
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   23 and name  HB2) 3.111 1.161 1.161 ! spec=13C NOESY, no=1684, id=3110
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   25 and name   HB) 3.111 1.161 1.161 ! spec=13C NOESY, no=1684, id=3110
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   35 and name  HB2) 3.111 1.161 1.161 ! spec=13C NOESY, no=1684, id=3110
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   24 and name  HA1) 2.937 1.035 1.035 ! spec=13C NOESY, no=1689, id=3115
! violated assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   58 and name  HG2) 2.937 1.035 1.035 ! spec=13C NOESY, no=1689, id=3115
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   24 and name  HA1) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   24 and name  HA1) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   24 and name  HA1) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG12) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG11) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG13) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG22) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG21) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
! violated assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   26 and name HG23) 3.036 3.036 2.964 ! spec=13C NOESY, no=1690, id=3116
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   28 and name   HA) 2.809 2.809 3.191 ! spec=13C NOESY, no=1703, id=3129
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   59 and name   HA) 2.809 2.809 3.191 ! spec=13C NOESY, no=1703, id=3129
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   62 and name  HA1) 2.085 0.522 0.522 ! spec=13C NOESY, no=1704, id=3130
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   31 and name  HA1) 2.085 0.522 0.522 ! spec=13C NOESY, no=1704, id=3130
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   41 and name  HB2) 2.834 2.834 3.166 ! spec=13C NOESY, no=1705, id=3131
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   41 and name  HB1) 2.834 2.834 3.166 ! spec=13C NOESY, no=1705, id=3131
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   58 and name  HD2) 2.834 2.834 3.166 ! spec=13C NOESY, no=1705, id=3131
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HA2) 2.196 0.579 0.579 ! spec=13C NOESY, no=1707, id=3133
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HA2) 2.196 0.579 0.579 ! spec=13C NOESY, no=1707, id=3133
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   96 and name  HA1) 2.396 0.689 0.689 ! spec=13C NOESY, no=1708, id=3134
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  116 and name  HA1) 2.396 0.689 0.689 ! spec=13C NOESY, no=1708, id=3134
assign (segid "    " and resid   96 and name  HA2) (segid "    " and resid   96 and name  HA1) 2.198 0.580 0.580 ! spec=13C NOESY, no=1711, id=3137
assign (segid "    " and resid  116 and name  HA2) (segid "    " and resid  116 and name  HA1) 2.198 0.580 0.580 ! spec=13C NOESY, no=1711, id=3137
assign (segid "    " and resid   96 and name  HA1) (segid "    " and resid   94 and name  HB2) 2.931 2.931 3.069 ! spec=13C NOESY, no=1712, id=3138
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   96 and name  HA1) 2.931 2.931 3.069 ! spec=13C NOESY, no=1712, id=3138
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   96 and name  HA1) 2.931 2.931 3.069 ! spec=13C NOESY, no=1712, id=3138
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   96 and name  HA1) 2.931 2.931 3.069 ! spec=13C NOESY, no=1712, id=3138
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   96 and name  HA1) 3.197 3.197 2.803 ! spec=13C NOESY, no=1713, id=3139
assign (segid "    " and resid   96 and name  HA1) (segid "    " and resid   42 and name   HN) 3.197 3.197 2.803 ! spec=13C NOESY, no=1713, id=3139
assign (segid "    " and resid   96 and name  HA1) (segid "    " and resid   40 and name  HA2) 2.879 2.879 3.121 ! spec=13C NOESY, no=1714, id=3140
assign (segid "    " and resid  116 and name  HA1) (segid "    " and resid  117 and name   HA) 2.879 2.879 3.121 ! spec=13C NOESY, no=1714, id=3140
! violated assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   58 and name  HG2) 3.004 1.083 1.083 ! spec=13C NOESY, no=1719, id=3145
! violated assign (segid "    " and resid   62 and name  HA1) (segid "    " and resid   58 and name  HG1) 3.004 1.083 1.083 ! spec=13C NOESY, no=1719, id=3145
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   31 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name HD12) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name HD11) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name HD13) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid  130 and name  HB2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   62 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   62 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
! violated assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   62 and name  HA2) 3.262 3.262 2.738 ! spec=13C NOESY, no=1720, id=3146
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   42 and name  HA1) 2.080 0.519 0.519 ! spec=13C NOESY, no=1722, id=3148
assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  119 and name  HA1) 2.080 0.519 0.519 ! spec=13C NOESY, no=1722, id=3148
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   41 and name  HB2) 2.864 0.984 0.984 ! spec=13C NOESY, no=1723, id=3149
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   41 and name  HB1) 2.864 0.984 0.984 ! spec=13C NOESY, no=1723, id=3149
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   58 and name  HD2) 2.864 0.984 0.984 ! spec=13C NOESY, no=1723, id=3149
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid    8 and name  HB2) 2.864 0.984 0.984 ! spec=13C NOESY, no=1723, id=3149
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   94 and name  HB2) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   42 and name  HA2) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   42 and name  HA2) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   42 and name  HA2) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   58 and name  HG2) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   62 and name  HA2) (segid "    " and resid   58 and name  HG1) 2.301 2.301 3.699 ! spec=13C NOESY, no=1724, id=3150
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   42 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   42 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   42 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG22) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG21) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG23) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  119 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  119 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  119 and name  HA2) 2.497 2.497 3.503 ! spec=13C NOESY, no=1725, id=3151
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  118 and name HG22) 3.042 1.111 1.111 ! spec=13C NOESY, no=1730, id=3156
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  118 and name HG21) 3.042 1.111 1.111 ! spec=13C NOESY, no=1730, id=3156
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  118 and name HG23) 3.042 1.111 1.111 ! spec=13C NOESY, no=1730, id=3156
! violated assign (segid "    " and resid  115 and name  HA2) (segid "    " and resid  118 and name HG11) 3.042 1.111 1.111 ! spec=13C NOESY, no=1730, id=3156
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   94 and name  HB2) 2.267 2.267 3.733 ! spec=13C NOESY, no=1736, id=3162
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   42 and name  HA1) 2.267 2.267 3.733 ! spec=13C NOESY, no=1736, id=3162
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   42 and name  HA1) 2.267 2.267 3.733 ! spec=13C NOESY, no=1736, id=3162
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   42 and name  HA1) 2.267 2.267 3.733 ! spec=13C NOESY, no=1736, id=3162
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  119 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  119 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  119 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   42 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   42 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   42 and name  HA1) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   43 and name HG22) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   43 and name HG21) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   43 and name HG23) 2.594 2.594 3.406 ! spec=13C NOESY, no=1737, id=3163
assign (segid "    " and resid  115 and name  HA1) (segid "    " and resid  118 and name   HB) 3.048 1.115 1.115 ! spec=13C NOESY, no=1738, id=3164
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid    4 and name  HD2) 3.048 1.115 1.115 ! spec=13C NOESY, no=1738, id=3164
! violated assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  120 and name  HB2) 3.048 1.115 1.115 ! spec=13C NOESY, no=1738, id=3164
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   42 and name  HA1) 2.448 0.719 0.719 ! spec=13C NOESY, no=1740, id=3166
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  115 and name  HA1) 2.448 0.719 0.719 ! spec=13C NOESY, no=1740, id=3166
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  120 and name  HG2) 2.704 0.878 0.878 ! spec=13C NOESY, no=1747, id=3173
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HB2) 2.704 0.878 0.878 ! spec=13C NOESY, no=1747, id=3173
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HB1) 2.704 0.878 0.878 ! spec=13C NOESY, no=1747, id=3173
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HG2) 2.704 0.878 0.878 ! spec=13C NOESY, no=1747, id=3173
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   31 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   31 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   31 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   42 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   42 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   42 and name  HA2) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG22) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG21) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name HG23) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid   59 and name HD22) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid   59 and name HD21) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid   59 and name HD23) 2.578 0.798 0.798 ! spec=13C NOESY, no=1748, id=3174
! violated assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid  104 and name  HG2) 2.955 1.048 1.048 ! spec=13C NOESY, no=1751, id=3177
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid  104 and name  HG1) 2.955 1.048 1.048 ! spec=13C NOESY, no=1751, id=3177
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  120 and name  HG1) 2.955 1.048 1.048 ! spec=13C NOESY, no=1751, id=3177
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HB1) 2.955 1.048 1.048 ! spec=13C NOESY, no=1751, id=3177
! violated assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  120 and name  HG1) 3.048 1.115 1.115 ! spec=13C NOESY, no=1755, id=3181
! violated assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  122 and name  HB1) 3.048 1.115 1.115 ! spec=13C NOESY, no=1755, id=3181
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  122 and name  HG2) 3.048 1.115 1.115 ! spec=13C NOESY, no=1755, id=3181
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  115 and name  HA1) 2.967 1.057 1.057 ! spec=13C NOESY, no=1756, id=3182
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid    8 and name HD21) 2.967 1.057 1.057 ! spec=13C NOESY, no=1756, id=3182
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HG2) 2.346 0.660 0.660 ! spec=13C NOESY, no=1764, id=3190
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HG1) 2.346 0.660 0.660 ! spec=13C NOESY, no=1764, id=3190
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HG2) 2.329 0.651 0.651 ! spec=13C NOESY, no=1770, id=3196
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HG1) 2.329 0.651 0.651 ! spec=13C NOESY, no=1770, id=3196
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   92 and name  HB1) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   92 and name  HB1) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   92 and name  HB1) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   92 and name HD22) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
! violated assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   92 and name HD21) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
assign (segid "    " and resid   92 and name  HB1) (segid "    " and resid   92 and name HD23) 2.517 0.760 0.760 ! spec=13C NOESY, no=1775, id=3201
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  120 and name  HG2) 2.842 0.970 0.970 ! spec=13C NOESY, no=1783, id=3209
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HB2) 2.842 0.970 0.970 ! spec=13C NOESY, no=1783, id=3209
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  122 and name  HG2) 2.842 0.970 0.970 ! spec=13C NOESY, no=1783, id=3209
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  120 and name  HG2) 2.920 1.023 1.023 ! spec=13C NOESY, no=1784, id=3210
! violated assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  122 and name  HB2) 2.920 1.023 1.023 ! spec=13C NOESY, no=1784, id=3210
assign (segid "    " and resid  119 and name  HA1) (segid "    " and resid  122 and name  HG2) 2.920 1.023 1.023 ! spec=13C NOESY, no=1784, id=3210
! violated assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   46 and name  HA2) 3.146 1.187 1.187 ! spec=13C NOESY, no=1787, id=3213
! violated assign (segid "    " and resid   40 and name  HA2) (segid "    " and resid   94 and name  HB2) 3.146 1.187 1.187 ! spec=13C NOESY, no=1787, id=3213
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid    8 and name  HB2) 2.855 2.855 3.145 ! spec=13C NOESY, no=1789, id=3215
! violated assign (segid "    " and resid   40 and name  HA2) (segid "    " and resid   38 and name  HB2) 2.855 2.855 3.145 ! spec=13C NOESY, no=1789, id=3215
assign (segid "    " and resid   40 and name  HA2) (segid "    " and resid   41 and name  HB2) 2.855 2.855 3.145 ! spec=13C NOESY, no=1789, id=3215
assign (segid "    " and resid   40 and name  HA2) (segid "    " and resid   41 and name  HB1) 2.855 2.855 3.145 ! spec=13C NOESY, no=1789, id=3215
assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   38 and name  HB2) 3.106 3.106 2.894 ! spec=13C NOESY, no=1793, id=3219
assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   38 and name  HB1) 3.106 3.106 2.894 ! spec=13C NOESY, no=1793, id=3219
assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   41 and name  HB2) 3.106 3.106 2.894 ! spec=13C NOESY, no=1793, id=3219
assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   41 and name  HB1) 3.106 3.106 2.894 ! spec=13C NOESY, no=1793, id=3219
! violated assign (segid "    " and resid  112 and name  HD2) (segid "    " and resid  111 and name   HA) 2.534 0.771 0.771 ! spec=13C NOESY, no=1796, id=3222
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HD2) 2.534 0.771 0.771 ! spec=13C NOESY, no=1796, id=3222
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   66 and name  HB2) 2.650 2.650 3.350 ! spec=13C NOESY, no=1801, id=3227
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   66 and name  HB2) 2.650 2.650 3.350 ! spec=13C NOESY, no=1801, id=3227
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   66 and name  HB2) 2.650 2.650 3.350 ! spec=13C NOESY, no=1801, id=3227
! violated assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   83 and name HG12) 2.650 2.650 3.350 ! spec=13C NOESY, no=1801, id=3227
! violated assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid  118 and name HG11) 2.650 2.650 3.350 ! spec=13C NOESY, no=1801, id=3227
! violated assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid  118 and name HG12) 2.917 2.917 3.083 ! spec=13C NOESY, no=1802, id=3228
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  112 and name  HD2) 2.917 2.917 3.083 ! spec=13C NOESY, no=1802, id=3228
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  112 and name  HD2) 2.917 2.917 3.083 ! spec=13C NOESY, no=1802, id=3228
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  112 and name  HD2) 2.917 2.917 3.083 ! spec=13C NOESY, no=1802, id=3228
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   65 and name   HN) 2.997 2.997 3.003 ! spec=13C NOESY, no=1803, id=3229
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  112 and name  HD2) 2.997 2.997 3.003 ! spec=13C NOESY, no=1803, id=3229
! violated assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid  127 and name  HD2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
! violated assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   28 and name   HG) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   28 and name   HG) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   35 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   35 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
! violated assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   92 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   92 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid  100 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid  100 and name  HB2) 2.972 2.972 3.028 ! spec=13C NOESY, no=1806, id=3232
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB2) 3.034 1.105 1.105 ! spec=13C NOESY, no=1810, id=3236
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB1) 3.034 1.105 1.105 ! spec=13C NOESY, no=1810, id=3236
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HB2) 3.034 1.105 1.105 ! spec=13C NOESY, no=1810, id=3236
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HB1) 3.034 1.105 1.105 ! spec=13C NOESY, no=1810, id=3236
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HA) 2.466 0.730 0.730 ! spec=13C NOESY, no=1812, id=3238
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name   HA) 2.466 0.730 0.730 ! spec=13C NOESY, no=1812, id=3238
assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid  126 and name   HA) 2.466 0.730 0.730 ! spec=13C NOESY, no=1812, id=3238
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HA2) 2.164 0.562 0.562 ! spec=13C NOESY, no=1816, id=3242
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HA2) 2.164 0.562 0.562 ! spec=13C NOESY, no=1816, id=3242
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HA1) 2.270 0.619 0.619 ! spec=13C NOESY, no=1818, id=3244
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   46 and name  HA1) 2.270 0.619 0.619 ! spec=13C NOESY, no=1818, id=3244
! violated assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   41 and name HD21) 3.024 1.098 1.098 ! spec=13C NOESY, no=1821, id=3247
! violated assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.024 1.098 1.098 ! spec=13C NOESY, no=1821, id=3247
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.024 1.098 1.098 ! spec=13C NOESY, no=1821, id=3247
! violated assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   39 and name  HB2) 2.885 0.999 0.999 ! spec=13C NOESY, no=1822, id=3248
assign (segid "    " and resid   96 and name  HA1) (segid "    " and resid   40 and name  HA1) 2.885 0.999 0.999 ! spec=13C NOESY, no=1822, id=3248
! violated assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   69 and name   HA) 2.885 0.999 0.999 ! spec=13C NOESY, no=1822, id=3248
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HA1) 2.933 1.032 1.032 ! spec=13C NOESY, no=1828, id=3253
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB1) 2.933 1.032 1.032 ! spec=13C NOESY, no=1828, id=3253
! violated assign (segid "    " and resid   46 and name  HA1) (segid "    " and resid   91 and name HE22) 2.849 2.849 3.151 ! spec=13C NOESY, no=1829, id=3254
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   65 and name  HD1) 2.849 2.849 3.151 ! spec=13C NOESY, no=1829, id=3254
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   65 and name  HE1) 2.849 2.849 3.151 ! spec=13C NOESY, no=1829, id=3254
assign (segid "    " and resid   40 and name  HA1) (segid "    " and resid   41 and name HD21) 3.074 1.134 1.134 ! spec=13C NOESY, no=1830, id=3255
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.074 1.134 1.134 ! spec=13C NOESY, no=1830, id=3255
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  127 and name  HG2) 3.085 1.142 1.142 ! spec=13C NOESY, no=1833, id=3258
! violated assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  128 and name HG11) 3.085 1.142 1.142 ! spec=13C NOESY, no=1833, id=3258
! violated assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid  128 and name HG11) 3.085 1.142 1.142 ! spec=13C NOESY, no=1833, id=3258
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  127 and name  HG2) 3.004 1.083 1.083 ! spec=13C NOESY, no=1836, id=3261
! violated assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid  128 and name HG11) 3.004 1.083 1.083 ! spec=13C NOESY, no=1836, id=3261
! violated assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid  102 and name  HE1) 3.084 1.142 1.142 ! spec=13C NOESY, no=1840, id=3265
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid  102 and name  HE1) 3.084 1.142 1.142 ! spec=13C NOESY, no=1840, id=3265
! violated assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid   55 and name  HE1) 3.084 1.142 1.142 ! spec=13C NOESY, no=1840, id=3265
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   89 and name   HA) 2.669 2.669 3.331 ! spec=13C NOESY, no=1841, id=3266
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   89 and name   HA) 2.669 2.669 3.331 ! spec=13C NOESY, no=1841, id=3266
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HE1) 2.669 2.669 3.331 ! spec=13C NOESY, no=1841, id=3266
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   36 and name   HA) 2.669 2.669 3.331 ! spec=13C NOESY, no=1841, id=3266
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   36 and name   HA) 2.669 2.669 3.331 ! spec=13C NOESY, no=1841, id=3266
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid   31 and name   HN) 2.919 2.919 3.081 ! spec=13C NOESY, no=1850, id=3274
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid  107 and name  HB2) 2.919 2.919 3.081 ! spec=13C NOESY, no=1850, id=3274
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid   88 and name   HN) 3.165 3.165 2.835 ! spec=13C NOESY, no=1851, id=3275
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid   33 and name   HN) 3.165 3.165 2.835 ! spec=13C NOESY, no=1851, id=3275
assign (segid "    " and resid   90 and name  HB1) (segid "    " and resid   90 and name   HA) 2.852 0.976 0.976 ! spec=13C NOESY, no=1866, id=3287
assign (segid "    " and resid   95 and name   HA) (segid "    " and resid  130 and name  HB1) 2.852 0.976 0.976 ! spec=13C NOESY, no=1866, id=3287
! violated assign (segid "    " and resid   90 and name  HB1) (segid "    " and resid   90 and name HD12) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
assign (segid "    " and resid   90 and name  HB1) (segid "    " and resid   90 and name HD11) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
assign (segid "    " and resid   90 and name  HB1) (segid "    " and resid   90 and name HD13) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name  HB2) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name  HB2) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name  HB2) 2.558 0.785 0.785 ! spec=13C NOESY, no=1868, id=3289
assign (segid "    " and resid   90 and name  HB1) (segid "    " and resid   90 and name  HB2) 2.395 2.395 3.605 ! spec=13C NOESY, no=1869, id=3290
assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name  HB2) 2.395 2.395 3.605 ! spec=13C NOESY, no=1869, id=3290
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name  HB1) 2.749 0.907 0.907 ! spec=13C NOESY, no=1870, id=3291
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name  HB1) 2.749 0.907 0.907 ! spec=13C NOESY, no=1870, id=3291
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name  HB1) 2.749 0.907 0.907 ! spec=13C NOESY, no=1870, id=3291
assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name   HG) 2.749 0.907 0.907 ! spec=13C NOESY, no=1870, id=3291
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  103 and name HG12) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  103 and name HG11) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  103 and name HG13) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
! violated assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD12) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD11) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name HD13) 2.791 0.934 0.934 ! spec=13C NOESY, no=1875, id=3296
! violated assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   32 and name  HB2) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   32 and name  HB2) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   32 and name  HB2) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD12) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD11) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD13) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD22) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD21) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid  107 and name  HB2) (segid "    " and resid  107 and name HD23) 2.556 0.784 0.784 ! spec=13C NOESY, no=1876, id=3297
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  130 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  130 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  130 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   90 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   90 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   90 and name  HB2) 2.441 0.715 0.715 ! spec=13C NOESY, no=1886, id=3307
! violated assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HE2) 2.781 0.928 0.928 ! spec=13C NOESY, no=1892, id=3310
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    4 and name   HN) 2.781 0.928 0.928 ! spec=13C NOESY, no=1892, id=3310
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HB2) 2.459 0.726 0.726 ! spec=13C NOESY, no=1893, id=3311
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid    7 and name  HB2) 2.459 0.726 0.726 ! spec=13C NOESY, no=1893, id=3311
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   27 and name   HB) 2.459 0.726 0.726 ! spec=13C NOESY, no=1893, id=3311
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HE2) 3.037 1.107 1.107 ! spec=13C NOESY, no=1895, id=3313
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid   10 and name   HN) 3.037 1.107 1.107 ! spec=13C NOESY, no=1895, id=3313
! violated assign (segid "    " and resid   73 and name  HE2) (segid "    " and resid   73 and name   HN) 3.037 1.107 1.107 ! spec=13C NOESY, no=1895, id=3313
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB1) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid   70 and name  HE2) (segid "    " and resid   70 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid   73 and name  HE2) (segid "    " and resid   73 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid  135 and name  HE2) (segid "    " and resid  135 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD2) 1.457 0.255 0.255 ! spec=13C NOESY, no=1896, id=3314
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HE2) 2.613 0.820 0.820 ! spec=13C NOESY, no=1897, id=3315
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   11 and name  HE2) 2.613 0.820 0.820 ! spec=13C NOESY, no=1897, id=3315
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HE2) 2.613 0.820 0.820 ! spec=13C NOESY, no=1897, id=3315
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HE2) 1.715 0.353 0.353 ! spec=13C NOESY, no=1900, id=3318
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HE2) 2.661 0.850 0.850 ! spec=13C NOESY, no=1901, id=3319
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid   10 and name   HN) 2.661 0.850 0.850 ! spec=13C NOESY, no=1901, id=3319
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   10 and name   HN) 2.661 0.850 0.850 ! spec=13C NOESY, no=1901, id=3319
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HB1) 2.782 0.929 0.929 ! spec=13C NOESY, no=1903, id=3321
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid    7 and name  HB1) 2.782 0.929 0.929 ! spec=13C NOESY, no=1903, id=3321
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   33 and name  HG2) 2.782 0.929 0.929 ! spec=13C NOESY, no=1903, id=3321
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HE1) 3.232 1.253 1.253 ! spec=13C NOESY, no=1905, id=3323
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HB1) 3.232 1.253 1.253 ! spec=13C NOESY, no=1905, id=3323
! violated assign (segid "    " and resid  134 and name  HE2) (segid "    " and resid  134 and name   HN) 3.232 1.253 1.253 ! spec=13C NOESY, no=1905, id=3323
! violated assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   98 and name   HB) 2.535 0.771 0.771 ! spec=13C NOESY, no=1908, id=3326
! violated assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   48 and name  HB1) 2.535 0.771 0.771 ! spec=13C NOESY, no=1908, id=3326
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HE1) 2.251 0.608 0.608 ! spec=13C NOESY, no=1909, id=3327
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid   94 and name   HA) 2.251 0.608 0.608 ! spec=13C NOESY, no=1909, id=3327
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   94 and name   HA) 2.251 0.608 0.608 ! spec=13C NOESY, no=1909, id=3327
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid  130 and name HD12) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid  130 and name HD11) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid  130 and name HD13) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid  130 and name HD12) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid  130 and name HD11) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid  130 and name HD13) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   22 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   22 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   22 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name  HE2) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
! violated assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name  HE2) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name  HE2) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   35 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   35 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   35 and name  HE1) 2.844 2.844 3.156 ! spec=13C NOESY, no=1910, id=3328
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HE2) 3.086 1.143 1.143 ! spec=13C NOESY, no=1914, id=3332
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HE2) 3.086 1.143 1.143 ! spec=13C NOESY, no=1914, id=3332
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HE2) 3.086 1.143 1.143 ! spec=13C NOESY, no=1914, id=3332
! violated assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   99 and name  HD1) 2.983 1.068 1.068 ! spec=13C NOESY, no=1916, id=3334
! violated assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   49 and name   HN) 2.983 1.068 1.068 ! spec=13C NOESY, no=1916, id=3334
! violated assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   18 and name  HG2) 2.510 0.756 0.756 ! spec=13C NOESY, no=1917, id=3335
assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid   94 and name  HG1) 2.510 0.756 0.756 ! spec=13C NOESY, no=1917, id=3335
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   94 and name  HG1) 2.510 0.756 0.756 ! spec=13C NOESY, no=1917, id=3335
! violated assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   35 and name  HE2) 2.100 0.529 0.529 ! spec=13C NOESY, no=1918, id=3336
! violated assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   35 and name  HE2) 2.100 0.529 0.529 ! spec=13C NOESY, no=1918, id=3336
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   35 and name  HE2) 2.100 0.529 0.529 ! spec=13C NOESY, no=1918, id=3336
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HE2) 2.100 0.529 0.529 ! spec=13C NOESY, no=1918, id=3336
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HE1) 2.100 0.529 0.529 ! spec=13C NOESY, no=1918, id=3336
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HE2) 2.985 1.069 1.069 ! spec=13C NOESY, no=1922, id=3340
! violated assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   35 and name  HE2) 2.985 1.069 1.069 ! spec=13C NOESY, no=1922, id=3340
! violated assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name  HB1) 2.985 1.069 1.069 ! spec=13C NOESY, no=1922, id=3340
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HE2) 2.985 1.069 1.069 ! spec=13C NOESY, no=1922, id=3340
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HE1) 2.985 1.069 1.069 ! spec=13C NOESY, no=1922, id=3340
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   33 and name HE21) 2.728 0.893 0.893 ! spec=13C NOESY, no=1923, id=3341
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB1) 2.728 0.893 0.893 ! spec=13C NOESY, no=1923, id=3341
! violated assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HB1) 2.469 0.732 0.732 ! spec=13C NOESY, no=1924, id=3342
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   27 and name   HB) 2.469 0.732 0.732 ! spec=13C NOESY, no=1924, id=3342
! violated assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   18 and name  HB2) 2.469 0.732 0.732 ! spec=13C NOESY, no=1924, id=3342
! violated assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HB1) 2.469 0.732 0.732 ! spec=13C NOESY, no=1924, id=3342
! violated assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   35 and name  HB1) 2.469 0.732 0.732 ! spec=13C NOESY, no=1924, id=3342
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   38 and name  HB1) 2.504 0.752 0.752 ! spec=13C NOESY, no=1927, id=3345
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   49 and name  HB2) 2.504 0.752 0.752 ! spec=13C NOESY, no=1927, id=3345
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB2) 2.838 0.966 0.966 ! spec=13C NOESY, no=1931, id=3349
assign (segid "    " and resid   38 and name HD21) (segid "    " and resid   38 and name  HB1) 2.838 0.966 0.966 ! spec=13C NOESY, no=1931, id=3349
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name HD22) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name HD21) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
! violated assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name HD23) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name HD22) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name HD21) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name HD23) 2.591 0.806 0.806 ! spec=13C NOESY, no=1932, id=3350
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name  HB1) 2.890 1.002 1.002 ! spec=13C NOESY, no=1934, id=3352
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB1) 2.890 1.002 1.002 ! spec=13C NOESY, no=1934, id=3352
assign (segid "    " and resid  127 and name  HE2) (segid "    " and resid   58 and name  HD1) 2.436 2.436 3.564 ! spec=13C NOESY, no=1936, id=3354
! violated assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid   99 and name  HB2) 2.436 2.436 3.564 ! spec=13C NOESY, no=1936, id=3354
! violated assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  129 and name  HB2) 2.436 2.436 3.564 ! spec=13C NOESY, no=1936, id=3354
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB2) 2.957 1.049 1.049 ! spec=13C NOESY, no=1938, id=3356
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name  HB2) 2.957 1.049 1.049 ! spec=13C NOESY, no=1938, id=3356
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   59 and name HD12) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   59 and name HD11) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid   59 and name HD13) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   60 and name HG12) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   35 and name  HE1) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   70 and name  HE2) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   70 and name  HE2) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   70 and name  HE2) 2.386 2.386 3.614 ! spec=13C NOESY, no=1941, id=3358
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   20 and name  HE2) 3.084 1.142 1.142 ! spec=13C NOESY, no=1942, id=3359
! violated assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HE2) 3.084 1.142 1.142 ! spec=13C NOESY, no=1942, id=3359
! violated assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid   73 and name  HE2) (segid "    " and resid   73 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid  135 and name  HE2) (segid "    " and resid  135 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid    4 and name  HE2) (segid "    " and resid    4 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid   11 and name  HD1) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HD2) 1.478 0.262 0.262 ! spec=13C NOESY, no=1944, id=3361
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HE2) 1.666 0.333 0.333 ! spec=13C NOESY, no=1947, id=3364
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HE2) 1.666 0.333 0.333 ! spec=13C NOESY, no=1947, id=3364
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HE1) 1.666 0.333 0.333 ! spec=13C NOESY, no=1947, id=3364
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HE2) 1.666 0.333 0.333 ! spec=13C NOESY, no=1947, id=3364
! violated assign (segid "    " and resid  134 and name  HE2) (segid "    " and resid  134 and name  HG2) 1.666 0.333 0.333 ! spec=13C NOESY, no=1947, id=3364
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   77 and name  HB1) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   77 and name  HB1) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   77 and name  HB1) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   90 and name HD12) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
! violated assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   90 and name HD11) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
! violated assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   90 and name HD13) 2.604 2.604 3.396 ! spec=13C NOESY, no=1960, id=3375
! violated assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   50 and name HG21) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   50 and name HG22) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   50 and name HG23) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
! violated assign (segid "    " and resid   76 and name HG21) (segid "    " and resid   77 and name  HB2) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
! violated assign (segid "    " and resid   76 and name HG22) (segid "    " and resid   77 and name  HB2) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
! violated assign (segid "    " and resid   76 and name HG23) (segid "    " and resid   77 and name  HB2) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   90 and name HD12) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   90 and name HD11) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   90 and name HD13) 2.711 2.711 3.289 ! spec=13C NOESY, no=1969, id=3384
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name HD12) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name HD11) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
! violated assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name HD13) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name   HB) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name   HB) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name   HB) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid  101 and name HG12) 2.317 0.644 0.644 ! spec=13C NOESY, no=1976, id=3391
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name  HB1) 3.108 1.159 1.159 ! spec=13C NOESY, no=1980, id=3395
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid  102 and name  HD1) 3.108 1.159 1.159 ! spec=13C NOESY, no=1980, id=3395
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  101 and name   HB) 2.302 0.636 0.636 ! spec=13C NOESY, no=1984, id=3399
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  101 and name   HB) 2.302 0.636 0.636 ! spec=13C NOESY, no=1984, id=3399
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  101 and name   HB) 2.302 0.636 0.636 ! spec=13C NOESY, no=1984, id=3399
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid  101 and name HG12) 2.302 0.636 0.636 ! spec=13C NOESY, no=1984, id=3399
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name   HB) 2.535 0.771 0.771 ! spec=13C NOESY, no=1985, id=3400
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.535 0.771 0.771 ! spec=13C NOESY, no=1985, id=3400
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name  HB2) 2.930 1.030 1.030 ! spec=13C NOESY, no=1987, id=3402
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   28 and name  HB2) 2.930 1.030 1.030 ! spec=13C NOESY, no=1987, id=3402
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   28 and name  HB2) 2.330 0.652 0.652 ! spec=13C NOESY, no=1989, id=3404
assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name  HB2) 2.330 0.652 0.652 ! spec=13C NOESY, no=1989, id=3404
! violated assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   28 and name  HB2) 2.330 0.652 0.652 ! spec=13C NOESY, no=1989, id=3404
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid  101 and name HG12) 2.330 0.652 0.652 ! spec=13C NOESY, no=1989, id=3404
assign (segid "    " and resid  125 and name   HB) (segid "    " and resid  125 and name HG12) 2.566 0.790 0.790 ! spec=13C NOESY, no=1996, id=3411
! violated assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD22) 2.566 0.790 0.790 ! spec=13C NOESY, no=1996, id=3411
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD21) 2.566 0.790 0.790 ! spec=13C NOESY, no=1996, id=3411
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name HD23) 2.566 0.790 0.790 ! spec=13C NOESY, no=1996, id=3411
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HD1) 2.750 0.907 0.907 ! spec=13C NOESY, no=1999, id=3413
! violated assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid  118 and name   HN) 2.750 0.907 0.907 ! spec=13C NOESY, no=1999, id=3413
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 3.123 1.171 1.171 ! spec=13C NOESY, no=2003, id=3417
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid  118 and name   HN) 3.123 1.171 1.171 ! spec=13C NOESY, no=2003, id=3417
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    6 and name  HB2) 3.015 3.015 2.985 ! spec=13C NOESY, no=2008, id=3422
! violated assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    6 and name  HB1) 3.015 3.015 2.985 ! spec=13C NOESY, no=2008, id=3422
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    6 and name  HB2) 3.015 3.015 2.985 ! spec=13C NOESY, no=2008, id=3422
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    6 and name  HB1) 3.015 3.015 2.985 ! spec=13C NOESY, no=2008, id=3422
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name  HB2) 2.907 2.907 3.093 ! spec=13C NOESY, no=2011, id=3425
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name  HB1) 2.907 2.907 3.093 ! spec=13C NOESY, no=2011, id=3425
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid   10 and name   HN) 2.907 2.907 3.093 ! spec=13C NOESY, no=2011, id=3425
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid   10 and name   HN) 2.907 2.907 3.093 ! spec=13C NOESY, no=2011, id=3425
! violated assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name  HG2) 2.725 0.891 0.891 ! spec=13C NOESY, no=2014, id=3428
! violated assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name  HG2) 2.725 0.891 0.891 ! spec=13C NOESY, no=2014, id=3428
! violated assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    9 and name  HB1) 2.725 0.891 0.891 ! spec=13C NOESY, no=2014, id=3428
! violated assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    9 and name  HB1) 2.725 0.891 0.891 ! spec=13C NOESY, no=2014, id=3428
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    3 and name  HB1) 2.738 2.738 3.262 ! spec=13C NOESY, no=2015, id=3429
! violated assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    3 and name  HB1) 2.738 2.738 3.262 ! spec=13C NOESY, no=2015, id=3429
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    9 and name  HB2) 2.738 2.738 3.262 ! spec=13C NOESY, no=2015, id=3429
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    9 and name  HB2) 2.738 2.738 3.262 ! spec=13C NOESY, no=2015, id=3429
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name  HB2) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name  HB1) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name  HB2) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    6 and name  HB1) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    6 and name  HB2) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
! violated assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    6 and name  HB1) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    9 and name  HG2) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    9 and name  HG2) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
! violated assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    9 and name  HG1) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    9 and name  HG1) 2.591 2.591 3.409 ! spec=13C NOESY, no=2016, id=3430
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name HD22) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name HD21) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name HD23) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid  123 and name HG21) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid  123 and name HG22) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid  123 and name HG23) 3.121 3.121 2.879 ! spec=13C NOESY, no=2052, id=3466
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    2 and name  HB2) 2.684 0.864 0.864 ! spec=13C NOESY, no=2062, id=3474
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    2 and name  HB2) 2.684 0.864 0.864 ! spec=13C NOESY, no=2062, id=3474
! violated assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid    2 and name  HB2) 2.684 0.864 0.864 ! spec=13C NOESY, no=2062, id=3474
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  125 and name HG11) 2.684 0.864 0.864 ! spec=13C NOESY, no=2062, id=3474
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB1) 2.618 0.823 0.823 ! spec=13C NOESY, no=2063, id=3475
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name  HB1) 2.618 0.823 0.823 ! spec=13C NOESY, no=2063, id=3475
! violated assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid  100 and name  HB1) 2.459 0.726 0.726 ! spec=13C NOESY, no=2067, id=3479
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  100 and name  HB1) 2.459 0.726 0.726 ! spec=13C NOESY, no=2067, id=3479
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  100 and name  HG2) 2.719 0.887 0.887 ! spec=13C NOESY, no=2070, id=3482
assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  128 and name   HN) 2.719 0.887 0.887 ! spec=13C NOESY, no=2070, id=3482
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  100 and name  HG2) 2.172 0.566 0.566 ! spec=13C NOESY, no=2077, id=3489
assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  127 and name  HB1) 2.172 0.566 0.566 ! spec=13C NOESY, no=2077, id=3489
! violated assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid   37 and name HG12) 2.920 1.023 1.023 ! spec=13C NOESY, no=2078, id=3490
! violated assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  127 and name  HG2) 2.920 1.023 1.023 ! spec=13C NOESY, no=2078, id=3490
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
! violated assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  100 and name  HG2) 2.560 2.560 3.440 ! spec=13C NOESY, no=2079, id=3491
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid   52 and name   HB) 2.939 1.036 1.036 ! spec=13C NOESY, no=2082, id=3494
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  132 and name  HB1) 2.939 1.036 1.036 ! spec=13C NOESY, no=2082, id=3494
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  131 and name   HB) 2.434 0.711 0.711 ! spec=13C NOESY, no=2084, id=3496
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  131 and name   HB) 2.434 0.711 0.711 ! spec=13C NOESY, no=2084, id=3496
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  131 and name   HB) 2.434 0.711 0.711 ! spec=13C NOESY, no=2084, id=3496
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  131 and name HG11) 2.434 0.711 0.711 ! spec=13C NOESY, no=2084, id=3496
assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  102 and name  HB2) 2.664 2.664 3.336 ! spec=13C NOESY, no=2088, id=3500
assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  109 and name  HB2) 2.664 2.664 3.336 ! spec=13C NOESY, no=2088, id=3500
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid   59 and name   HA) 2.842 2.842 3.158 ! spec=13C NOESY, no=2090, id=3502
assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  113 and name   HA) 2.842 2.842 3.158 ! spec=13C NOESY, no=2090, id=3502
assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  109 and name  HB1) 3.074 1.134 1.134 ! spec=13C NOESY, no=2093, id=3505
assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  109 and name  HB1) 3.074 1.134 1.134 ! spec=13C NOESY, no=2093, id=3505
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  109 and name  HB1) 3.074 1.134 1.134 ! spec=13C NOESY, no=2093, id=3505
! violated assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  118 and name HG12) 3.074 1.134 1.134 ! spec=13C NOESY, no=2093, id=3505
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  123 and name HG21) 3.012 1.089 1.089 ! spec=13C NOESY, no=2100, id=3512
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  123 and name HG22) 3.012 1.089 1.089 ! spec=13C NOESY, no=2100, id=3512
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  123 and name HG23) 3.012 1.089 1.089 ! spec=13C NOESY, no=2100, id=3512
! violated assign (segid "    " and resid  102 and name  HB1) (segid "    " and resid  125 and name HG12) 3.012 1.089 1.089 ! spec=13C NOESY, no=2100, id=3512
! violated assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  124 and name   HG) 3.012 1.089 1.089 ! spec=13C NOESY, no=2100, id=3512
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   15 and name  HE1) 2.721 0.888 0.888 ! spec=13C NOESY, no=2102, id=3514
assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  102 and name  HD1) 2.721 0.888 0.888 ! spec=13C NOESY, no=2102, id=3514
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid  102 and name  HB2) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid  102 and name  HB2) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid  102 and name  HB2) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  101 and name HG12) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  123 and name HG21) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  123 and name HG22) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid  123 and name HG23) 2.967 1.056 1.056 ! spec=13C NOESY, no=2109, id=3521
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   15 and name  HD1) 3.062 1.125 1.125 ! spec=13C NOESY, no=2112, id=3524
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   15 and name  HE1) 3.062 1.125 1.125 ! spec=13C NOESY, no=2112, id=3524
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  100 and name  HG1) 2.978 1.064 1.064 ! spec=13C NOESY, no=2120, id=3532
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HB1) 2.978 1.064 1.064 ! spec=13C NOESY, no=2120, id=3532
! violated assign (segid "    " and resid   24 and name  HA2) (segid "    " and resid   35 and name  HB1) 3.031 1.103 1.103 ! spec=13C NOESY, no=2123, id=3535
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   25 and name   HA) 3.031 1.103 1.103 ! spec=13C NOESY, no=2123, id=3535
! violated assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HB1) 3.023 1.097 1.097 ! spec=13C NOESY, no=2124, id=3536
! violated assign (segid "    " and resid   35 and name  HE1) (segid "    " and resid   35 and name  HB1) 3.023 1.097 1.097 ! spec=13C NOESY, no=2124, id=3536
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name  HB2) 2.234 0.599 0.599 ! spec=13C NOESY, no=2125, id=3537
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  100 and name  HG2) 2.234 0.599 0.599 ! spec=13C NOESY, no=2125, id=3537
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB1) 2.665 0.852 0.852 ! spec=13C NOESY, no=2126, id=3538
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB1) 2.665 0.852 0.852 ! spec=13C NOESY, no=2126, id=3538
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.713 0.883 0.883 ! spec=13C NOESY, no=2133, id=3545
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 2.713 0.883 0.883 ! spec=13C NOESY, no=2133, id=3545
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   60 and name   HB) 2.531 0.769 0.769 ! spec=13C NOESY, no=2139, id=3551
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name   HA) 2.531 0.769 0.769 ! spec=13C NOESY, no=2139, id=3551
! violated assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid  125 and name HG12) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   59 and name HD22) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   59 and name HD21) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   59 and name HD23) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid  123 and name HG21) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid  123 and name HG22) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid  123 and name HG23) 3.242 3.242 2.758 ! spec=13C NOESY, no=2141, id=3553
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   60 and name   HB) 2.324 0.648 0.648 ! spec=13C NOESY, no=2142, id=3554
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   60 and name   HB) 2.324 0.648 0.648 ! spec=13C NOESY, no=2142, id=3554
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   60 and name   HB) 2.324 0.648 0.648 ! spec=13C NOESY, no=2142, id=3554
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG12) 2.324 0.648 0.648 ! spec=13C NOESY, no=2142, id=3554
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB2) 2.829 0.960 0.960 ! spec=13C NOESY, no=2144, id=3556
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HB) 2.829 0.960 0.960 ! spec=13C NOESY, no=2144, id=3556
! violated assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   15 and name  HD1) 2.796 0.938 0.938 ! spec=13C NOESY, no=2145, id=3557
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   15 and name  HD1) 2.796 0.938 0.938 ! spec=13C NOESY, no=2145, id=3557
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HB2) 2.752 0.909 0.909 ! spec=13C NOESY, no=2157, id=3569
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HE2) 2.752 0.909 0.909 ! spec=13C NOESY, no=2157, id=3569
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid  127 and name  HE1) 2.752 0.909 0.909 ! spec=13C NOESY, no=2157, id=3569
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  121 and name  HB2) 2.254 0.610 0.610 ! spec=13C NOESY, no=2168, id=3580
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2) 2.254 0.610 0.610 ! spec=13C NOESY, no=2168, id=3580
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   37 and name   HB) 2.280 0.624 0.624 ! spec=13C NOESY, no=2175, id=3587
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HB) 2.280 0.624 0.624 ! spec=13C NOESY, no=2175, id=3587
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   37 and name   HB) 2.280 0.624 0.624 ! spec=13C NOESY, no=2175, id=3587
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name HG11) 2.280 0.624 0.624 ! spec=13C NOESY, no=2175, id=3587
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  121 and name HD22) 2.833 0.963 0.963 ! spec=13C NOESY, no=2182, id=3594
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB1) 2.833 0.963 0.963 ! spec=13C NOESY, no=2182, id=3594
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid  122 and name  HB1) 3.107 1.159 1.159 ! spec=13C NOESY, no=2183, id=3595
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB1) 3.107 1.159 1.159 ! spec=13C NOESY, no=2183, id=3595
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.516 0.760 0.760 ! spec=13C NOESY, no=2186, id=3598
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  121 and name  HB2) 2.516 0.760 0.760 ! spec=13C NOESY, no=2186, id=3598
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid  121 and name  HB2) 2.695 0.872 0.872 ! spec=13C NOESY, no=2187, id=3599
! violated assign (segid "    " and resid  121 and name  HB2) (segid "    " and resid  121 and name HD22) 2.695 0.872 0.872 ! spec=13C NOESY, no=2187, id=3599
! violated assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid  122 and name  HB2) 2.750 0.907 0.907 ! spec=13C NOESY, no=2193, id=3605
! violated assign (segid "    " and resid  121 and name  HB2) (segid "    " and resid    9 and name  HB2) 2.750 0.907 0.907 ! spec=13C NOESY, no=2193, id=3605
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   12 and name   HN) 2.807 0.946 0.946 ! spec=13C NOESY, no=2195, id=3607
! violated assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HG1) 2.807 0.946 0.946 ! spec=13C NOESY, no=2195, id=3607
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid    9 and name   HA) 3.021 1.095 1.095 ! spec=13C NOESY, no=2197, id=3609
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   12 and name  HA2) 3.021 1.095 1.095 ! spec=13C NOESY, no=2197, id=3609
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   13 and name  HG1) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   13 and name  HG1) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   13 and name  HG1) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   16 and name HD22) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   16 and name HD21) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid   16 and name HD23) 2.763 2.763 3.237 ! spec=13C NOESY, no=2201, id=3613
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HG1) 2.168 0.564 0.564 ! spec=13C NOESY, no=2203, id=3615
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name  HG2) 2.168 0.564 0.564 ! spec=13C NOESY, no=2203, id=3615
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   98 and name   HN) 3.045 1.113 1.113 ! spec=13C NOESY, no=2205, id=3617
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   37 and name   HB) 3.045 1.113 1.113 ! spec=13C NOESY, no=2205, id=3617
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name   HB) 3.045 1.113 1.113 ! spec=13C NOESY, no=2205, id=3617
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid  121 and name  HB1) 2.954 1.047 1.047 ! spec=13C NOESY, no=2206, id=3618
! violated assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  121 and name  HB1) 2.954 1.047 1.047 ! spec=13C NOESY, no=2206, id=3618
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  122 and name   HA) 2.954 1.047 1.047 ! spec=13C NOESY, no=2206, id=3618
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    4 and name  HD2) 3.134 1.179 1.179 ! spec=13C NOESY, no=2209, id=3621
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HD1) 3.134 1.179 1.179 ! spec=13C NOESY, no=2209, id=3621
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    9 and name  HD2) 3.134 1.179 1.179 ! spec=13C NOESY, no=2209, id=3621
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB2) 3.134 1.179 1.179 ! spec=13C NOESY, no=2209, id=3621
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name  HB1) 2.848 0.973 0.973 ! spec=13C NOESY, no=2211, id=3623
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    9 and name  HB1) 2.848 0.973 0.973 ! spec=13C NOESY, no=2211, id=3623
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB1) 2.848 0.973 0.973 ! spec=13C NOESY, no=2211, id=3623
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid  122 and name  HB2) 2.933 1.032 1.032 ! spec=13C NOESY, no=2212, id=3624
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    9 and name  HB2) 2.933 1.032 1.032 ! spec=13C NOESY, no=2212, id=3624
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    7 and name  HB1) 3.007 1.085 1.085 ! spec=13C NOESY, no=2214, id=3626
! violated assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name  HB1) 3.007 1.085 1.085 ! spec=13C NOESY, no=2214, id=3626
! violated assign (segid "    " and resid  121 and name  HB2) (segid "    " and resid    9 and name  HB1) 2.773 0.923 0.923 ! spec=13C NOESY, no=2215, id=3627
! violated assign (segid "    " and resid  121 and name  HB2) (segid "    " and resid  120 and name  HB1) 2.773 0.923 0.923 ! spec=13C NOESY, no=2215, id=3627
! violated assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid    9 and name  HG2) 2.741 0.902 0.902 ! spec=13C NOESY, no=2219, id=3631
assign (segid "    " and resid   13 and name  HG1) (segid "    " and resid    9 and name  HG1) 2.741 0.902 0.902 ! spec=13C NOESY, no=2219, id=3631
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   72 and name  HA1) 2.664 0.852 0.852 ! spec=13C NOESY, no=2220, id=3632
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   54 and name  HG1) 2.664 0.852 0.852 ! spec=13C NOESY, no=2220, id=3632
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    7 and name  HG2) 2.903 1.011 1.011 ! spec=13C NOESY, no=2221, id=3633
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    7 and name  HG2) 2.903 1.011 1.011 ! spec=13C NOESY, no=2221, id=3633
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    4 and name  HG2) 2.903 1.011 1.011 ! spec=13C NOESY, no=2221, id=3633
! violated assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid   11 and name  HD2) 2.903 1.011 1.011 ! spec=13C NOESY, no=2221, id=3633
! violated assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid    9 and name  HG1) 2.903 1.011 1.011 ! spec=13C NOESY, no=2221, id=3633
! violated assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    7 and name  HG2) 2.875 0.992 0.992 ! spec=13C NOESY, no=2222, id=3634
! violated assign (segid "    " and resid    4 and name  HG1) (segid "    " and resid    7 and name  HG2) 2.875 0.992 0.992 ! spec=13C NOESY, no=2222, id=3634
! violated assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid   11 and name  HD2) 2.875 0.992 0.992 ! spec=13C NOESY, no=2222, id=3634
! violated assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid    9 and name  HG1) 2.875 0.992 0.992 ! spec=13C NOESY, no=2222, id=3634
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  131 and name   HB) 2.875 0.992 0.992 ! spec=13C NOESY, no=2222, id=3634
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  129 and name  HE1) 2.705 0.878 0.878 ! spec=13C NOESY, no=2223, id=3635
! violated assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    4 and name   HN) 2.705 0.878 0.878 ! spec=13C NOESY, no=2223, id=3635
! violated assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HG2) 2.705 0.878 0.878 ! spec=13C NOESY, no=2223, id=3635
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    7 and name  HB2) 1.886 0.427 0.427 ! spec=13C NOESY, no=2225, id=3637
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HB1) 1.886 0.427 0.427 ! spec=13C NOESY, no=2225, id=3637
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB2) 1.886 0.427 0.427 ! spec=13C NOESY, no=2225, id=3637
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    7 and name  HB1) 1.886 0.427 0.427 ! spec=13C NOESY, no=2225, id=3637
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   54 and name  HG2) 3.249 1.267 1.267 ! spec=13C NOESY, no=2227, id=3639
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   54 and name  HG1) 3.249 1.267 1.267 ! spec=13C NOESY, no=2227, id=3639
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name   HA) 2.635 0.833 0.833 ! spec=13C NOESY, no=2228, id=3640
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name   HA) 2.635 0.833 0.833 ! spec=13C NOESY, no=2228, id=3640
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name   HA) 2.762 0.915 0.915 ! spec=13C NOESY, no=2230, id=3642
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   74 and name   HA) 2.762 0.915 0.915 ! spec=13C NOESY, no=2230, id=3642
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   83 and name   HB) 3.240 1.260 1.260 ! spec=13C NOESY, no=2232, id=3644
! violated assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   57 and name   HN) 3.240 1.260 1.260 ! spec=13C NOESY, no=2232, id=3644
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   56 and name   HN) 2.570 0.793 0.793 ! spec=13C NOESY, no=2233, id=3645
assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   56 and name   HN) 2.570 0.793 0.793 ! spec=13C NOESY, no=2233, id=3645
! violated assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name  HG2) 3.027 1.099 1.099 ! spec=13C NOESY, no=2237, id=3649
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name  HG1) 3.027 1.099 1.099 ! spec=13C NOESY, no=2237, id=3649
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   73 and name   HA) 2.462 0.727 0.727 ! spec=13C NOESY, no=2239, id=3651
! violated assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   56 and name   HA) 2.462 0.727 0.727 ! spec=13C NOESY, no=2239, id=3651
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   56 and name   HN) 3.188 1.220 1.220 ! spec=13C NOESY, no=2241, id=3653
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name  HG2) 3.188 1.220 1.220 ! spec=13C NOESY, no=2241, id=3653
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  122 and name  HG2) 3.245 1.264 1.264 ! spec=13C NOESY, no=2247, id=3659
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  122 and name  HG2) 3.245 1.264 1.264 ! spec=13C NOESY, no=2247, id=3659
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   75 and name   HA) 2.338 2.338 3.662 ! spec=13C NOESY, no=2253, id=3665
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   77 and name   HA) 2.338 2.338 3.662 ! spec=13C NOESY, no=2253, id=3665
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   75 and name  HB2) 3.057 3.057 2.943 ! spec=13C NOESY, no=2254, id=3666
! violated assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   75 and name  HB1) 3.057 3.057 2.943 ! spec=13C NOESY, no=2254, id=3666
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   75 and name  HB3) 3.057 3.057 2.943 ! spec=13C NOESY, no=2254, id=3666
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid  134 and name  HB2) 3.057 3.057 2.943 ! spec=13C NOESY, no=2254, id=3666
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   53 and name   HB) 2.748 0.906 0.906 ! spec=13C NOESY, no=2257, id=3669
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name   HB) 2.748 0.906 0.906 ! spec=13C NOESY, no=2257, id=3669
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HG1) 2.748 0.906 0.906 ! spec=13C NOESY, no=2257, id=3669
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   53 and name   HB) 2.981 1.066 1.066 ! spec=13C NOESY, no=2259, id=3671
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name   HA) 2.981 1.066 1.066 ! spec=13C NOESY, no=2259, id=3671
! violated assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid   11 and name  HE2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2261, id=3673
! violated assign (segid "    " and resid   53 and name   HB) (segid "    " and resid  129 and name  HB2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2261, id=3673
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  129 and name  HB2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2261, id=3673
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    7 and name  HG2) 1.619 0.315 0.315 ! spec=13C NOESY, no=2262, id=3674
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HG2) 1.619 0.315 0.315 ! spec=13C NOESY, no=2262, id=3674
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name  HB2) 2.447 0.719 0.719 ! spec=13C NOESY, no=2264, id=3676
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name  HG2) 2.447 0.719 0.719 ! spec=13C NOESY, no=2264, id=3676
! violated assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   45 and name  HG2) 2.769 0.920 0.920 ! spec=13C NOESY, no=2265, id=3677
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    4 and name  HG2) 2.769 0.920 0.920 ! spec=13C NOESY, no=2265, id=3677
! violated assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid   11 and name  HD2) 2.769 0.920 0.920 ! spec=13C NOESY, no=2265, id=3677
! violated assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid    9 and name  HG2) 2.769 0.920 0.920 ! spec=13C NOESY, no=2265, id=3677
! violated assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid    9 and name  HG1) 2.769 0.920 0.920 ! spec=13C NOESY, no=2265, id=3677
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  131 and name HG11) 2.940 1.037 1.037 ! spec=13C NOESY, no=2266, id=3678
! violated assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   91 and name  HG1) 2.940 1.037 1.037 ! spec=13C NOESY, no=2266, id=3678
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   91 and name  HG1) 2.940 1.037 1.037 ! spec=13C NOESY, no=2266, id=3678
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   91 and name  HG1) 2.940 1.037 1.037 ! spec=13C NOESY, no=2266, id=3678
assign (segid "    " and resid   91 and name  HG1) (segid "    " and resid   90 and name  HB2) 2.940 1.037 1.037 ! spec=13C NOESY, no=2266, id=3678
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   69 and name  HB1) 1.889 0.428 0.428 ! spec=13C NOESY, no=2272, id=3684
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB2) 1.889 0.428 0.428 ! spec=13C NOESY, no=2272, id=3684
assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB1) 1.889 0.428 0.428 ! spec=13C NOESY, no=2272, id=3684
! violated assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name  HB2) 1.889 0.428 0.428 ! spec=13C NOESY, no=2272, id=3684
! violated assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HB1) 1.889 0.428 0.428 ! spec=13C NOESY, no=2272, id=3684
! violated assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HG2) 2.014 0.487 0.487 ! spec=13C NOESY, no=2274, id=3686
! violated assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   56 and name   HB) 2.014 0.487 0.487 ! spec=13C NOESY, no=2274, id=3686
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   56 and name   HB) 2.014 0.487 0.487 ! spec=13C NOESY, no=2274, id=3686
! violated assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name   HA) 2.014 0.487 0.487 ! spec=13C NOESY, no=2274, id=3686
! violated assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   91 and name  HG1) 2.995 1.076 1.076 ! spec=13C NOESY, no=2279, id=3691
! violated assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   77 and name  HE1) 3.059 1.123 1.123 ! spec=13C NOESY, no=2282, id=3694
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   86 and name  HZ3) 3.059 1.123 1.123 ! spec=13C NOESY, no=2282, id=3694
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   51 and name HG22) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   51 and name HG21) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
! violated assign (segid "    " and resid   53 and name   HB) (segid "    " and resid   51 and name HG23) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   53 and name   HB) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   53 and name   HB) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   53 and name   HB) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  131 and name HG22) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  131 and name HG21) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  131 and name HG23) 2.961 2.961 3.039 ! spec=13C NOESY, no=2286, id=3698
! violated assign (segid "    " and resid   18 and name  HG1) (segid "    " and resid   18 and name  HB1) 1.715 0.353 0.353 ! spec=13C NOESY, no=2291, id=3703
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   74 and name  HG2) 1.715 0.353 0.353 ! spec=13C NOESY, no=2291, id=3703
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   69 and name  HB1) 1.715 0.353 0.353 ! spec=13C NOESY, no=2291, id=3703
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB2) 1.715 0.353 0.353 ! spec=13C NOESY, no=2291, id=3703
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB1) 1.715 0.353 0.353 ! spec=13C NOESY, no=2291, id=3703
! violated assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2) 2.427 0.707 0.707 ! spec=13C NOESY, no=2292, id=3704
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG1) 2.427 0.707 0.707 ! spec=13C NOESY, no=2292, id=3704
assign (segid "    " and resid   22 and name  HE2) (segid "    " and resid   18 and name  HG2) 2.593 0.807 0.807 ! spec=13C NOESY, no=2293, id=3705
! violated assign (segid "    " and resid   22 and name  HE1) (segid "    " and resid   18 and name  HG2) 2.593 0.807 0.807 ! spec=13C NOESY, no=2293, id=3705
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   22 and name  HG1) 2.625 0.827 0.827 ! spec=13C NOESY, no=2294, id=3706
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   69 and name  HG2) 2.625 0.827 0.827 ! spec=13C NOESY, no=2294, id=3706
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name   HB) 2.625 0.827 0.827 ! spec=13C NOESY, no=2294, id=3706
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid  127 and name  HG2) 2.602 0.813 0.813 ! spec=13C NOESY, no=2295, id=3707
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid  127 and name  HG2) 2.602 0.813 0.813 ! spec=13C NOESY, no=2295, id=3707
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HG22) 2.550 0.780 0.780 ! spec=13C NOESY, no=2297, id=3709
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HG21) 2.550 0.780 0.780 ! spec=13C NOESY, no=2297, id=3709
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HG23) 2.550 0.780 0.780 ! spec=13C NOESY, no=2297, id=3709
assign (segid "    " and resid   83 and name   HB) (segid "    " and resid   83 and name HG12) 2.550 0.780 0.780 ! spec=13C NOESY, no=2297, id=3709
! violated assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   15 and name   HA) 2.578 0.797 0.797 ! spec=13C NOESY, no=2299, id=3711
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   72 and name  HA2) 2.578 0.797 0.797 ! spec=13C NOESY, no=2299, id=3711
! violated assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   69 and name  HG2) 2.578 0.797 0.797 ! spec=13C NOESY, no=2299, id=3711
! violated assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   69 and name  HG1) 2.578 0.797 0.797 ! spec=13C NOESY, no=2299, id=3711
assign (segid "    " and resid  108 and name   HA) (segid "    " and resid   83 and name   HB) 2.578 0.797 0.797 ! spec=13C NOESY, no=2299, id=3711
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   69 and name  HG2) 2.629 0.829 0.829 ! spec=13C NOESY, no=2301, id=3713
assign (segid "    " and resid   83 and name HG11) (segid "    " and resid   83 and name   HB) 2.629 0.829 0.829 ! spec=13C NOESY, no=2301, id=3713
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   91 and name  HG2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   91 and name  HG2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   91 and name  HG2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
! violated assign (segid "    " and resid   91 and name  HG2) (segid "    " and resid   79 and name HG22) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
assign (segid "    " and resid   91 and name  HG2) (segid "    " and resid   79 and name HG21) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
! violated assign (segid "    " and resid   91 and name  HG2) (segid "    " and resid   79 and name HG23) 2.655 0.846 0.846 ! spec=13C NOESY, no=2306, id=3718
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  117 and name  HB1) 2.354 2.354 3.646 ! spec=13C NOESY, no=2312, id=3724
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  117 and name  HG1) 2.354 2.354 3.646 ! spec=13C NOESY, no=2312, id=3724
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  122 and name  HG2) 3.223 3.223 2.777 ! spec=13C NOESY, no=2314, id=3726
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  122 and name  HG2) 3.223 3.223 2.777 ! spec=13C NOESY, no=2314, id=3726
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  122 and name  HG2) 3.223 3.223 2.777 ! spec=13C NOESY, no=2314, id=3726
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  124 and name  HB2) 3.223 3.223 2.777 ! spec=13C NOESY, no=2314, id=3726
! violated assign (segid "    " and resid  122 and name  HG2) (segid "    " and resid  124 and name   HG) 3.223 3.223 2.777 ! spec=13C NOESY, no=2314, id=3726
assign (segid "    " and resid  134 and name  HG2) (segid "    " and resid   50 and name   HB) 2.852 0.976 0.976 ! spec=13C NOESY, no=2316, id=3728
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid   52 and name   HB) 2.852 0.976 0.976 ! spec=13C NOESY, no=2316, id=3728
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HB) 2.834 0.963 0.963 ! spec=13C NOESY, no=2317, id=3729
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   50 and name   HB) 2.834 0.963 0.963 ! spec=13C NOESY, no=2317, id=3729
! violated assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  133 and name HG12) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  133 and name HG11) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  133 and name HG13) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   52 and name   HB) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid   52 and name   HB) (segid "    " and resid  133 and name HG22) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid   52 and name   HB) (segid "    " and resid  133 and name HG21) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
! violated assign (segid "    " and resid   52 and name   HB) (segid "    " and resid  133 and name HG23) 2.808 0.947 0.947 ! spec=13C NOESY, no=2329, id=3741
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
! violated assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
! violated assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HB) 2.113 0.536 0.536 ! spec=13C NOESY, no=2331, id=3743
! violated assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   86 and name  HB2) 2.726 0.892 0.892 ! spec=13C NOESY, no=2337, id=3749
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HB2) 2.726 0.892 0.892 ! spec=13C NOESY, no=2337, id=3749
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HB) 2.673 0.858 0.858 ! spec=13C NOESY, no=2340, id=3752
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name   HB) 2.673 0.858 0.858 ! spec=13C NOESY, no=2340, id=3752
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HB2) 2.764 0.917 0.917 ! spec=13C NOESY, no=2342, id=3754
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HD2) 2.764 0.917 0.917 ! spec=13C NOESY, no=2342, id=3754
assign (segid "    " and resid   98 and name   HB) (segid "    " and resid   97 and name   HA) 2.566 2.566 3.434 ! spec=13C NOESY, no=2346, id=3758
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   59 and name   HA) 2.566 2.566 3.434 ! spec=13C NOESY, no=2346, id=3758
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   98 and name   HB) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   98 and name   HB) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   98 and name   HB) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid  123 and name HG21) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid  123 and name HG22) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid  123 and name HG23) 2.342 0.658 0.658 ! spec=13C NOESY, no=2348, id=3760
! violated assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   98 and name   HB) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   98 and name   HB) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   98 and name   HB) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD12) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD11) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
! violated assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD13) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
! violated assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD22) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
! violated assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD21) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
! violated assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   16 and name HD23) 2.769 0.920 0.920 ! spec=13C NOESY, no=2349, id=3761
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   60 and name HG11) 3.271 1.284 1.284 ! spec=13C NOESY, no=2351, id=3763
assign (segid "    " and resid   98 and name   HB) (segid "    " and resid   37 and name HG12) 3.271 1.284 1.284 ! spec=13C NOESY, no=2351, id=3763
! violated assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   83 and name HD12) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
! violated assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   83 and name HD11) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
! violated assign (segid "    " and resid   82 and name   HB) (segid "    " and resid   83 and name HD13) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
! violated assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  128 and name HG22) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  128 and name HG21) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  128 and name HG23) 3.040 3.040 2.960 ! spec=13C NOESY, no=2352, id=3764
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG22) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG21) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid  125 and name HG23) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  130 and name HD12) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  130 and name HD11) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   93 and name  HB1) (segid "    " and resid  130 and name HD13) 2.709 2.709 3.291 ! spec=13C NOESY, no=2356, id=3768
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HB1) 2.575 0.796 0.796 ! spec=13C NOESY, no=2357, id=3769
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name   HB) 2.575 0.796 0.796 ! spec=13C NOESY, no=2357, id=3769
! violated assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   93 and name  HB2) (segid "    " and resid   90 and name HD12) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   93 and name  HB2) (segid "    " and resid   90 and name HD11) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   93 and name  HB2) (segid "    " and resid   90 and name HD13) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
! violated assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   93 and name  HB2) 3.012 3.012 2.988 ! spec=13C NOESY, no=2365, id=3777
assign (segid "    " and resid   87 and name   HB) (segid "    " and resid   84 and name   HA) 2.753 0.909 0.909 ! spec=13C NOESY, no=2370, id=3782
assign (segid "    " and resid  123 and name   HB) (segid "    " and resid   12 and name  HA2) 2.753 0.909 0.909 ! spec=13C NOESY, no=2370, id=3782
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD12) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD11) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   59 and name HD13) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid  123 and name   HB) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
assign (segid "    " and resid   60 and name HG21) (segid "    " and resid  123 and name   HB) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid  123 and name   HB) 2.638 0.835 0.835 ! spec=13C NOESY, no=2371, id=3783
! violated assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid   37 and name HG12) 2.806 0.945 0.945 ! spec=13C NOESY, no=2377, id=3789
! violated assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid   93 and name  HG1) 2.806 0.945 0.945 ! spec=13C NOESY, no=2377, id=3789
! violated assign (segid "    " and resid   99 and name  HB1) (segid "    " and resid  128 and name   HB) 2.806 0.945 0.945 ! spec=13C NOESY, no=2377, id=3789
! violated assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid   93 and name  HG1) 2.725 0.891 0.891 ! spec=13C NOESY, no=2383, id=3795
assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid  128 and name   HB) 2.725 0.891 0.891 ! spec=13C NOESY, no=2383, id=3795
assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid   93 and name  HB2) 2.936 1.034 1.034 ! spec=13C NOESY, no=2384, id=3796
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HB2) 2.936 1.034 1.034 ! spec=13C NOESY, no=2384, id=3796
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HB2) 2.936 1.034 1.034 ! spec=13C NOESY, no=2384, id=3796
assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HB2) 2.936 1.034 1.034 ! spec=13C NOESY, no=2384, id=3796
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   78 and name   HN) 2.638 0.835 0.835 ! spec=13C NOESY, no=2387, id=3798
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   81 and name  HG2) 2.638 0.835 0.835 ! spec=13C NOESY, no=2387, id=3798
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   50 and name   HN) 2.595 0.808 0.808 ! spec=13C NOESY, no=2388, id=3799
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name  HG2) 2.595 0.808 0.808 ! spec=13C NOESY, no=2388, id=3799
! violated assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name  HG2) 2.657 0.847 0.847 ! spec=13C NOESY, no=2389, id=3800
assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   80 and name   HN) 2.657 0.847 0.847 ! spec=13C NOESY, no=2389, id=3800
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name  HG2) 2.380 0.680 0.680 ! spec=13C NOESY, no=2390, id=3801
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   81 and name  HG2) 2.380 0.680 0.680 ! spec=13C NOESY, no=2390, id=3801
! violated assign (segid "    " and resid   81 and name HE22) (segid "    " and resid   81 and name  HG2) 2.380 0.680 0.680 ! spec=13C NOESY, no=2390, id=3801
! violated assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG1) 2.434 0.711 0.711 ! spec=13C NOESY, no=2391, id=3802
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   81 and name  HG2) 2.434 0.711 0.711 ! spec=13C NOESY, no=2391, id=3802
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG2) 2.434 0.711 0.711 ! spec=13C NOESY, no=2391, id=3802
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   50 and name   HB) 2.753 0.909 0.909 ! spec=13C NOESY, no=2394, id=3805
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   80 and name  HB2) 2.753 0.909 0.909 ! spec=13C NOESY, no=2394, id=3805
assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   78 and name  HB1) 2.301 0.635 0.635 ! spec=13C NOESY, no=2395, id=3806
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   78 and name  HB1) 2.301 0.635 0.635 ! spec=13C NOESY, no=2395, id=3806
! violated assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   78 and name  HG2) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   78 and name  HG2) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
! violated assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   78 and name  HG2) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   50 and name HG21) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   50 and name HG22) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   50 and name HG23) 2.518 0.761 0.761 ! spec=13C NOESY, no=2397, id=3808
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name   HN) 3.031 1.103 1.103 ! spec=13C NOESY, no=2398, id=3809
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   78 and name  HG2) 3.031 1.103 1.103 ! spec=13C NOESY, no=2398, id=3809
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG2) 2.459 0.725 0.725 ! spec=13C NOESY, no=2403, id=3814
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG1) 2.459 0.725 0.725 ! spec=13C NOESY, no=2403, id=3814
assign (segid "    " and resid   81 and name HE22) (segid "    " and resid   81 and name  HG2) 2.647 0.841 0.841 ! spec=13C NOESY, no=2415, id=3826
! violated assign (segid "    " and resid   81 and name  HG1) (segid "    " and resid   81 and name HE22) 2.647 0.841 0.841 ! spec=13C NOESY, no=2415, id=3826
assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   81 and name  HG2) 2.539 0.774 0.774 ! spec=13C NOESY, no=2417, id=3828
! violated assign (segid "    " and resid   81 and name   HA) (segid "    " and resid   81 and name  HG1) 2.539 0.774 0.774 ! spec=13C NOESY, no=2417, id=3828
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG22) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG21) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG23) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   78 and name  HG2) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   78 and name  HG2) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   78 and name  HG2) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD12) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD11) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD13) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG12) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG11) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG13) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG22) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG21) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG23) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG22) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG21) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG23) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD12) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD11) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD13) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG22) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG21) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG23) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   90 and name HD12) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   90 and name HD11) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   90 and name HD13) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   81 and name  HG1) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   81 and name  HG1) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   81 and name  HG1) 2.865 2.865 3.135 ! spec=13C NOESY, no=2418, id=3829
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG22) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG21) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   51 and name HG23) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   78 and name  HG2) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   78 and name  HG2) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   78 and name  HG2) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD12) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD11) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   90 and name HD13) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG12) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG11) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid  133 and name HG13) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG22) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG21) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   51 and name HG23) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG22) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG21) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   82 and name HG23) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD12) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD11) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   90 and name HD13) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG22) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG21) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   82 and name HG23) 3.005 3.005 2.995 ! spec=13C NOESY, no=2419, id=3830
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name   HB) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name   HB) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name   HB) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   90 and name  HB2) (segid "    " and resid   51 and name   HB) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  127 and name  HB1) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  127 and name  HB1) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  127 and name  HB1) 2.650 0.843 0.843 ! spec=13C NOESY, no=2422, id=3832
! violated assign (segid "    " and resid  130 and name   HA) (segid "    " and resid   51 and name   HB) 3.127 3.127 2.873 ! spec=13C NOESY, no=2425, id=3835
assign (segid "    " and resid   51 and name   HB) (segid "    " and resid  133 and name   HA) 3.127 3.127 2.873 ! spec=13C NOESY, no=2425, id=3835
! violated assign (segid "    " and resid  134 and name  HB2) (segid "    " and resid   50 and name   HA) 2.937 1.035 1.035 ! spec=13C NOESY, no=2438, id=3848
! violated assign (segid "    " and resid  134 and name  HB2) (segid "    " and resid   49 and name   HA) 2.937 1.035 1.035 ! spec=13C NOESY, no=2438, id=3848
assign (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   87 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   87 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   87 and name   HB) 2.292 0.630 0.630 ! spec=13C NOESY, no=2449, id=3859
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name  HB2) 3.021 1.095 1.095 ! spec=13C NOESY, no=2465, id=3875
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  127 and name  HB2) 3.021 1.095 1.095 ! spec=13C NOESY, no=2465, id=3875
assign (segid "    " and resid  127 and name  HB2) (segid "    " and resid  127 and name  HG2) 2.074 0.516 0.516 ! spec=13C NOESY, no=2473, id=3883
assign (segid "    " and resid   73 and name  HG2) (segid "    " and resid   73 and name  HB1) 2.074 0.516 0.516 ! spec=13C NOESY, no=2473, id=3883
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  134 and name  HB1) 2.655 0.846 0.846 ! spec=13C NOESY, no=2477, id=3887
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid  134 and name  HB2) 2.655 0.846 0.846 ! spec=13C NOESY, no=2477, id=3887
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   17 and name   HB) 2.704 2.704 3.296 ! spec=13C NOESY, no=2482, id=3892
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   17 and name   HB) 2.704 2.704 3.296 ! spec=13C NOESY, no=2482, id=3892
assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   17 and name   HB) 2.704 2.704 3.296 ! spec=13C NOESY, no=2482, id=3892
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   20 and name  HD2) 2.704 2.704 3.296 ! spec=13C NOESY, no=2482, id=3892
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  101 and name   HB) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  104 and name  HB2) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  104 and name  HG2) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD22) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD21) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name HD23) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid   32 and name   HG) 3.043 3.043 2.957 ! spec=13C NOESY, no=2485, id=3895
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  102 and name   HA) 3.142 1.185 1.185 ! spec=13C NOESY, no=2489, id=3899
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  125 and name   HA) 3.142 1.185 1.185 ! spec=13C NOESY, no=2489, id=3899
! violated assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   13 and name  HB1) 3.236 1.257 1.257 ! spec=13C NOESY, no=2497, id=3907
! violated assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   16 and name  HB1) 3.236 1.257 1.257 ! spec=13C NOESY, no=2497, id=3907
! violated assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   16 and name  HB1) 2.987 1.070 1.070 ! spec=13C NOESY, no=2498, id=3908
! violated assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   18 and name  HB1) 2.987 1.070 1.070 ! spec=13C NOESY, no=2498, id=3908
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   53 and name   HA) 2.889 1.002 1.002 ! spec=13C NOESY, no=2500, id=3910
assign (segid "    " and resid  100 and name  HB2) (segid "    " and resid  100 and name   HA) 2.889 1.002 1.002 ! spec=13C NOESY, no=2500, id=3910
! violated assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   54 and name  HB2) 3.265 1.280 1.280 ! spec=13C NOESY, no=2502, id=3912
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   69 and name  HB1) 3.265 1.280 1.280 ! spec=13C NOESY, no=2502, id=3912
! violated assign (segid "    " and resid   74 and name  HB1) (segid "    " and resid   75 and name   HA) 2.675 0.859 0.859 ! spec=13C NOESY, no=2515, id=3925
! violated assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid    2 and name   HA) 2.675 0.859 0.859 ! spec=13C NOESY, no=2515, id=3925
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  100 and name  HB2) 2.674 0.858 0.858 ! spec=13C NOESY, no=2519, id=3929
! violated assign (segid "    " and resid  100 and name  HB2) (segid "    " and resid  101 and name   HN) 2.674 0.858 0.858 ! spec=13C NOESY, no=2519, id=3929
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HG1) 2.645 0.839 0.839 ! spec=13C NOESY, no=2521, id=3931
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name  HG1) 2.645 0.839 0.839 ! spec=13C NOESY, no=2521, id=3931
assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid    9 and name  HB1) 3.091 1.146 1.146 ! spec=13C NOESY, no=2524, id=3934
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB1) 3.091 1.146 1.146 ! spec=13C NOESY, no=2524, id=3934
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HB2) 2.192 0.576 0.576 ! spec=13C NOESY, no=2525, id=3935
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name  HB2) 2.192 0.576 0.576 ! spec=13C NOESY, no=2525, id=3935
assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HB1) 2.389 0.685 0.685 ! spec=13C NOESY, no=2530, id=3940
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HB1) 2.389 0.685 0.685 ! spec=13C NOESY, no=2530, id=3940
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HB1) 2.389 0.685 0.685 ! spec=13C NOESY, no=2530, id=3940
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HB1) 2.389 0.685 0.685 ! spec=13C NOESY, no=2530, id=3940
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HB1) 2.981 1.067 1.067 ! spec=13C NOESY, no=2531, id=3941
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB2) 2.981 1.067 1.067 ! spec=13C NOESY, no=2531, id=3941
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HB2) 2.563 0.789 0.789 ! spec=13C NOESY, no=2539, id=3949
! violated assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HB2) 2.563 0.789 0.789 ! spec=13C NOESY, no=2539, id=3949
! violated assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   15 and name  HB2) 2.836 0.965 0.965 ! spec=13C NOESY, no=2540, id=3950
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB1) 2.836 0.965 0.965 ! spec=13C NOESY, no=2540, id=3950
! violated assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid   99 and name  HB1) 2.836 0.965 0.965 ! spec=13C NOESY, no=2540, id=3950
! violated assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB2) 2.810 0.948 0.948 ! spec=13C NOESY, no=2541, id=3951
! violated assign (segid "    " and resid  121 and name  HB1) (segid "    " and resid  120 and name  HB1) 2.810 0.948 0.948 ! spec=13C NOESY, no=2541, id=3951
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name   HA) 2.183 0.572 0.572 ! spec=13C NOESY, no=2544, id=3954
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HA) 2.183 0.572 0.572 ! spec=13C NOESY, no=2544, id=3954
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HB2) 2.183 0.572 0.572 ! spec=13C NOESY, no=2544, id=3954
assign (segid "    " and resid  117 and name  HB2) (segid "    " and resid  117 and name   HA) 2.183 0.572 0.572 ! spec=13C NOESY, no=2544, id=3954
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   74 and name  HB1) 2.735 0.898 0.898 ! spec=13C NOESY, no=2545, id=3955
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HB2) 2.735 0.898 0.898 ! spec=13C NOESY, no=2545, id=3955
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   60 and name HG11) 2.735 0.898 0.898 ! spec=13C NOESY, no=2546, id=3956
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   60 and name HG11) 2.735 0.898 0.898 ! spec=13C NOESY, no=2546, id=3956
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HB2) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HB2) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HB2) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HB1) 2.344 0.660 0.660 ! spec=13C NOESY, no=2547, id=3957
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 2.309 0.640 0.640 ! spec=13C NOESY, no=2548, id=3958
! violated assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN) 2.309 0.640 0.640 ! spec=13C NOESY, no=2548, id=3958
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HB2) 2.504 0.752 0.752 ! spec=13C NOESY, no=2549, id=3959
! violated assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HB2) 2.504 0.752 0.752 ! spec=13C NOESY, no=2549, id=3959
! violated assign (segid "    " and resid  117 and name  HD2) (segid "    " and resid  117 and name  HB2) 2.504 0.752 0.752 ! spec=13C NOESY, no=2549, id=3959
! violated assign (segid "    " and resid  117 and name  HD1) (segid "    " and resid  117 and name  HB2) 2.504 0.752 0.752 ! spec=13C NOESY, no=2549, id=3959
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   60 and name HG12) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   27 and name   HB) 1.920 0.442 0.442 ! spec=13C NOESY, no=2550, id=3960
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HB1) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HB1) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HB1) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  125 and name HD12) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  125 and name HD11) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  125 and name HD13) 2.748 2.748 3.252 ! spec=13C NOESY, no=2551, id=3961
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HB2) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HB2) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HB2) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HB1) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HB1) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HB1) 2.898 1.008 1.008 ! spec=13C NOESY, no=2552, id=3962
! violated assign (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HB1) 2.540 0.774 0.774 ! spec=13C NOESY, no=2555, id=3965
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HB2) 2.540 0.774 0.774 ! spec=13C NOESY, no=2555, id=3965
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   27 and name   HB) 2.540 0.774 0.774 ! spec=13C NOESY, no=2555, id=3965
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HB2) 2.325 0.649 0.649 ! spec=13C NOESY, no=2556, id=3966
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HB1) 2.325 0.649 0.649 ! spec=13C NOESY, no=2556, id=3966
! violated assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HB2) 2.638 0.835 0.835 ! spec=13C NOESY, no=2559, id=3969
! violated assign (segid "    " and resid  120 and name  HB2) (segid "    " and resid  113 and name  HB2) 2.638 0.835 0.835 ! spec=13C NOESY, no=2559, id=3969
! violated assign (segid "    " and resid  135 and name  HB2) (segid "    " and resid  137 and name  HB2) 2.638 0.835 0.835 ! spec=13C NOESY, no=2559, id=3969
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   74 and name  HB1) 2.084 0.521 0.521 ! spec=13C NOESY, no=2560, id=3970
assign (segid "    " and resid  100 and name  HB2) (segid "    " and resid  100 and name  HB1) 2.084 0.521 0.521 ! spec=13C NOESY, no=2560, id=3970
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HB2) 2.163 0.561 0.561 ! spec=13C NOESY, no=2561, id=3971
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HB2) 2.163 0.561 0.561 ! spec=13C NOESY, no=2561, id=3971
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HB2) 2.163 0.561 0.561 ! spec=13C NOESY, no=2561, id=3971
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid  131 and name HG11) 2.163 0.561 0.561 ! spec=13C NOESY, no=2561, id=3971
! violated assign (segid "    " and resid  131 and name HD12) (segid "    " and resid   74 and name  HB2) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
! violated assign (segid "    " and resid  131 and name HD11) (segid "    " and resid   74 and name  HB2) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
! violated assign (segid "    " and resid  131 and name HD13) (segid "    " and resid   74 and name  HB2) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  114 and name   HB) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  114 and name   HB) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  114 and name   HB) 2.520 0.762 0.762 ! spec=13C NOESY, no=2562, id=3972
! violated assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   45 and name  HG1) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   94 and name  HG2) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid  130 and name  HB1) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   45 and name  HB2) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   45 and name  HG1) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   90 and name  HB1) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   91 and name  HB2) 2.727 0.892 0.892 ! spec=13C NOESY, no=2565, id=3975
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name  HB1) 2.832 0.962 0.962 ! spec=13C NOESY, no=2567, id=3976
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   90 and name   HG) 2.832 0.962 0.962 ! spec=13C NOESY, no=2567, id=3976
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   43 and name   HN) 3.061 1.124 1.124 ! spec=13C NOESY, no=2569, id=3978
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  104 and name  HB1) 3.061 1.124 1.124 ! spec=13C NOESY, no=2569, id=3978
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HB1) 2.832 0.963 0.963 ! spec=13C NOESY, no=2571, id=3980
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   97 and name  HB2) 2.832 0.963 0.963 ! spec=13C NOESY, no=2571, id=3980
! violated assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid   31 and name  HA1) 2.832 0.963 0.963 ! spec=13C NOESY, no=2571, id=3980
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HG2) 2.424 0.705 0.705 ! spec=13C NOESY, no=2572, id=3981
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HG1) 2.424 0.705 0.705 ! spec=13C NOESY, no=2572, id=3981
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HB2) 1.929 0.446 0.446 ! spec=13C NOESY, no=2573, id=3982
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  104 and name  HB2) 1.929 0.446 0.446 ! spec=13C NOESY, no=2573, id=3982
! violated assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name  HB2) 2.913 1.019 1.019 ! spec=13C NOESY, no=2574, id=3983
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   44 and name  HD2) 2.913 1.019 1.019 ! spec=13C NOESY, no=2574, id=3983
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   83 and name HG22) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
! violated assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   83 and name HG21) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
! violated assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   83 and name HG23) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD12) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD11) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD13) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD22) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD21) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid  107 and name HD23) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid   16 and name HD12) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid   16 and name HD11) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid   16 and name HD13) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  107 and name HD12) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
! violated assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  107 and name HD11) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  107 and name HD13) 2.325 2.325 3.675 ! spec=13C NOESY, no=2575, id=3984
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   97 and name   HN) 3.250 1.268 1.268 ! spec=13C NOESY, no=2577, id=3986
! violated assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  108 and name   HN) 3.250 1.268 1.268 ! spec=13C NOESY, no=2577, id=3986
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name  HB1) 2.768 0.919 0.919 ! spec=13C NOESY, no=2578, id=3987
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB1) 2.768 0.919 0.919 ! spec=13C NOESY, no=2578, id=3987
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HD2) 2.819 0.954 0.954 ! spec=13C NOESY, no=2580, id=3989
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   97 and name  HB2) 2.819 0.954 0.954 ! spec=13C NOESY, no=2580, id=3989
! violated assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid   31 and name  HA1) 2.819 0.954 0.954 ! spec=13C NOESY, no=2580, id=3989
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HG2) 2.417 0.701 0.701 ! spec=13C NOESY, no=2585, id=3994
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HG1) 2.417 0.701 0.701 ! spec=13C NOESY, no=2585, id=3994
! violated assign (segid "    " and resid   72 and name  HA1) (segid "    " and resid   54 and name  HB2) 2.783 0.929 0.929 ! spec=13C NOESY, no=2588, id=3997
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HB1) 2.783 0.929 0.929 ! spec=13C NOESY, no=2588, id=3997
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name   HA) 2.530 0.768 0.768 ! spec=13C NOESY, no=2589, id=3998
assign (segid "    " and resid  120 and name  HB1) (segid "    " and resid  120 and name   HA) 2.530 0.768 0.768 ! spec=13C NOESY, no=2589, id=3998
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name   HA) 2.046 0.503 0.503 ! spec=13C NOESY, no=2592, id=4001
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   54 and name  HB2) 2.046 0.503 0.503 ! spec=13C NOESY, no=2592, id=4001
! violated assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   64 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   64 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   64 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   60 and name HG12) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   43 and name HG12) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   43 and name HG11) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
assign (segid "    " and resid   43 and name HG13) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   43 and name   HB) 1.768 0.375 0.375 ! spec=13C NOESY, no=2594, id=4003
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2595, id=4004
! violated assign (segid "    " and resid   72 and name  HA1) (segid "    " and resid   54 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2595, id=4004
! violated assign (segid "    " and resid  117 and name  HD2) (segid "    " and resid  117 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2595, id=4004
! violated assign (segid "    " and resid  117 and name  HD1) (segid "    " and resid  117 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2595, id=4004
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.378 0.679 0.679 ! spec=13C NOESY, no=2596, id=4005
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB1) 2.378 0.679 0.679 ! spec=13C NOESY, no=2596, id=4005
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB2) 2.378 0.679 0.679 ! spec=13C NOESY, no=2596, id=4005
! violated assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   28 and name   HA) 2.565 0.789 0.789 ! spec=13C NOESY, no=2597, id=4006
! violated assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   49 and name   HA) 2.565 0.789 0.789 ! spec=13C NOESY, no=2597, id=4006
! violated assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   50 and name   HA) 2.565 0.789 0.789 ! spec=13C NOESY, no=2597, id=4006
! violated assign (segid "    " and resid   74 and name  HB1) (segid "    " and resid   73 and name   HA) 2.565 0.789 0.789 ! spec=13C NOESY, no=2597, id=4006
! violated assign (segid "    " and resid   74 and name  HB1) (segid "    " and resid   75 and name   HA) 2.565 0.789 0.789 ! spec=13C NOESY, no=2597, id=4006
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   20 and name  HB1) 1.907 0.436 0.436 ! spec=13C NOESY, no=2598, id=4007
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   74 and name  HB1) 1.907 0.436 0.436 ! spec=13C NOESY, no=2598, id=4007
assign (segid "    " and resid  117 and name  HB2) (segid "    " and resid  117 and name  HG2) 1.907 0.436 0.436 ! spec=13C NOESY, no=2598, id=4007
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HB1) 2.749 0.907 0.907 ! spec=13C NOESY, no=2599, id=4008
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  104 and name  HB2) 2.749 0.907 0.907 ! spec=13C NOESY, no=2599, id=4008
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB2) 2.488 0.743 0.743 ! spec=13C NOESY, no=2601, id=4010
! violated assign (segid "    " and resid  117 and name  HD2) (segid "    " and resid  117 and name  HB2) 2.488 0.743 0.743 ! spec=13C NOESY, no=2601, id=4010
! violated assign (segid "    " and resid  117 and name  HD1) (segid "    " and resid  117 and name  HB2) 2.488 0.743 0.743 ! spec=13C NOESY, no=2601, id=4010
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name  HB2) 2.488 0.743 0.743 ! spec=13C NOESY, no=2601, id=4010
assign (segid "    " and resid  120 and name  HD2) (segid "    " and resid    4 and name  HB1) 2.816 0.952 0.952 ! spec=13C NOESY, no=2602, id=4011
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid    4 and name  HB1) 2.816 0.952 0.952 ! spec=13C NOESY, no=2602, id=4011
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HB2) 2.816 0.952 0.952 ! spec=13C NOESY, no=2602, id=4011
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB2) 2.353 0.665 0.665 ! spec=13C NOESY, no=2604, id=4013
! violated assign (segid "    " and resid  135 and name  HB1) (segid "    " and resid  135 and name   HN) 2.353 0.665 0.665 ! spec=13C NOESY, no=2604, id=4013
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.353 0.665 0.665 ! spec=13C NOESY, no=2604, id=4013
! violated assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   51 and name   HA) 3.077 1.136 1.136 ! spec=13C NOESY, no=2605, id=4014
! violated assign (segid "    " and resid  117 and name  HB2) (segid "    " and resid   65 and name   HA) 3.077 1.136 1.136 ! spec=13C NOESY, no=2605, id=4014
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.022 0.491 0.491 ! spec=13C NOESY, no=2606, id=4015
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name   HA) 2.022 0.491 0.491 ! spec=13C NOESY, no=2606, id=4015
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HA) 2.022 0.491 0.491 ! spec=13C NOESY, no=2606, id=4015
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid   84 and name  HB2) 2.022 0.491 0.491 ! spec=13C NOESY, no=2606, id=4015
assign (segid "    " and resid  117 and name  HB2) (segid "    " and resid  117 and name   HA) 2.022 0.491 0.491 ! spec=13C NOESY, no=2606, id=4015
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.190 0.576 0.576 ! spec=13C NOESY, no=2607, id=4016
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.190 0.576 0.576 ! spec=13C NOESY, no=2607, id=4016
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB2) 2.243 0.604 0.604 ! spec=13C NOESY, no=2610, id=4019
! violated assign (segid "    " and resid  135 and name  HB1) (segid "    " and resid  135 and name   HN) 2.243 0.604 0.604 ! spec=13C NOESY, no=2610, id=4019
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HB1) 2.243 0.604 0.604 ! spec=13C NOESY, no=2610, id=4019
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.121 0.540 0.540 ! spec=13C NOESY, no=2612, id=4021
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB2) 2.121 0.540 0.540 ! spec=13C NOESY, no=2612, id=4021
assign (segid "    " and resid    9 and name  HG1) (segid "    " and resid    9 and name  HB2) 1.867 0.418 0.418 ! spec=13C NOESY, no=2613, id=4022
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name  HG2) 1.867 0.418 0.418 ! spec=13C NOESY, no=2613, id=4022
! violated assign (segid "    " and resid   84 and name  HB2) (segid "    " and resid  107 and name  HB2) 1.867 0.418 0.418 ! spec=13C NOESY, no=2613, id=4022
! violated assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB1) 1.867 0.418 0.418 ! spec=13C NOESY, no=2613, id=4022
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB1) 1.867 0.418 0.418 ! spec=13C NOESY, no=2613, id=4022
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   74 and name  HB2) 2.690 0.868 0.868 ! spec=13C NOESY, no=2614, id=4023
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HB2) 2.690 0.868 0.868 ! spec=13C NOESY, no=2614, id=4023
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.750 0.907 0.907 ! spec=13C NOESY, no=2617, id=4026
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   20 and name  HB2) 2.750 0.907 0.907 ! spec=13C NOESY, no=2617, id=4026
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   48 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=2618, id=4027
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   48 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=2618, id=4027
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   73 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=2618, id=4027
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   75 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=2618, id=4027
assign (segid "    " and resid  135 and name  HB2) (segid "    " and resid   49 and name   HA) 2.435 2.435 3.565 ! spec=13C NOESY, no=2618, id=4027
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 1.952 0.457 0.457 ! spec=13C NOESY, no=2621, id=4030
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 1.952 0.457 0.457 ! spec=13C NOESY, no=2621, id=4030
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB2) 1.952 0.457 0.457 ! spec=13C NOESY, no=2621, id=4030
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 1.952 0.457 0.457 ! spec=13C NOESY, no=2621, id=4030
assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB2) 2.492 0.745 0.745 ! spec=13C NOESY, no=2622, id=4031
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HB1) 2.492 0.745 0.745 ! spec=13C NOESY, no=2622, id=4031
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HB2) 2.006 0.483 0.483 ! spec=13C NOESY, no=2623, id=4032
assign (segid "    " and resid  135 and name  HG2) (segid "    " and resid  135 and name  HB2) 2.006 0.483 0.483 ! spec=13C NOESY, no=2623, id=4032
assign (segid "    " and resid  135 and name  HG1) (segid "    " and resid  135 and name  HB2) 2.006 0.483 0.483 ! spec=13C NOESY, no=2623, id=4032
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HB2) 1.945 0.454 0.454 ! spec=13C NOESY, no=2624, id=4033
! violated assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HB2) 1.945 0.454 0.454 ! spec=13C NOESY, no=2624, id=4033
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB2) 1.945 0.454 0.454 ! spec=13C NOESY, no=2624, id=4033
! violated assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HB1) 1.945 0.454 0.454 ! spec=13C NOESY, no=2624, id=4033
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG12) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG11) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG13) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name  HB2) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name  HB2) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name  HB2) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid  131 and name HG11) 2.411 0.698 0.698 ! spec=13C NOESY, no=2626, id=4035
! violated assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 2.252 0.609 0.609 ! spec=13C NOESY, no=2627, id=4036
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  135 and name  HB2) 2.252 0.609 0.609 ! spec=13C NOESY, no=2627, id=4036
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   74 and name  HB2) 2.961 1.052 1.052 ! spec=13C NOESY, no=2631, id=4040
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name  HB2) 2.961 1.052 1.052 ! spec=13C NOESY, no=2631, id=4040
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HB2) 2.746 0.905 0.905 ! spec=13C NOESY, no=2635, id=4044
! violated assign (segid "    " and resid  120 and name  HB2) (segid "    " and resid  113 and name  HB2) 2.746 0.905 0.905 ! spec=13C NOESY, no=2635, id=4044
! violated assign (segid "    " and resid  120 and name  HB2) (segid "    " and resid  113 and name  HB1) 2.746 0.905 0.905 ! spec=13C NOESY, no=2635, id=4044
! violated assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   94 and name  HB2) 2.867 0.986 0.986 ! spec=13C NOESY, no=2637, id=4046
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HB2) 2.867 0.986 0.986 ! spec=13C NOESY, no=2637, id=4046
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   94 and name  HB2) 2.849 0.974 0.974 ! spec=13C NOESY, no=2643, id=4052
! violated assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   97 and name  HB2) 2.849 0.974 0.974 ! spec=13C NOESY, no=2643, id=4052
! violated assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   41 and name  HB2) 3.195 1.225 1.225 ! spec=13C NOESY, no=2644, id=4053
! violated assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   41 and name  HB1) 3.195 1.225 1.225 ! spec=13C NOESY, no=2644, id=4053
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid   94 and name  HB2) 3.195 1.225 1.225 ! spec=13C NOESY, no=2644, id=4053
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   94 and name  HB2) 3.195 1.225 1.225 ! spec=13C NOESY, no=2644, id=4053
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   34 and name  HD1) 2.871 0.989 0.989 ! spec=13C NOESY, no=2649, id=4058
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   34 and name  HE1) 2.871 0.989 0.989 ! spec=13C NOESY, no=2649, id=4058
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   82 and name   HA) 2.679 2.679 3.321 ! spec=13C NOESY, no=2655, id=4064
assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   84 and name   HA) 2.679 2.679 3.321 ! spec=13C NOESY, no=2655, id=4064
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   43 and name   HA) 2.908 1.015 1.015 ! spec=13C NOESY, no=2663, id=4072
! violated assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   97 and name  HB1) 2.908 1.015 1.015 ! spec=13C NOESY, no=2663, id=4072
! violated assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  105 and name   HA) 2.908 1.015 1.015 ! spec=13C NOESY, no=2663, id=4072
! violated assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   83 and name   HA) 2.908 1.015 1.015 ! spec=13C NOESY, no=2663, id=4072
! violated assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   85 and name  HA2) 2.908 1.015 1.015 ! spec=13C NOESY, no=2663, id=4072
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HD2) 2.845 0.971 0.971 ! spec=13C NOESY, no=2664, id=4073
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB1) 2.845 0.971 0.971 ! spec=13C NOESY, no=2664, id=4073
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HB) 2.311 0.641 0.641 ! spec=13C NOESY, no=2667, id=4076
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  104 and name  HB2) 2.311 0.641 0.641 ! spec=13C NOESY, no=2667, id=4076
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2668, id=4077
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB1) 2.534 0.771 0.771 ! spec=13C NOESY, no=2668, id=4077
! violated assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   50 and name   HN) 2.534 0.771 0.771 ! spec=13C NOESY, no=2668, id=4077
! violated assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   54 and name  HB2) 2.534 0.771 0.771 ! spec=13C NOESY, no=2668, id=4077
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB2) 2.033 0.496 0.496 ! spec=13C NOESY, no=2669, id=4078
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB2) 2.033 0.496 0.496 ! spec=13C NOESY, no=2669, id=4078
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   64 and name   HA) 2.550 0.781 0.781 ! spec=13C NOESY, no=2670, id=4079
assign (segid "    " and resid   84 and name  HB2) (segid "    " and resid   84 and name   HA) 2.550 0.781 0.781 ! spec=13C NOESY, no=2670, id=4079
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name   HA) 1.880 0.424 0.424 ! spec=13C NOESY, no=2671, id=4080
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 1.880 0.424 0.424 ! spec=13C NOESY, no=2671, id=4080
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 1.880 0.424 0.424 ! spec=13C NOESY, no=2671, id=4080
assign (segid "    " and resid   70 and name  HB2) (segid "    " and resid   67 and name  HB2) 2.699 0.874 0.874 ! spec=13C NOESY, no=2672, id=4081
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   84 and name  HB2) 2.699 0.874 0.874 ! spec=13C NOESY, no=2672, id=4081
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HB2) 2.699 0.874 0.874 ! spec=13C NOESY, no=2672, id=4081
! violated assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid  129 and name  HB2) 2.593 0.807 0.807 ! spec=13C NOESY, no=2673, id=4082
! violated assign (segid "    " and resid   70 and name  HE2) (segid "    " and resid   70 and name  HB2) 2.593 0.807 0.807 ! spec=13C NOESY, no=2673, id=4082
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name  HG2) 1.915 0.440 0.440 ! spec=13C NOESY, no=2674, id=4083
assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HB2) 1.915 0.440 0.440 ! spec=13C NOESY, no=2674, id=4083
! violated assign (segid "    " and resid   84 and name  HB2) (segid "    " and resid  107 and name  HB2) 1.915 0.440 0.440 ! spec=13C NOESY, no=2674, id=4083
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid  121 and name HD21) 3.240 1.260 1.260 ! spec=13C NOESY, no=2676, id=4085
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name   HB) 3.240 1.260 1.260 ! spec=13C NOESY, no=2676, id=4085
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name  HB2) 3.240 1.260 1.260 ! spec=13C NOESY, no=2676, id=4085
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name  HB2) 2.950 1.044 1.044 ! spec=13C NOESY, no=2677, id=4086
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    4 and name  HB1) 2.950 1.044 1.044 ! spec=13C NOESY, no=2677, id=4086
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   77 and name  HD1) 2.911 2.911 3.089 ! spec=13C NOESY, no=2689, id=4097
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   91 and name HE21) 2.911 2.911 3.089 ! spec=13C NOESY, no=2689, id=4097
! violated assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   79 and name   HA) 3.249 1.267 1.267 ! spec=13C NOESY, no=2695, id=4103
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   51 and name   HB) 3.249 1.267 1.267 ! spec=13C NOESY, no=2695, id=4103
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   90 and name  HB1) 3.249 1.267 1.267 ! spec=13C NOESY, no=2695, id=4103
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   51 and name   HB) 2.986 1.070 1.070 ! spec=13C NOESY, no=2696, id=4104
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   90 and name  HB1) 2.986 1.070 1.070 ! spec=13C NOESY, no=2696, id=4104
! violated assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   90 and name   HG) 2.986 1.070 1.070 ! spec=13C NOESY, no=2696, id=4104
! violated assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
! violated assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
! violated assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
! violated assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   79 and name   HA) 2.131 0.545 0.545 ! spec=13C NOESY, no=2697, id=4105
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name   HB) 2.672 0.857 0.857 ! spec=13C NOESY, no=2699, id=4107
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HB) 2.672 0.857 0.857 ! spec=13C NOESY, no=2699, id=4107
assign (segid "    " and resid   79 and name   HB) (segid "    " and resid   48 and name   HA) 2.987 1.071 1.071 ! spec=13C NOESY, no=2701, id=4109
! violated assign (segid "    " and resid   79 and name   HB) (segid "    " and resid   50 and name   HA) 2.987 1.071 1.071 ! spec=13C NOESY, no=2701, id=4109
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name   HB) 2.863 0.983 0.983 ! spec=13C NOESY, no=2702, id=4110
! violated assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid   65 and name  HB1) 2.863 0.983 0.983 ! spec=13C NOESY, no=2702, id=4110
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   79 and name   HB) 2.172 0.566 0.566 ! spec=13C NOESY, no=2703, id=4111
! violated assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HB) 2.490 0.744 0.744 ! spec=13C NOESY, no=2706, id=4114
! violated assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid   63 and name   HB) 2.490 0.744 0.744 ! spec=13C NOESY, no=2706, id=4114
assign (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name   HA) 2.348 0.662 0.662 ! spec=13C NOESY, no=2707, id=4115
! violated assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB1) 2.348 0.662 0.662 ! spec=13C NOESY, no=2707, id=4115
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name  HB1) 2.348 0.662 0.662 ! spec=13C NOESY, no=2707, id=4115
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name  HD1) 2.348 0.662 0.662 ! spec=13C NOESY, no=2707, id=4115
assign (segid "    " and resid   79 and name HG12) (segid "    " and resid   79 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid   79 and name HG11) (segid "    " and resid   79 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
! violated assign (segid "    " and resid   79 and name HG13) (segid "    " and resid   79 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
! violated assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
! violated assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HB) 2.007 0.483 0.483 ! spec=13C NOESY, no=2708, id=4116
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    2 and name   HA) 2.497 2.497 3.503 ! spec=13C NOESY, no=2711, id=4119
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HA) 2.497 2.497 3.503 ! spec=13C NOESY, no=2711, id=4119
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   39 and name   HA) 2.497 2.497 3.503 ! spec=13C NOESY, no=2711, id=4119
assign (segid "    " and resid  112 and name  HB2) (segid "    " and resid  113 and name   HA) 2.497 2.497 3.503 ! spec=13C NOESY, no=2711, id=4119
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.084 0.521 0.521 ! spec=13C NOESY, no=2712, id=4120
! violated assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name   HA) 2.084 0.521 0.521 ! spec=13C NOESY, no=2712, id=4120
! violated assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   91 and name HE22) 2.291 0.630 0.630 ! spec=13C NOESY, no=2713, id=4121
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   91 and name HE22) 2.291 0.630 0.630 ! spec=13C NOESY, no=2713, id=4121
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.291 0.630 0.630 ! spec=13C NOESY, no=2713, id=4121
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   20 and name  HB2) 2.291 0.630 0.630 ! spec=13C NOESY, no=2713, id=4121
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG12) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG11) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   27 and name HG13) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HB1) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HB1) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HB1) 2.288 0.628 0.628 ! spec=13C NOESY, no=2714, id=4122
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   20 and name  HB2) 2.737 0.899 0.899 ! spec=13C NOESY, no=2716, id=4124
! violated assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   25 and name   HB) 2.737 0.899 0.899 ! spec=13C NOESY, no=2716, id=4124
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HB2) 2.310 2.310 3.690 ! spec=13C NOESY, no=2718, id=4126
assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   91 and name  HB1) 2.203 0.583 0.583 ! spec=13C NOESY, no=2728, id=4128
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HA) 2.203 0.583 0.583 ! spec=13C NOESY, no=2728, id=4128
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HB1) 2.652 0.844 0.844 ! spec=13C NOESY, no=2729, id=4129
! violated assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   91 and name  HB1) 2.652 0.844 0.844 ! spec=13C NOESY, no=2729, id=4129
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   79 and name   HB) 2.880 0.995 0.995 ! spec=13C NOESY, no=2732, id=4132
! violated assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   91 and name  HB1) 2.880 0.995 0.995 ! spec=13C NOESY, no=2732, id=4132
assign (segid "    " and resid  111 and name  HB2) (segid "    " and resid  111 and name   HA) 2.240 0.602 0.602 ! spec=13C NOESY, no=2734, id=4134
assign (segid "    " and resid  111 and name  HB1) (segid "    " and resid  111 and name   HA) 2.240 0.602 0.602 ! spec=13C NOESY, no=2734, id=4134
assign (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name   HA) 2.526 0.765 0.765 ! spec=13C NOESY, no=2736, id=4136
! violated assign (segid "    " and resid   88 and name   HA) (segid "    " and resid   91 and name  HB1) 2.526 0.765 0.765 ! spec=13C NOESY, no=2736, id=4136
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   79 and name   HB) 2.355 0.665 0.665 ! spec=13C NOESY, no=2737, id=4137
! violated assign (segid "    " and resid  111 and name  HB1) (segid "    " and resid  111 and name  HD2) 2.355 0.665 0.665 ! spec=13C NOESY, no=2737, id=4137
assign (segid "    " and resid   23 and name  HB1) (segid "    " and resid   23 and name  HB2) 1.883 0.425 0.425 ! spec=13C NOESY, no=2738, id=4138
assign (segid "    " and resid   91 and name  HB1) (segid "    " and resid   91 and name  HB2) 1.883 0.425 0.425 ! spec=13C NOESY, no=2738, id=4138
! violated assign (segid "    " and resid  111 and name  HD2) (segid "    " and resid  111 and name  HB2) 2.736 0.898 0.898 ! spec=13C NOESY, no=2740, id=4140
assign (segid "    " and resid  111 and name  HB1) (segid "    " and resid  111 and name  HD2) 2.736 0.898 0.898 ! spec=13C NOESY, no=2740, id=4140
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HA) 2.333 0.653 0.653 ! spec=13C NOESY, no=2742, id=4142
assign (segid "    " and resid  112 and name   HA) (segid "    " and resid  112 and name  HB2) 2.333 0.653 0.653 ! spec=13C NOESY, no=2742, id=4142
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    4 and name  HB1) 2.650 0.843 0.843 ! spec=13C NOESY, no=2744, id=4144
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HB2) 2.650 0.843 0.843 ! spec=13C NOESY, no=2744, id=4144
! violated assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HB2) 2.650 0.843 0.843 ! spec=13C NOESY, no=2744, id=4144
! violated assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   63 and name   HA) 2.650 0.843 0.843 ! spec=13C NOESY, no=2744, id=4144
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  122 and name  HB2) 2.469 0.732 0.732 ! spec=13C NOESY, no=2747, id=4147
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 2.469 0.732 0.732 ! spec=13C NOESY, no=2747, id=4147
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HB2) 2.687 0.866 0.866 ! spec=13C NOESY, no=2751, id=4151
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  122 and name  HB2) 2.687 0.866 0.866 ! spec=13C NOESY, no=2751, id=4151
! violated assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    4 and name  HB1) 2.519 0.762 0.762 ! spec=13C NOESY, no=2752, id=4152
! violated assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB2) 2.519 0.762 0.762 ! spec=13C NOESY, no=2752, id=4152
! violated assign (segid "    " and resid   25 and name   HB) (segid "    " and resid   26 and name   HA) 2.519 0.762 0.762 ! spec=13C NOESY, no=2752, id=4152
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   91 and name  HB2) 2.519 0.762 0.762 ! spec=13C NOESY, no=2752, id=4152
! violated assign (segid "    " and resid   91 and name  HB2) (segid "    " and resid   88 and name   HA) 2.519 0.762 0.762 ! spec=13C NOESY, no=2752, id=4152
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.405 0.694 0.694 ! spec=13C NOESY, no=2753, id=4153
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   36 and name   HA) 2.405 0.694 0.694 ! spec=13C NOESY, no=2753, id=4153
! violated assign (segid "    " and resid   91 and name  HB1) (segid "    " and resid   91 and name HE22) 3.008 1.086 1.086 ! spec=13C NOESY, no=2758, id=4158
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   33 and name  HB1) 3.008 1.086 1.086 ! spec=13C NOESY, no=2758, id=4158
! violated assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid  102 and name  HD1) 3.008 1.086 1.086 ! spec=13C NOESY, no=2758, id=4158
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   84 and name   HA) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   84 and name   HA) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   84 and name   HA) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
! violated assign (segid "    " and resid   84 and name   HA) (segid "    " and resid  107 and name HD12) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid  107 and name HD11) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
! violated assign (segid "    " and resid   84 and name   HA) (segid "    " and resid  107 and name HD13) 2.777 2.777 3.223 ! spec=13C NOESY, no=2774, id=4174
! violated assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   85 and name  HA1) 3.125 1.172 1.172 ! spec=13C NOESY, no=2775, id=4175
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   84 and name   HA) 3.125 1.172 1.172 ! spec=13C NOESY, no=2775, id=4175
! violated assign (segid "    " and resid   53 and name   HB) (segid "    " and resid  129 and name  HB2) 3.261 1.276 1.276 ! spec=13C NOESY, no=2785, id=4184
! violated assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid  129 and name  HB2) 3.261 1.276 1.276 ! spec=13C NOESY, no=2785, id=4184
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  129 and name  HB2) 2.952 1.045 1.045 ! spec=13C NOESY, no=2787, id=4186
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  129 and name  HB2) 2.952 1.045 1.045 ! spec=13C NOESY, no=2787, id=4186
assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  129 and name  HB2) 2.952 1.045 1.045 ! spec=13C NOESY, no=2787, id=4186
! violated assign (segid "    " and resid  129 and name  HB2) (segid "    " and resid  131 and name HG11) 2.952 1.045 1.045 ! spec=13C NOESY, no=2787, id=4186
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HB2) 3.000 1.080 1.080 ! spec=13C NOESY, no=2791, id=4190
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  122 and name  HB2) 3.000 1.080 1.080 ! spec=13C NOESY, no=2791, id=4190
! violated assign (segid "    " and resid   10 and name   HB) (segid "    " and resid   10 and name   HA) 2.111 0.535 0.535 ! spec=13C NOESY, no=2798, id=4197
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   13 and name  HB2) 2.111 0.535 0.535 ! spec=13C NOESY, no=2798, id=4197
! violated assign (segid "    " and resid   10 and name HG12) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   10 and name HG11) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
! violated assign (segid "    " and resid   10 and name HG13) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
! violated assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
! violated assign (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HA) 1.996 0.478 0.478 ! spec=13C NOESY, no=2802, id=4201
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   30 and name   HN) 3.014 1.090 1.090 ! spec=13C NOESY, no=2804, id=4203
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   31 and name   HN) 3.014 1.090 1.090 ! spec=13C NOESY, no=2804, id=4203
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name   HA) 2.701 0.875 0.875 ! spec=13C NOESY, no=2806, id=4205
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name   HA) 2.701 0.875 0.875 ! spec=13C NOESY, no=2806, id=4205
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
! violated assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   29 and name   HA) 3.021 3.021 2.979 ! spec=13C NOESY, no=2810, id=4209
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HB1) 2.914 1.019 1.019 ! spec=13C NOESY, no=2813, id=4212
! violated assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  122 and name  HB2) 2.914 1.019 1.019 ! spec=13C NOESY, no=2813, id=4212
! violated assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   59 and name   HA) 2.527 2.527 3.473 ! spec=13C NOESY, no=2820, id=4219
! violated assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   66 and name   HA) 2.527 2.527 3.473 ! spec=13C NOESY, no=2820, id=4219
! violated assign (segid "    " and resid  132 and name  HB2) (segid "    " and resid   50 and name   HA) 2.527 2.527 3.473 ! spec=13C NOESY, no=2820, id=4219
! violated assign (segid "    " and resid  132 and name  HB1) (segid "    " and resid   75 and name   HA) 2.527 2.527 3.473 ! spec=13C NOESY, no=2820, id=4219
! violated assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   58 and name  HB2) 2.851 0.975 0.975 ! spec=13C NOESY, no=2821, id=4220
! violated assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  132 and name  HB2) 2.851 0.975 0.975 ! spec=13C NOESY, no=2821, id=4220
assign (segid "    " and resid  131 and name   HB) (segid "    " and resid  132 and name  HB1) 2.851 0.975 0.975 ! spec=13C NOESY, no=2821, id=4220
! violated assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   63 and name   HA) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   63 and name   HA) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   63 and name   HA) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  132 and name  HB2) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  132 and name  HB2) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  132 and name  HB2) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG21) (segid "    " and resid  132 and name  HB1) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG22) (segid "    " and resid  132 and name  HB1) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
! violated assign (segid "    " and resid   52 and name HG23) (segid "    " and resid  132 and name  HB1) 3.091 1.146 1.146 ! spec=13C NOESY, no=2822, id=4221
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  132 and name  HB2) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  132 and name  HB2) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  132 and name  HB2) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  132 and name  HB1) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  132 and name  HB1) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  132 and name  HB1) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   63 and name   HA) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid   63 and name   HA) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid   63 and name   HA) 2.424 2.424 3.576 ! spec=13C NOESY, no=2823, id=4222
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name  HB2) 2.790 0.934 0.934 ! spec=13C NOESY, no=2824, id=4223
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid  132 and name  HB1) 2.790 0.934 0.934 ! spec=13C NOESY, no=2824, id=4223
! violated assign (segid "    " and resid  132 and name  HB2) (segid "    " and resid  133 and name   HB) 3.128 1.174 1.174 ! spec=13C NOESY, no=2825, id=4224
! violated assign (segid "    " and resid  134 and name  HB1) (segid "    " and resid  132 and name  HB2) 3.128 1.174 1.174 ! spec=13C NOESY, no=2825, id=4224
! violated assign (segid "    " and resid  132 and name  HB2) (segid "    " and resid  134 and name  HD2) 3.128 1.174 1.174 ! spec=13C NOESY, no=2825, id=4224
! violated assign (segid "    " and resid  132 and name  HB1) (segid "    " and resid  133 and name   HB) 3.128 1.174 1.174 ! spec=13C NOESY, no=2825, id=4224
! violated assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid  127 and name  HD2) 3.128 1.174 1.174 ! spec=13C NOESY, no=2825, id=4224
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  132 and name  HB2) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  132 and name  HB2) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  132 and name  HB2) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  132 and name  HB1) 2.370 2.370 3.630 ! spec=13C NOESY, no=2827, id=4226
assign (segid "    " and resid   78 and name  HG2) (segid "    " and resid   78 and name  HB2) 2.304 0.637 0.637 ! spec=13C NOESY, no=2831, id=4230
assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   78 and name  HB2) 2.304 0.637 0.637 ! spec=13C NOESY, no=2831, id=4230
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name  HB1) 2.796 0.938 0.938 ! spec=13C NOESY, no=2844, id=4243
assign (segid "    " and resid   67 and name  HB1) (segid "    " and resid   57 and name   HN) 2.796 0.938 0.938 ! spec=13C NOESY, no=2844, id=4243
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   63 and name   HN) 2.576 0.797 0.797 ! spec=13C NOESY, no=2853, id=4252
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB2) 2.576 0.797 0.797 ! spec=13C NOESY, no=2853, id=4252
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   59 and name  HB2) 2.498 2.498 3.502 ! spec=13C NOESY, no=2854, id=4253
assign (segid "    " and resid   64 and name   HB) (segid "    " and resid   63 and name   HA) 2.498 2.498 3.502 ! spec=13C NOESY, no=2854, id=4253
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG22) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG21) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG23) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
assign (segid "    " and resid   64 and name HG22) (segid "    " and resid   63 and name   HA) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
assign (segid "    " and resid   64 and name HG21) (segid "    " and resid   63 and name   HA) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
assign (segid "    " and resid   64 and name HG23) (segid "    " and resid   63 and name   HA) 2.328 2.328 3.672 ! spec=13C NOESY, no=2856, id=4255
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HB1) 3.178 1.212 1.212 ! spec=13C NOESY, no=2863, id=4262
! violated assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name HD22) 3.178 1.212 1.212 ! spec=13C NOESY, no=2863, id=4262
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    9 and name   HN) 3.098 1.151 1.151 ! spec=13C NOESY, no=2867, id=4266
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name  HB1) 3.098 1.151 1.151 ! spec=13C NOESY, no=2867, id=4266
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB1) 2.459 0.726 0.726 ! spec=13C NOESY, no=2868, id=4267
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB1) 2.459 0.726 0.726 ! spec=13C NOESY, no=2868, id=4267
! violated assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   69 and name  HB1) 3.114 1.164 1.164 ! spec=13C NOESY, no=2870, id=4269
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HB1) 3.114 1.164 1.164 ! spec=13C NOESY, no=2870, id=4269
! violated assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    8 and name HD22) 3.114 1.164 1.164 ! spec=13C NOESY, no=2870, id=4269
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HB2) 3.032 1.103 1.103 ! spec=13C NOESY, no=2871, id=4270
! violated assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    7 and name  HB1) 3.032 1.103 1.103 ! spec=13C NOESY, no=2871, id=4270
assign (segid "    " and resid   68 and name   HB) (segid "    " and resid   69 and name  HB1) 3.032 1.103 1.103 ! spec=13C NOESY, no=2871, id=4270
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB1) 2.188 0.575 0.575 ! spec=13C NOESY, no=2872, id=4271
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HB2) 2.188 0.575 0.575 ! spec=13C NOESY, no=2872, id=4271
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.188 0.575 0.575 ! spec=13C NOESY, no=2872, id=4271
! violated assign (segid "    " and resid   11 and name  HE2) (segid "    " and resid    7 and name  HB2) 2.780 0.927 0.927 ! spec=13C NOESY, no=2873, id=4272
! violated assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid  129 and name  HB2) 2.780 0.927 0.927 ! spec=13C NOESY, no=2873, id=4272
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    7 and name  HB2) 2.231 0.597 0.597 ! spec=13C NOESY, no=2874, id=4273
assign (segid "    " and resid   78 and name  HG1) (segid "    " and resid   78 and name  HB1) 2.231 0.597 0.597 ! spec=13C NOESY, no=2874, id=4273
assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   78 and name  HB1) 2.231 0.597 0.597 ! spec=13C NOESY, no=2874, id=4273
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid  128 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=2880, id=4279
assign (segid "    " and resid   78 and name  HB1) (segid "    " and resid   50 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=2880, id=4279
assign (segid "    " and resid   78 and name  HB1) (segid "    " and resid   77 and name   HA) 2.537 2.537 3.463 ! spec=13C NOESY, no=2880, id=4279
! violated assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid   56 and name   HN) 2.614 0.820 0.820 ! spec=13C NOESY, no=2882, id=4281
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB2) 2.614 0.820 0.820 ! spec=13C NOESY, no=2882, id=4281
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name  HB2) 3.142 1.185 1.185 ! spec=13C NOESY, no=2884, id=4283
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name  HB2) 3.142 1.185 1.185 ! spec=13C NOESY, no=2884, id=4283
! violated assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   20 and name  HD2) 2.684 0.864 0.864 ! spec=13C NOESY, no=2888, id=4287
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   20 and name  HD2) 2.684 0.864 0.864 ! spec=13C NOESY, no=2888, id=4287
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   20 and name  HD2) 2.366 0.672 0.672 ! spec=13C NOESY, no=2889, id=4288
! violated assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   91 and name HE22) 2.366 0.672 0.672 ! spec=13C NOESY, no=2889, id=4288
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   35 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   35 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
! violated assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   35 and name  HD2) 2.143 2.143 3.857 ! spec=13C NOESY, no=2891, id=4290
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HD12) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HD11) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HD13) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
! violated assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HG22) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HG21) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  125 and name HG23) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   25 and name HG22) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   25 and name HG21) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   25 and name HG23) 2.437 2.437 3.563 ! spec=13C NOESY, no=2893, id=4292
! violated assign (segid "    " and resid   97 and name  HB1) (segid "    " and resid   93 and name  HG1) 2.342 0.658 0.658 ! spec=13C NOESY, no=2900, id=4299
assign (segid "    " and resid   97 and name  HB1) (segid "    " and resid   94 and name  HB2) 2.342 0.658 0.658 ! spec=13C NOESY, no=2900, id=4299
assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   67 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   67 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   67 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   97 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   97 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
! violated assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   97 and name  HB1) 2.517 2.517 3.483 ! spec=13C NOESY, no=2901, id=4300
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   36 and name   HA) 3.094 1.149 1.149 ! spec=13C NOESY, no=2902, id=4301
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   57 and name   HN) 3.094 1.149 1.149 ! spec=13C NOESY, no=2902, id=4301
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB2) 2.487 2.487 3.513 ! spec=13C NOESY, no=2904, id=4303
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   67 and name  HB2) 2.487 2.487 3.513 ! spec=13C NOESY, no=2904, id=4303
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.238 0.601 0.601 ! spec=13C NOESY, no=2914, id=4313
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB1) 2.238 0.601 0.601 ! spec=13C NOESY, no=2914, id=4313
! violated assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   69 and name  HB1) 3.008 1.086 1.086 ! spec=13C NOESY, no=2915, id=4314
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   88 and name  HB2) 3.008 1.086 1.086 ! spec=13C NOESY, no=2915, id=4314
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   88 and name  HB2) 3.008 1.086 1.086 ! spec=13C NOESY, no=2915, id=4314
! violated assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   88 and name  HB2) 3.008 1.086 1.086 ! spec=13C NOESY, no=2915, id=4314
! violated assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid  128 and name   HA) 2.705 2.705 3.295 ! spec=13C NOESY, no=2918, id=4317
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   56 and name   HA) 2.705 2.705 3.295 ! spec=13C NOESY, no=2918, id=4317
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid  128 and name   HA) 2.705 2.705 3.295 ! spec=13C NOESY, no=2918, id=4317
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HD2) 2.920 1.023 1.023 ! spec=13C NOESY, no=2921, id=4320
assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid  127 and name   HN) 2.920 1.023 1.023 ! spec=13C NOESY, no=2921, id=4320
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HD2) 2.725 0.891 0.891 ! spec=13C NOESY, no=2922, id=4321
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name  HD2) 2.725 0.891 0.891 ! spec=13C NOESY, no=2922, id=4321
assign (segid "    " and resid   20 and name  HD2) (segid "    " and resid   17 and name   HA) 2.329 0.651 0.651 ! spec=13C NOESY, no=2927, id=4326
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HD2) 2.329 0.651 0.651 ! spec=13C NOESY, no=2927, id=4326
! violated assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid   56 and name   HB) 2.609 0.817 0.817 ! spec=13C NOESY, no=2928, id=4327
! violated assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   80 and name  HB2) 2.609 0.817 0.817 ! spec=13C NOESY, no=2928, id=4327
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid   48 and name   HA) 2.125 2.125 3.875 ! spec=13C NOESY, no=2929, id=4328
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   48 and name   HA) 2.125 2.125 3.875 ! spec=13C NOESY, no=2929, id=4328
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   50 and name   HA) 2.125 2.125 3.875 ! spec=13C NOESY, no=2929, id=4328
! violated assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid   56 and name   HA) 2.125 2.125 3.875 ! spec=13C NOESY, no=2929, id=4328
! violated assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   36 and name   HA) 2.413 0.699 0.699 ! spec=13C NOESY, no=2930, id=4329
! violated assign (segid "    " and resid   46 and name  HA1) (segid "    " and resid   47 and name  HD2) 2.413 0.699 0.699 ! spec=13C NOESY, no=2930, id=4329
! violated assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HD2) 2.413 0.699 0.699 ! spec=13C NOESY, no=2930, id=4329
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid   44 and name  HD1) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
! violated assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   44 and name  HD1) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
! violated assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HD2) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD2) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
! violated assign (segid "    " and resid   20 and name  HE2) (segid "    " and resid   20 and name  HD2) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
! violated assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid   35 and name  HD2) 1.679 0.338 0.338 ! spec=13C NOESY, no=2931, id=4330
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid  117 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=2933, id=4332
assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  123 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=2933, id=4332
assign (segid "    " and resid  104 and name  HB1) (segid "    " and resid  123 and name   HA) 3.121 3.121 2.879 ! spec=13C NOESY, no=2933, id=4332
! violated assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   36 and name   HA) 3.272 1.284 1.284 ! spec=13C NOESY, no=2940, id=4339
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   36 and name   HA) 3.272 1.284 1.284 ! spec=13C NOESY, no=2940, id=4339
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   99 and name  HB2) 3.272 1.284 1.284 ! spec=13C NOESY, no=2940, id=4339
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   18 and name  HB2) 2.928 1.029 1.029 ! spec=13C NOESY, no=2944, id=4343
! violated assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   21 and name   HN) 2.928 1.029 1.029 ! spec=13C NOESY, no=2944, id=4343
! violated assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   55 and name  HD1) 2.928 1.029 1.029 ! spec=13C NOESY, no=2944, id=4343
! violated assign (segid "    " and resid   88 and name  HB2) (segid "    " and resid   91 and name HE22) 2.928 1.029 1.029 ! spec=13C NOESY, no=2944, id=4343
! violated assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   15 and name   HA) 2.442 0.716 0.716 ! spec=13C NOESY, no=2946, id=4345
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   15 and name   HA) 2.442 0.716 0.716 ! spec=13C NOESY, no=2946, id=4345
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.092 0.525 0.525 ! spec=13C NOESY, no=2947, id=4346
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.092 0.525 0.525 ! spec=13C NOESY, no=2947, id=4346
! violated assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   17 and name HG21) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   17 and name HG22) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   17 and name HG23) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid  127 and name  HG2) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid  127 and name  HG2) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   88 and name  HB2) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   88 and name  HB2) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   88 and name  HB2) 2.743 0.903 0.903 ! spec=13C NOESY, no=2948, id=4347
! violated assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   18 and name  HB2) 1.885 0.426 0.426 ! spec=13C NOESY, no=2951, id=4350
! violated assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB2) 1.885 0.426 0.426 ! spec=13C NOESY, no=2951, id=4350
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   69 and name  HB1) 1.885 0.426 0.426 ! spec=13C NOESY, no=2951, id=4350
assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name  HB1) 1.885 0.426 0.426 ! spec=13C NOESY, no=2951, id=4350
assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name  HB1) 1.568 0.295 0.295 ! spec=13C NOESY, no=2952, id=4351
assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name  HB1) 1.568 0.295 0.295 ! spec=13C NOESY, no=2952, id=4351
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name  HB1) 1.568 0.295 0.295 ! spec=13C NOESY, no=2952, id=4351
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HG2) 2.249 0.607 0.607 ! spec=13C NOESY, no=2954, id=4353
assign (segid "    " and resid   70 and name  HD2) (segid "    " and resid   70 and name   HA) 2.249 0.607 0.607 ! spec=13C NOESY, no=2954, id=4353
! violated assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name  HD2) 1.653 0.328 0.328 ! spec=13C NOESY, no=2955, id=4354
! violated assign (segid "    " and resid   70 and name  HG2) (segid "    " and resid   70 and name  HD2) 1.653 0.328 0.328 ! spec=13C NOESY, no=2955, id=4354
! violated assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HD2) 1.653 0.328 0.328 ! spec=13C NOESY, no=2955, id=4354
! violated assign (segid "    " and resid    9 and name  HG2) (segid "    " and resid    9 and name  HD2) 1.653 0.328 0.328 ! spec=13C NOESY, no=2955, id=4354
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD2) 1.808 0.392 0.392 ! spec=13C NOESY, no=2957, id=4356
! violated assign (segid "    " and resid    9 and name  HE2) (segid "    " and resid    9 and name  HD2) 1.808 0.392 0.392 ! spec=13C NOESY, no=2957, id=4356
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HD2) 1.808 0.392 0.392 ! spec=13C NOESY, no=2957, id=4356
! violated assign (segid "    " and resid   70 and name  HE2) (segid "    " and resid   70 and name  HD2) 1.808 0.392 0.392 ! spec=13C NOESY, no=2957, id=4356
assign (segid "    " and resid   73 and name  HE2) (segid "    " and resid   73 and name  HD2) 1.808 0.392 0.392 ! spec=13C NOESY, no=2957, id=4356
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HD2) 2.838 0.966 0.966 ! spec=13C NOESY, no=2959, id=4358
! violated assign (segid "    " and resid  127 and name  HD2) (segid "    " and resid   56 and name   HN) 2.838 0.966 0.966 ! spec=13C NOESY, no=2959, id=4358
assign (segid "    " and resid  134 and name  HD2) (segid "    " and resid  135 and name   HN) 2.838 0.966 0.966 ! spec=13C NOESY, no=2959, id=4358
! violated assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   42 and name  HA2) 3.239 1.259 1.259 ! spec=13C NOESY, no=2964, id=4363
! violated assign (segid "    " and resid   91 and name   HA) (segid "    " and resid   44 and name  HD2) 3.239 1.259 1.259 ! spec=13C NOESY, no=2964, id=4363
! violated assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   94 and name  HD1) 3.239 1.259 1.259 ! spec=13C NOESY, no=2964, id=4363
assign (segid "    " and resid   45 and name  HD1) (segid "    " and resid   44 and name  HD2) 2.691 2.691 3.309 ! spec=13C NOESY, no=2965, id=4364
assign (segid "    " and resid   44 and name  HD2) (segid "    " and resid   92 and name   HA) 2.691 2.691 3.309 ! spec=13C NOESY, no=2965, id=4364
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  117 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  117 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  117 and name   HA) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid  117 and name   HA) (segid "    " and resid  118 and name HG11) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid  123 and name   HA) (segid "    " and resid   60 and name HG22) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid  123 and name   HA) (segid "    " and resid   60 and name HG21) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
! violated assign (segid "    " and resid  123 and name   HA) (segid "    " and resid   60 and name HG23) 2.967 1.057 1.057 ! spec=13C NOESY, no=2972, id=4370
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  111 and name   HA) 3.103 1.156 1.156 ! spec=13C NOESY, no=2973, id=4371
! violated assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   68 and name   HA) 3.103 1.156 1.156 ! spec=13C NOESY, no=2973, id=4371
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   56 and name   HA) 2.438 2.438 3.562 ! spec=13C NOESY, no=2978, id=4376
! violated assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   66 and name   HA) 2.438 2.438 3.562 ! spec=13C NOESY, no=2978, id=4376
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name   HA) 2.389 2.389 3.611 ! spec=13C NOESY, no=2985, id=4383
assign (segid "    " and resid   24 and name  HA1) (segid "    " and resid   23 and name   HA) 2.389 2.389 3.611 ! spec=13C NOESY, no=2985, id=4383
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB2) 2.406 0.695 0.695 ! spec=13C NOESY, no=2987, id=4385
assign (segid "    " and resid  113 and name  HB2) (segid "    " and resid  113 and name   HN) 2.406 0.695 0.695 ! spec=13C NOESY, no=2987, id=4385
! violated assign (segid "    " and resid  113 and name  HB1) (segid "    " and resid  113 and name   HN) 2.406 0.695 0.695 ! spec=13C NOESY, no=2987, id=4385
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   41 and name   HA) 2.693 2.693 3.307 ! spec=13C NOESY, no=2988, id=4386
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   38 and name   HA) 2.693 2.693 3.307 ! spec=13C NOESY, no=2988, id=4386
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   39 and name  HB1) 3.109 3.109 2.891 ! spec=13C NOESY, no=2991, id=4389
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   46 and name   HN) 3.109 3.109 2.891 ! spec=13C NOESY, no=2991, id=4389
! violated assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   46 and name   HN) 3.109 3.109 2.891 ! spec=13C NOESY, no=2991, id=4389
! violated assign (segid "    " and resid  136 and name  HB2) (segid "    " and resid   46 and name   HN) 3.109 3.109 2.891 ! spec=13C NOESY, no=2991, id=4389
assign (segid "    " and resid  136 and name  HB1) (segid "    " and resid   46 and name   HN) 3.109 3.109 2.891 ! spec=13C NOESY, no=2991, id=4389
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name  HB2) 2.590 0.805 0.805 ! spec=13C NOESY, no=2998, id=4396
! violated assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name   HN) 2.590 0.805 0.805 ! spec=13C NOESY, no=2998, id=4396
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  113 and name  HB1) 2.590 0.805 0.805 ! spec=13C NOESY, no=2998, id=4396
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   39 and name   HA) 1.782 0.381 0.381 ! spec=13C NOESY, no=3000, id=4398
! violated assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name   HA) 1.782 0.381 0.381 ! spec=13C NOESY, no=3000, id=4398
! violated assign (segid "    " and resid  113 and name  HB2) (segid "    " and resid  113 and name   HA) 1.782 0.381 0.381 ! spec=13C NOESY, no=3000, id=4398
assign (segid "    " and resid  113 and name  HB1) (segid "    " and resid  113 and name   HA) 1.782 0.381 0.381 ! spec=13C NOESY, no=3000, id=4398
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG22) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG21) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   36 and name HG23) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid   36 and name HG22) (segid "    " and resid   39 and name  HB1) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid   36 and name HG21) (segid "    " and resid   39 and name  HB1) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid   36 and name HG23) (segid "    " and resid   39 and name  HB1) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid  113 and name  HB1) (segid "    " and resid  118 and name HG22) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid  113 and name  HB1) (segid "    " and resid  118 and name HG21) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
assign (segid "    " and resid  113 and name  HB1) (segid "    " and resid  118 and name HG23) 2.244 2.244 3.756 ! spec=13C NOESY, no=3002, id=4400
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  113 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  113 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  113 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid  114 and name HG12) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid  114 and name HG11) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid  114 and name HG13) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid  114 and name HG22) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid  114 and name HG21) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
assign (segid "    " and resid  114 and name HG23) (segid "    " and resid  113 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   39 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   39 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   39 and name  HB2) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
assign (segid "    " and resid   36 and name HG12) (segid "    " and resid   39 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
assign (segid "    " and resid   36 and name HG11) (segid "    " and resid   39 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid   36 and name HG13) (segid "    " and resid   39 and name  HB1) 2.871 2.871 3.129 ! spec=13C NOESY, no=3003, id=4401
! violated assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   35 and name   HA) 2.972 1.060 1.060 ! spec=13C NOESY, no=3005, id=4403
! violated assign (segid "    " and resid  131 and name   HA) (segid "    " and resid  132 and name   HA) 2.972 1.060 1.060 ! spec=13C NOESY, no=3005, id=4403
assign (segid "    " and resid  117 and name   HA) (segid "    " and resid  117 and name  HD1) 2.492 0.745 0.745 ! spec=13C NOESY, no=3021, id=4418
! violated assign (segid "    " and resid  111 and name   HA) (segid "    " and resid  105 and name  HB1) 2.492 0.745 0.745 ! spec=13C NOESY, no=3021, id=4418
assign (segid "    " and resid  111 and name  HB2) (segid "    " and resid  111 and name   HA) 1.993 0.476 0.476 ! spec=13C NOESY, no=3022, id=4419
assign (segid "    " and resid  117 and name  HB1) (segid "    " and resid  117 and name   HA) 1.993 0.476 0.476 ! spec=13C NOESY, no=3022, id=4419
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  117 and name   HA) 2.913 2.913 3.087 ! spec=13C NOESY, no=3024, id=4421
assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  117 and name   HA) 2.913 2.913 3.087 ! spec=13C NOESY, no=3024, id=4421
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  117 and name   HA) 2.913 2.913 3.087 ! spec=13C NOESY, no=3024, id=4421
assign (segid "    " and resid  117 and name   HA) (segid "    " and resid  118 and name HG11) 2.913 2.913 3.087 ! spec=13C NOESY, no=3024, id=4421
assign (segid "    " and resid  121 and name   HA) (segid "    " and resid  111 and name   HA) 2.669 0.855 0.855 ! spec=13C NOESY, no=3027, id=4424
! violated assign (segid "    " and resid  111 and name   HA) (segid "    " and resid  106 and name  HA1) 2.669 0.855 0.855 ! spec=13C NOESY, no=3027, id=4424
assign (segid "    " and resid  111 and name   HA) (segid "    " and resid  112 and name   HN) 2.633 0.832 0.832 ! spec=13C NOESY, no=3031, id=4428
! violated assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   68 and name   HA) 2.633 0.832 0.832 ! spec=13C NOESY, no=3031, id=4428
! violated assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   33 and name  HB2) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   25 and name   HA) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   30 and name  HB2) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
! violated assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   30 and name  HB1) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name  HB1) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name  HB1) 2.875 0.992 0.992 ! spec=13C NOESY, no=3036, id=4433
! violated assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   30 and name  HB2) 3.028 1.100 1.100 ! spec=13C NOESY, no=3039, id=4436
! violated assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   30 and name  HB1) 3.028 1.100 1.100 ! spec=13C NOESY, no=3039, id=4436
! violated assign (segid "    " and resid   81 and name  HG2) (segid "    " and resid   80 and name  HB2) 3.028 1.100 1.100 ! spec=13C NOESY, no=3039, id=4436
assign (segid "    " and resid   71 and name   HB) (segid "    " and resid   73 and name  HD2) 2.303 0.637 0.637 ! spec=13C NOESY, no=3048, id=4444
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HG2) 2.303 0.637 0.637 ! spec=13C NOESY, no=3048, id=4444
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HD2) 2.303 0.637 0.637 ! spec=13C NOESY, no=3048, id=4444
! violated assign (segid "    " and resid   79 and name   HB) (segid "    " and resid   80 and name  HB1) 3.207 1.234 1.234 ! spec=13C NOESY, no=3049, id=4445
assign (segid "    " and resid   80 and name  HB1) (segid "    " and resid   81 and name  HG2) 3.207 1.234 1.234 ! spec=13C NOESY, no=3049, id=4445
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HB2) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HB2) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HB2) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
! violated assign (segid "    " and resid   86 and name  HB2) (segid "    " and resid   90 and name HD12) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
! violated assign (segid "    " and resid   86 and name  HB2) (segid "    " and resid   90 and name HD11) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
! violated assign (segid "    " and resid   86 and name  HB2) (segid "    " and resid   90 and name HD13) 2.863 0.984 0.984 ! spec=13C NOESY, no=3063, id=4449
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   94 and name  HG2) 3.095 1.149 1.149 ! spec=13C NOESY, no=3066, id=4452
assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   42 and name   HN) 3.095 1.149 1.149 ! spec=13C NOESY, no=3066, id=4452
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HD2) 2.991 1.074 1.074 ! spec=13C NOESY, no=3068, id=4454
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    4 and name  HD2) 2.991 1.074 1.074 ! spec=13C NOESY, no=3068, id=4454
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   59 and name HD13) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  118 and name HG21) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  118 and name HG23) (segid "    " and resid    4 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   16 and name HD12) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   16 and name HD11) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   16 and name HD13) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   70 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   70 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   70 and name  HD2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   36 and name HG22) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   36 and name HG21) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   36 and name HG23) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   43 and name HG22) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   43 and name HG23) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   92 and name HD12) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   92 and name HD11) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   92 and name HD13) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   92 and name HD22) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   92 and name HD21) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   92 and name HD23) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   94 and name  HG2) 2.582 2.582 3.418 ! spec=13C NOESY, no=3070, id=4456
! violated assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name   HN) 3.163 1.200 1.200 ! spec=13C NOESY, no=3071, id=4457
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    5 and name   HN) 3.163 1.200 1.200 ! spec=13C NOESY, no=3071, id=4457
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HE1) 1.988 0.474 0.474 ! spec=13C NOESY, no=3077, id=4463
assign (segid "    " and resid  135 and name  HE2) (segid "    " and resid  135 and name  HD2) 1.988 0.474 0.474 ! spec=13C NOESY, no=3077, id=4463
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  100 and name  HB2) 2.057 2.057 3.943 ! spec=13C NOESY, no=3079, id=4465
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  100 and name  HG2) 2.057 2.057 3.943 ! spec=13C NOESY, no=3079, id=4465
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HG12) 2.953 1.046 1.046 ! spec=13C NOESY, no=3082, id=4468
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name   HG) 2.953 1.046 1.046 ! spec=13C NOESY, no=3082, id=4468
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name   HG) 2.953 1.046 1.046 ! spec=13C NOESY, no=3082, id=4468
assign (segid "    " and resid   80 and name  HB1) (segid "    " and resid   80 and name  HB2) 2.051 0.505 0.505 ! spec=13C NOESY, no=3089, id=4475
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HB1) 2.051 0.505 0.505 ! spec=13C NOESY, no=3089, id=4475
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HB1) 2.051 0.505 0.505 ! spec=13C NOESY, no=3089, id=4475
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD12) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD11) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD13) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD12) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD11) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD13) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   37 and name   HA) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   37 and name   HA) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   37 and name   HA) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   37 and name   HA) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   80 and name  HB1) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   80 and name  HB1) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   80 and name  HB1) 2.984 2.984 3.016 ! spec=13C NOESY, no=3090, id=4476
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD12) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD11) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD13) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD12) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD11) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD13) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD22) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD21) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   32 and name HD23) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD22) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD21) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   32 and name HD23) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   79 and name HG22) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   79 and name HG21) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   79 and name HG23) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
! violated assign (segid "    " and resid   87 and name HG21) (segid "    " and resid   80 and name  HB2) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   87 and name HG22) (segid "    " and resid   80 and name  HB2) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   87 and name HG23) (segid "    " and resid   80 and name  HB2) 3.058 3.058 2.942 ! spec=13C NOESY, no=3093, id=4479
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   94 and name  HG2) 2.592 0.806 0.806 ! spec=13C NOESY, no=3097, id=4483
! violated assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid  120 and name  HD1) 2.592 0.806 0.806 ! spec=13C NOESY, no=3097, id=4483
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  102 and name   HA) 2.751 0.908 0.908 ! spec=13C NOESY, no=3102, id=4488
assign (segid "    " and resid  125 and name HG11) (segid "    " and resid  125 and name   HA) 2.751 0.908 0.908 ! spec=13C NOESY, no=3102, id=4488
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HG12) 3.043 1.111 1.111 ! spec=13C NOESY, no=3105, id=4491
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name   HG) 3.043 1.111 1.111 ! spec=13C NOESY, no=3105, id=4491
! violated assign (segid "    " and resid  130 and name   HG) (segid "    " and resid  129 and name  HB1) 2.718 2.718 3.282 ! spec=13C NOESY, no=3109, id=4495
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid  125 and name HG12) 2.718 2.718 3.282 ! spec=13C NOESY, no=3109, id=4495
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   55 and name  HB2) 2.718 2.718 3.282 ! spec=13C NOESY, no=3109, id=4495
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   60 and name   HA) 2.718 2.718 3.282 ! spec=13C NOESY, no=3109, id=4495
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name   HG) 3.069 1.130 1.130 ! spec=13C NOESY, no=3110, id=4496
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name   HG) 3.069 1.130 1.130 ! spec=13C NOESY, no=3110, id=4496
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid  107 and name HD12) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
! violated assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid  107 and name HD11) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid  107 and name HD13) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
! violated assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid  107 and name HD12) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid  107 and name HD11) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid  107 and name HD13) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   37 and name   HA) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HA) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   37 and name   HA) 2.581 0.799 0.799 ! spec=13C NOESY, no=3113, id=4499
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  105 and name   HA) 2.813 0.950 0.950 ! spec=13C NOESY, no=3114, id=4500
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name   HA) 2.813 0.950 0.950 ! spec=13C NOESY, no=3114, id=4500
assign (segid "    " and resid   80 and name  HB1) (segid "    " and resid   78 and name HE22) 3.071 1.132 1.132 ! spec=13C NOESY, no=3115, id=4501
assign (segid "    " and resid   80 and name  HB1) (segid "    " and resid   81 and name HE22) 3.071 1.132 1.132 ! spec=13C NOESY, no=3115, id=4501
assign (segid "    " and resid   84 and name  HD2) (segid "    " and resid   84 and name  HG2) 2.206 0.584 0.584 ! spec=13C NOESY, no=3119, id=4505
! violated assign (segid "    " and resid  104 and name  HG1) (segid "    " and resid   31 and name  HA1) 2.206 0.584 0.584 ! spec=13C NOESY, no=3119, id=4505
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HG2) 2.206 0.584 0.584 ! spec=13C NOESY, no=3119, id=4505
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  104 and name  HG2) 2.543 0.776 0.776 ! spec=13C NOESY, no=3120, id=4506
assign (segid "    " and resid  104 and name  HG1) (segid "    " and resid  104 and name  HD1) 2.543 0.776 0.776 ! spec=13C NOESY, no=3120, id=4506
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   16 and name   HG) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
assign (segid "    " and resid   16 and name HD21) (segid "    " and resid   16 and name   HG) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
assign (segid "    " and resid   16 and name HD23) (segid "    " and resid   16 and name   HG) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid  104 and name  HG2) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid  104 and name  HG2) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid  104 and name  HG2) 2.417 0.701 0.701 ! spec=13C NOESY, no=3121, id=4507
assign (segid "    " and resid   90 and name   HA) (segid "    " and resid   90 and name   HG) 2.714 0.884 0.884 ! spec=13C NOESY, no=3123, id=4509
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid  104 and name  HG2) 2.714 0.884 0.884 ! spec=13C NOESY, no=3123, id=4509
assign (segid "    " and resid   90 and name  HB2) (segid "    " and resid   90 and name   HG) 2.406 0.695 0.695 ! spec=13C NOESY, no=3125, id=4511
! violated assign (segid "    " and resid   16 and name HD22) (segid "    " and resid  104 and name  HG2) 2.406 0.695 0.695 ! spec=13C NOESY, no=3125, id=4511
! violated assign (segid "    " and resid   16 and name HD21) (segid "    " and resid  104 and name  HG2) 2.406 0.695 0.695 ! spec=13C NOESY, no=3125, id=4511
! violated assign (segid "    " and resid   16 and name HD23) (segid "    " and resid  104 and name  HG2) 2.406 0.695 0.695 ! spec=13C NOESY, no=3125, id=4511
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   90 and name   HG) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   90 and name   HG) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   90 and name   HG) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD22) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD21) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD23) 2.433 0.711 0.711 ! spec=13C NOESY, no=3128, id=4514
assign (segid "    " and resid   94 and name  HD1) (segid "    " and resid   94 and name  HG2) 2.560 0.786 0.786 ! spec=13C NOESY, no=3130, id=4516
assign (segid "    " and resid  135 and name   HA) (segid "    " and resid  135 and name  HD2) 2.560 0.786 0.786 ! spec=13C NOESY, no=3130, id=4516
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    5 and name   HA) 2.759 0.913 0.913 ! spec=13C NOESY, no=3131, id=4517
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   86 and name   HA) 2.759 0.913 0.913 ! spec=13C NOESY, no=3131, id=4517
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   94 and name   HA) 2.759 0.913 0.913 ! spec=13C NOESY, no=3131, id=4517
! violated assign (segid "    " and resid  135 and name  HD2) (segid "    " and resid  136 and name  HB2) 2.759 0.913 0.913 ! spec=13C NOESY, no=3131, id=4517
assign (segid "    " and resid  135 and name  HD2) (segid "    " and resid  136 and name  HB1) 2.759 0.913 0.913 ! spec=13C NOESY, no=3131, id=4517
assign (segid "    " and resid   51 and name HG22) (segid "    " and resid   45 and name  HG1) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
! violated assign (segid "    " and resid   51 and name HG21) (segid "    " and resid   45 and name  HG1) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   51 and name HG23) (segid "    " and resid   45 and name  HG1) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD12) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD11) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   90 and name HD13) 2.318 0.645 0.645 ! spec=13C NOESY, no=3132, id=4518
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid   51 and name HG12) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid   51 and name HG11) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid   51 and name HG13) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid  130 and name HD12) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid  130 and name HD11) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
assign (segid "    " and resid   45 and name  HG1) (segid "    " and resid  130 and name HD13) 2.710 2.710 3.290 ! spec=13C NOESY, no=3133, id=4519
! violated assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   44 and name   HA) 3.020 1.094 1.094 ! spec=13C NOESY, no=3134, id=4520
! violated assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   51 and name   HA) 3.020 1.094 1.094 ! spec=13C NOESY, no=3134, id=4520
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   51 and name HG12) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   51 and name HG11) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   51 and name HG13) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid  133 and name HG12) (segid "    " and resid   45 and name  HG2) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid   45 and name  HG2) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid  133 and name HG13) (segid "    " and resid   45 and name  HG2) 2.724 2.724 3.276 ! spec=13C NOESY, no=3137, id=4523
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   45 and name  HG2) 2.602 0.813 0.813 ! spec=13C NOESY, no=3139, id=4525
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   45 and name  HG2) 2.602 0.813 0.813 ! spec=13C NOESY, no=3139, id=4525
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   45 and name  HG2) 2.602 0.813 0.813 ! spec=13C NOESY, no=3139, id=4525
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   90 and name  HB2) 2.602 0.813 0.813 ! spec=13C NOESY, no=3139, id=4525
! violated assign (segid "    " and resid  130 and name   HG) (segid "    " and resid   90 and name   HN) 2.567 2.567 3.433 ! spec=13C NOESY, no=3140, id=4526
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   56 and name   HN) 2.567 2.567 3.433 ! spec=13C NOESY, no=3140, id=4526
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  130 and name   HG) 2.567 2.567 3.433 ! spec=13C NOESY, no=3140, id=4526
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   15 and name   HZ) 2.558 2.558 3.442 ! spec=13C NOESY, no=3141, id=4527
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  102 and name  HE1) 2.558 2.558 3.442 ! spec=13C NOESY, no=3141, id=4527
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   58 and name  HD2) 2.932 2.932 3.068 ! spec=13C NOESY, no=3142, id=4528
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  126 and name  HB1) 2.932 2.932 3.068 ! spec=13C NOESY, no=3142, id=4528
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   73 and name   HA) 2.712 2.712 3.288 ! spec=13C NOESY, no=3149, id=4535
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   75 and name   HA) 2.712 2.712 3.288 ! spec=13C NOESY, no=3149, id=4535
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HA) 2.304 0.637 0.637 ! spec=13C NOESY, no=3153, id=4539
assign (segid "    " and resid   74 and name  HB1) (segid "    " and resid   74 and name   HA) 2.304 0.637 0.637 ! spec=13C NOESY, no=3153, id=4539
! violated assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name  HG2) 2.720 0.888 0.888 ! spec=13C NOESY, no=3155, id=4541
! violated assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   74 and name   HA) 2.720 0.888 0.888 ! spec=13C NOESY, no=3155, id=4541
! violated assign (segid "    " and resid   75 and name  HB1) (segid "    " and resid   74 and name   HA) 2.720 0.888 0.888 ! spec=13C NOESY, no=3155, id=4541
! violated assign (segid "    " and resid   75 and name  HB3) (segid "    " and resid   74 and name   HA) 2.720 0.888 0.888 ! spec=13C NOESY, no=3155, id=4541
assign (segid "    " and resid  105 and name   HA) (segid "    " and resid   16 and name HD12) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid   16 and name HD11) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid   16 and name HD13) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   60 and name HG22) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   60 and name HG23) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   83 and name HG22) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid  105 and name   HA) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  107 and name HD22) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  107 and name HD21) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  107 and name HD23) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
! violated assign (segid "    " and resid  114 and name   HA) (segid "    " and resid  118 and name HG11) 2.724 2.724 3.276 ! spec=13C NOESY, no=3163, id=4549
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HG1) 2.765 0.917 0.917 ! spec=13C NOESY, no=3169, id=4552
! violated assign (segid "    " and resid  108 and name   HA) (segid "    " and resid   84 and name  HG1) 2.765 0.917 0.917 ! spec=13C NOESY, no=3169, id=4552
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HG1) 2.508 0.755 0.755 ! spec=13C NOESY, no=3175, id=4558
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HG1) 2.508 0.755 0.755 ! spec=13C NOESY, no=3175, id=4558
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HG1) 2.318 0.645 0.645 ! spec=13C NOESY, no=3176, id=4559
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HG1) 2.318 0.645 0.645 ! spec=13C NOESY, no=3176, id=4559
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HG2) 2.318 0.645 0.645 ! spec=13C NOESY, no=3176, id=4559
! violated assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   17 and name   HN) 3.220 1.244 1.244 ! spec=13C NOESY, no=3183, id=4566
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HG2) 3.220 1.244 1.244 ! spec=13C NOESY, no=3183, id=4566
assign (segid "    " and resid   94 and name  HG1) (segid "    " and resid   41 and name   HN) 3.220 1.244 1.244 ! spec=13C NOESY, no=3183, id=4566
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HG1) 2.158 0.559 0.559 ! spec=13C NOESY, no=3184, id=4567
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HG2) 2.158 0.559 0.559 ! spec=13C NOESY, no=3184, id=4567
assign (segid "    " and resid   84 and name  HD1) (segid "    " and resid   84 and name  HG2) 2.158 0.559 0.559 ! spec=13C NOESY, no=3184, id=4567
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HG1) 2.270 0.618 0.618 ! spec=13C NOESY, no=3186, id=4569
! violated assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HG1) 2.270 0.618 0.618 ! spec=13C NOESY, no=3186, id=4569
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name  HB1) 2.378 0.678 0.678 ! spec=13C NOESY, no=3187, id=4570
assign (segid "    " and resid   84 and name  HB1) (segid "    " and resid   84 and name  HG2) 2.378 0.678 0.678 ! spec=13C NOESY, no=3187, id=4570
assign (segid "    " and resid   94 and name  HB1) (segid "    " and resid   94 and name  HG1) 2.378 0.678 0.678 ! spec=13C NOESY, no=3187, id=4570
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HG2) 2.929 2.929 3.071 ! spec=13C NOESY, no=3188, id=4571
assign (segid "    " and resid   23 and name  HG1) (segid "    " and resid   24 and name   HN) 2.929 2.929 3.071 ! spec=13C NOESY, no=3188, id=4571
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HG1) 2.414 0.699 0.699 ! spec=13C NOESY, no=3190, id=4573
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HG2) 2.414 0.699 0.699 ! spec=13C NOESY, no=3190, id=4573
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  104 and name  HG1) 2.414 0.699 0.699 ! spec=13C NOESY, no=3190, id=4573
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   23 and name  HG2) 2.290 0.629 0.629 ! spec=13C NOESY, no=3192, id=4575
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   94 and name  HG1) 2.290 0.629 0.629 ! spec=13C NOESY, no=3192, id=4575
! violated assign (segid "    " and resid  104 and name  HG1) (segid "    " and resid   31 and name  HA1) 2.290 0.629 0.629 ! spec=13C NOESY, no=3192, id=4575
! violated assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name   HG) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
! violated assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   29 and name  HD1) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   39 and name  HB2) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   94 and name   HA) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
! violated assign (segid "    " and resid  107 and name   HG) (segid "    " and resid   30 and name  HB2) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
! violated assign (segid "    " and resid  107 and name   HG) (segid "    " and resid   30 and name  HB1) 2.952 1.046 1.046 ! spec=13C NOESY, no=3197, id=4580
assign (segid "    " and resid   28 and name HD12) (segid "    " and resid   28 and name   HG) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
! violated assign (segid "    " and resid   28 and name HD11) (segid "    " and resid   28 and name   HG) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
assign (segid "    " and resid   28 and name HD13) (segid "    " and resid   28 and name   HG) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
! violated assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD22) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD21) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD23) 2.142 0.551 0.551 ! spec=13C NOESY, no=3198, id=4581
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HG2) 2.831 0.962 0.962 ! spec=13C NOESY, no=3202, id=4585
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HG1) 2.831 0.962 0.962 ! spec=13C NOESY, no=3202, id=4585
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HG12) 2.831 0.962 0.962 ! spec=13C NOESY, no=3202, id=4585
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG12) 3.018 1.093 1.093 ! spec=13C NOESY, no=3203, id=4586
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   58 and name  HG2) 3.018 1.093 1.093 ! spec=13C NOESY, no=3203, id=4586
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid   37 and name HG12) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid   37 and name HG12) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid   37 and name HD13) (segid "    " and resid   37 and name HG12) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HD12) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HD11) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid   37 and name HG11) (segid "    " and resid   37 and name HD13) 2.239 0.601 0.601 ! spec=13C NOESY, no=3207, id=4590
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name HG12) 2.829 0.960 0.960 ! spec=13C NOESY, no=3211, id=4594
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HG2) 2.829 0.960 0.960 ! spec=13C NOESY, no=3211, id=4594
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HG22) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
! violated assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HG21) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HG23) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
assign (segid "    " and resid  131 and name HG22) (segid "    " and resid  131 and name HG11) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid  131 and name HG11) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
! violated assign (segid "    " and resid  131 and name HG23) (segid "    " and resid  131 and name HG11) 2.431 0.709 0.709 ! spec=13C NOESY, no=3220, id=4603
assign (segid "    " and resid  131 and name HD12) (segid "    " and resid  131 and name HG11) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
assign (segid "    " and resid  131 and name HD11) (segid "    " and resid  131 and name HG11) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
assign (segid "    " and resid  131 and name HD13) (segid "    " and resid  131 and name HG11) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD12) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD11) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  125 and name HD13) 2.261 0.614 0.614 ! spec=13C NOESY, no=3221, id=4604
! violated assign (segid "    " and resid  131 and name HG11) (segid "    " and resid   54 and name   HN) 2.841 0.969 0.969 ! spec=13C NOESY, no=3223, id=4606
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG11) 2.841 0.969 0.969 ! spec=13C NOESY, no=3223, id=4606
! violated assign (segid "    " and resid  131 and name HG12) (segid "    " and resid  129 and name  HE2) 2.902 1.010 1.010 ! spec=13C NOESY, no=3229, id=4612
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG12) 2.902 1.010 1.010 ! spec=13C NOESY, no=3229, id=4612
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name HG12) 2.328 2.328 3.672 ! spec=13C NOESY, no=3233, id=4616
assign (segid "    " and resid  131 and name HG11) (segid "    " and resid  131 and name HG12) 2.328 2.328 3.672 ! spec=13C NOESY, no=3233, id=4616
assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name   HA) 3.027 1.100 1.100 ! spec=13C NOESY, no=3240, id=4623
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HD1) 3.027 1.100 1.100 ! spec=13C NOESY, no=3240, id=4623
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid  131 and name HG11) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   45 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   45 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   45 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   74 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   52 and name HG22) (segid "    " and resid   74 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
assign (segid "    " and resid   52 and name HG23) (segid "    " and resid   74 and name   HA) 2.623 2.623 3.377 ! spec=13C NOESY, no=3241, id=4624
! violated assign (segid "    " and resid   45 and name  HD2) (segid "    " and resid   45 and name   HA) 2.695 0.872 0.872 ! spec=13C NOESY, no=3244, id=4627
! violated assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   46 and name  HA1) 2.695 0.872 0.872 ! spec=13C NOESY, no=3244, id=4627
! violated assign (segid "    " and resid   70 and name  HD2) (segid "    " and resid   71 and name   HA) 3.072 1.132 1.132 ! spec=13C NOESY, no=3250, id=4633
assign (segid "    " and resid   73 and name  HD2) (segid "    " and resid   71 and name   HA) 3.072 1.132 1.132 ! spec=13C NOESY, no=3250, id=4633
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   59 and name   HA) 2.734 2.734 3.266 ! spec=13C NOESY, no=3253, id=4636
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   66 and name   HA) 2.734 2.734 3.266 ! spec=13C NOESY, no=3253, id=4636
! violated assign (segid "    " and resid  120 and name   HA) (segid "    " and resid  121 and name  HB2) 2.997 1.078 1.078 ! spec=13C NOESY, no=3260, id=4643
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   35 and name  HE2) 2.997 1.078 1.078 ! spec=13C NOESY, no=3260, id=4643
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   64 and name   HA) 2.360 0.668 0.668 ! spec=13C NOESY, no=3262, id=4645
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  105 and name   HA) 2.360 0.668 0.668 ! spec=13C NOESY, no=3262, id=4645
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  105 and name   HA) 2.360 0.668 0.668 ! spec=13C NOESY, no=3262, id=4645
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  105 and name   HA) 2.360 0.668 0.668 ! spec=13C NOESY, no=3262, id=4645
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   64 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   64 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   64 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   37 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
! violated assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   37 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
! violated assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   37 and name   HA) 2.035 0.497 0.497 ! spec=13C NOESY, no=3263, id=4646
assign (segid "    " and resid  120 and name   HA) (segid "    " and resid  120 and name  HG2) 2.727 0.892 0.892 ! spec=13C NOESY, no=3266, id=4649
! violated assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   15 and name   HA) 2.727 0.892 0.892 ! spec=13C NOESY, no=3266, id=4649
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 2.597 0.809 0.809 ! spec=13C NOESY, no=3273, id=4656
assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  105 and name  HB2) 2.597 0.809 0.809 ! spec=13C NOESY, no=3273, id=4656
! violated assign (segid "    " and resid   98 and name HG21) (segid "    " and resid   37 and name   HA) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid   37 and name   HA) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid   37 and name   HA) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  103 and name HG12) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  103 and name HG11) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  103 and name HG13) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  123 and name HG21) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  123 and name HG22) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  123 and name HG23) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
! violated assign (segid "    " and resid  105 and name   HA) (segid "    " and resid  124 and name   HG) 3.065 1.127 1.127 ! spec=13C NOESY, no=3274, id=4657
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   85 and name  HA1) 3.039 1.109 1.109 ! spec=13C NOESY, no=3276, id=4659
! violated assign (segid "    " and resid   87 and name   HA) (segid "    " and resid   86 and name   HA) 3.039 1.109 1.109 ! spec=13C NOESY, no=3276, id=4659
! violated assign (segid "    " and resid  114 and name   HA) (segid "    " and resid  115 and name  HA1) 3.039 1.109 1.109 ! spec=13C NOESY, no=3276, id=4659
! violated assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   42 and name  HA1) 3.039 1.109 1.109 ! spec=13C NOESY, no=3276, id=4659
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   45 and name  HG1) 2.878 0.994 0.994 ! spec=13C NOESY, no=3280, id=4663
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   45 and name  HG1) 2.878 0.994 0.994 ! spec=13C NOESY, no=3280, id=4663
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HG) 2.878 0.994 0.994 ! spec=13C NOESY, no=3280, id=4663
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   90 and name   HG) 2.878 0.994 0.994 ! spec=13C NOESY, no=3280, id=4663
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   90 and name   HG) 3.035 1.106 1.106 ! spec=13C NOESY, no=3281, id=4664
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid  104 and name  HG2) 3.035 1.106 1.106 ! spec=13C NOESY, no=3281, id=4664
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid   59 and name   HG) 3.035 1.106 1.106 ! spec=13C NOESY, no=3281, id=4664
! violated assign (segid "    " and resid   59 and name   HG) (segid "    " and resid   65 and name  HD1) 3.035 1.106 1.106 ! spec=13C NOESY, no=3281, id=4664
! violated assign (segid "    " and resid   59 and name   HG) (segid "    " and resid   65 and name  HE1) 3.035 1.106 1.106 ! spec=13C NOESY, no=3281, id=4664
! violated assign (segid "    " and resid  112 and name  HG2) (segid "    " and resid  113 and name   HA) 2.836 2.836 3.164 ! spec=13C NOESY, no=3283, id=4666
assign (segid "    " and resid   45 and name  HG2) (segid "    " and resid   50 and name   HA) 2.836 2.836 3.164 ! spec=13C NOESY, no=3283, id=4666
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   45 and name  HD1) 2.961 2.961 3.039 ! spec=13C NOESY, no=3290, id=4673
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   92 and name   HA) 2.961 2.961 3.039 ! spec=13C NOESY, no=3290, id=4673
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   97 and name  HB1) 2.961 2.961 3.039 ! spec=13C NOESY, no=3290, id=4673
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   32 and name   HG) 3.053 1.118 1.118 ! spec=13C NOESY, no=3297, id=4680
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid  120 and name  HG2) 3.053 1.118 1.118 ! spec=13C NOESY, no=3297, id=4680
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HG2) 3.053 1.118 1.118 ! spec=13C NOESY, no=3297, id=4680
! violated assign (segid "    " and resid   59 and name   HG) (segid "    " and resid   63 and name   HN) 2.915 1.020 1.020 ! spec=13C NOESY, no=3298, id=4681
! violated assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   33 and name   HN) 2.915 1.020 1.020 ! spec=13C NOESY, no=3298, id=4681
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   32 and name   HG) 2.915 1.020 1.020 ! spec=13C NOESY, no=3298, id=4681
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name   HG) 2.944 1.040 1.040 ! spec=13C NOESY, no=3299, id=4682
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   85 and name  HA2) 2.944 1.040 1.040 ! spec=13C NOESY, no=3299, id=4682
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   27 and name   HA) 2.732 0.896 0.896 ! spec=13C NOESY, no=3302, id=4685
assign (segid "    " and resid  107 and name   HA) (segid "    " and resid  107 and name   HG) 2.732 0.896 0.896 ! spec=13C NOESY, no=3302, id=4685
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD12) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD11) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD13) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD22) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD21) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
assign (segid "    " and resid  107 and name   HG) (segid "    " and resid  107 and name HD23) 2.228 0.596 0.596 ! spec=13C NOESY, no=3303, id=4686
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  124 and name   HG) 2.313 0.642 0.642 ! spec=13C NOESY, no=3308, id=4691
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  124 and name   HG) 2.313 0.642 0.642 ! spec=13C NOESY, no=3308, id=4691
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  124 and name   HG) 2.313 0.642 0.642 ! spec=13C NOESY, no=3308, id=4691
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  128 and name   HB) 2.313 0.642 0.642 ! spec=13C NOESY, no=3308, id=4691
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   60 and name   HB) 2.578 2.578 3.422 ! spec=13C NOESY, no=3313, id=4696
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HA) 2.578 2.578 3.422 ! spec=13C NOESY, no=3313, id=4696
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HA) 2.578 2.578 3.422 ! spec=13C NOESY, no=3313, id=4696
assign (segid "    " and resid   14 and name  HB3) (segid "    " and resid   15 and name   HA) 2.578 2.578 3.422 ! spec=13C NOESY, no=3313, id=4696
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   19 and name  HB2) 2.578 2.578 3.422 ! spec=13C NOESY, no=3313, id=4696
! violated assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 1.982 0.471 0.471 ! spec=13C NOESY, no=3315, id=4698
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 1.982 0.471 0.471 ! spec=13C NOESY, no=3315, id=4698
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   44 and name  HB2) 2.501 2.501 3.499 ! spec=13C NOESY, no=3319, id=4702
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   43 and name   HA) 2.501 2.501 3.499 ! spec=13C NOESY, no=3319, id=4702
! violated assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   86 and name   HA) 2.621 0.824 0.824 ! spec=13C NOESY, no=3322, id=4705
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   86 and name   HA) 2.621 0.824 0.824 ! spec=13C NOESY, no=3322, id=4705
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   86 and name  HB2) 2.572 0.794 0.794 ! spec=13C NOESY, no=3325, id=4708
! violated assign (segid "    " and resid   44 and name  HE2) (segid "    " and resid   94 and name   HA) 2.572 0.794 0.794 ! spec=13C NOESY, no=3325, id=4708
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   94 and name   HA) 2.572 0.794 0.794 ! spec=13C NOESY, no=3325, id=4708
! violated assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   28 and name HD22) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   28 and name HD21) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
! violated assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   28 and name HD23) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   32 and name HD12) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
! violated assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   32 and name HD11) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
! violated assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   32 and name HD13) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   90 and name HD22) (segid "    " and resid   86 and name   HA) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   90 and name HD21) (segid "    " and resid   86 and name   HA) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   90 and name HD23) (segid "    " and resid   86 and name   HA) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   90 and name  HB2) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   86 and name   HA) (segid "    " and resid  128 and name HG11) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   93 and name  HG1) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid  130 and name   HG) 2.697 2.697 3.303 ! spec=13C NOESY, no=3326, id=4709
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   86 and name   HA) 2.852 0.976 0.976 ! spec=13C NOESY, no=3329, id=4712
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   42 and name   HN) 2.852 0.976 0.976 ! spec=13C NOESY, no=3329, id=4712
! violated assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   85 and name  HA1) 2.821 0.955 0.955 ! spec=13C NOESY, no=3330, id=4713
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   93 and name   HA) 2.821 0.955 0.955 ! spec=13C NOESY, no=3330, id=4713
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   94 and name   HA) 2.821 0.955 0.955 ! spec=13C NOESY, no=3330, id=4713
! violated assign (segid "    " and resid   95 and name   HA) (segid "    " and resid   94 and name   HA) 2.821 0.955 0.955 ! spec=13C NOESY, no=3330, id=4713
! violated assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  119 and name  HA1) 2.821 0.955 0.955 ! spec=13C NOESY, no=3330, id=4713
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   86 and name   HA) 2.226 0.595 0.595 ! spec=13C NOESY, no=3331, id=4714
assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   86 and name   HA) 2.226 0.595 0.595 ! spec=13C NOESY, no=3331, id=4714
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   86 and name   HA) 2.226 0.595 0.595 ! spec=13C NOESY, no=3331, id=4714
assign (segid "    " and resid   94 and name  HB2) (segid "    " and resid   94 and name   HA) 2.226 0.595 0.595 ! spec=13C NOESY, no=3331, id=4714
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
! violated assign (segid "    " and resid  118 and name HG22) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
assign (segid "    " and resid  118 and name HG21) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
assign (segid "    " and resid  118 and name HG23) (segid "    " and resid  118 and name   HA) 2.463 0.728 0.728 ! spec=13C NOESY, no=3332, id=4715
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HG) 2.443 0.716 0.716 ! spec=13C NOESY, no=3339, id=4722
! violated assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid  120 and name  HG2) 2.443 0.716 0.716 ! spec=13C NOESY, no=3339, id=4722
! violated assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid  120 and name  HG2) 2.443 0.716 0.716 ! spec=13C NOESY, no=3339, id=4722
assign (segid "    " and resid    5 and name  HB3) (segid "    " and resid  120 and name  HG2) 2.443 0.716 0.716 ! spec=13C NOESY, no=3339, id=4722
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD12) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD11) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD13) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   32 and name   HG) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   32 and name   HG) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   32 and name   HG) 2.459 0.726 0.726 ! spec=13C NOESY, no=3340, id=4723
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   32 and name   HG) 2.681 2.681 3.319 ! spec=13C NOESY, no=3342, id=4725
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HG2) 2.681 2.681 3.319 ! spec=13C NOESY, no=3342, id=4725
! violated assign (segid "    " and resid  103 and name   HA) (segid "    " and resid   32 and name   HG) 2.358 0.667 0.667 ! spec=13C NOESY, no=3344, id=4727
! violated assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HG2) 2.358 0.667 0.667 ! spec=13C NOESY, no=3344, id=4727
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   74 and name  HG2) 2.075 0.517 0.517 ! spec=13C NOESY, no=3345, id=4728
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HG2) 2.075 0.517 0.517 ! spec=13C NOESY, no=3345, id=4728
! violated assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  120 and name  HG2) 2.074 0.516 0.516 ! spec=13C NOESY, no=3346, id=4729
! violated assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name   HG) 2.074 0.516 0.516 ! spec=13C NOESY, no=3346, id=4729
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD12) 2.114 0.536 0.536 ! spec=13C NOESY, no=3347, id=4730
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD11) 2.114 0.536 0.536 ! spec=13C NOESY, no=3347, id=4730
! violated assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD13) 2.114 0.536 0.536 ! spec=13C NOESY, no=3347, id=4730
! violated assign (segid "    " and resid   74 and name  HG2) (segid "    " and resid  131 and name HG11) 2.114 0.536 0.536 ! spec=13C NOESY, no=3347, id=4730
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name   HA) 2.826 0.958 0.958 ! spec=13C NOESY, no=3349, id=4732
assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  127 and name   HA) 2.826 0.958 0.958 ! spec=13C NOESY, no=3349, id=4732
! violated assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   11 and name   HN) 3.018 1.093 1.093 ! spec=13C NOESY, no=3350, id=4733
! violated assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  110 and name   HN) 3.018 1.093 1.093 ! spec=13C NOESY, no=3350, id=4733
! violated assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  125 and name   HN) 3.018 1.093 1.093 ! spec=13C NOESY, no=3350, id=4733
! violated assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name   HN) 2.794 0.937 0.937 ! spec=13C NOESY, no=3351, id=4734
assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   12 and name   HN) 2.794 0.937 0.937 ! spec=13C NOESY, no=3351, id=4734
! violated assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   15 and name   HN) 3.208 1.235 1.235 ! spec=13C NOESY, no=3352, id=4735
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  126 and name  HE1) 3.208 1.235 1.235 ! spec=13C NOESY, no=3352, id=4735
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  109 and name  HE1) 2.702 0.876 0.876 ! spec=13C NOESY, no=3356, id=4739
! violated assign (segid "    " and resid  128 and name HG11) (segid "    " and resid   86 and name  HZ2) 2.702 0.876 0.876 ! spec=13C NOESY, no=3356, id=4739
! violated assign (segid "    " and resid  123 and name   HA) (segid "    " and resid  124 and name   HG) 2.760 0.914 0.914 ! spec=13C NOESY, no=3358, id=4741
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   60 and name HG11) 2.760 0.914 0.914 ! spec=13C NOESY, no=3358, id=4741
assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   61 and name  HB2) 2.935 1.034 1.034 ! spec=13C NOESY, no=3359, id=4742
! violated assign (segid "    " and resid  103 and name   HB) (segid "    " and resid  124 and name   HG) 2.935 1.034 1.034 ! spec=13C NOESY, no=3359, id=4742
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   60 and name HG11) 2.277 0.622 0.622 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD22) 2.277 0.622 0.622 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD21) 2.277 0.622 0.622 ! spec=13C NOESY, no=3360, id=4743
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD23) 2.277 0.622 0.622 ! spec=13C NOESY, no=3360, id=4743
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   60 and name HG12) 2.466 2.466 3.534 ! spec=13C NOESY, no=3363, id=4746
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   11 and name   HN) 2.466 2.466 3.534 ! spec=13C NOESY, no=3363, id=4746
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name   HN) 2.848 2.848 3.152 ! spec=13C NOESY, no=3365, id=4748
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   60 and name HG12) 2.848 2.848 3.152 ! spec=13C NOESY, no=3365, id=4748
! violated assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name  HD1) 2.515 2.515 3.485 ! spec=13C NOESY, no=3367, id=4750
! violated assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name  HE1) 2.515 2.515 3.485 ! spec=13C NOESY, no=3367, id=4750
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  130 and name HD12) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  130 and name HD11) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid  130 and name HD13) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD12) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD11) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD13) 2.575 0.796 0.796 ! spec=13C NOESY, no=3376, id=4759
! violated assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  122 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  122 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  122 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   43 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   43 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   43 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   44 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   44 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   44 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   52 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   52 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
! violated assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   52 and name   HN) 3.103 1.156 1.156 ! spec=13C NOESY, no=3377, id=4760
assign (segid "    " and resid  124 and name HD12) (segid "    " and resid   65 and name  HE1) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid  124 and name HD11) (segid "    " and resid   65 and name  HE1) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid  124 and name HD13) (segid "    " and resid   65 and name  HE1) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid  130 and name HD12) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid  130 and name HD11) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid  130 and name HD13) 2.843 2.843 3.157 ! spec=13C NOESY, no=3380, id=4763
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD12) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD11) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  130 and name   HA) (segid "    " and resid  130 and name HD13) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid  133 and name   HA) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid  133 and name   HA) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  130 and name HD13) (segid "    " and resid  133 and name   HA) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  124 and name HD12) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
! violated assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  124 and name HD11) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  124 and name HD13) 2.546 2.546 3.454 ! spec=13C NOESY, no=3384, id=4767
assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  124 and name HD22) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  124 and name HD21) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  124 and name HD23) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  124 and name HD22) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  124 and name HD21) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  124 and name HD23) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  124 and name HD22) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  124 and name HD21) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  124 and name HD23) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name HD12) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
! violated assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name HD11) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
assign (segid "    " and resid  130 and name  HB1) (segid "    " and resid  130 and name HD13) 2.264 0.615 0.615 ! spec=13C NOESY, no=3387, id=4770
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   44 and name  HB1) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   44 and name  HB1) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   44 and name  HB1) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   44 and name  HD2) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   44 and name  HD2) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   44 and name  HD2) 2.541 2.541 3.459 ! spec=13C NOESY, no=3388, id=4771
! violated assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD12) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
! violated assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD11) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
! violated assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name HD13) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
! violated assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   44 and name  HB2) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   44 and name  HB2) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
! violated assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   44 and name  HB2) 2.142 0.551 0.551 ! spec=13C NOESY, no=3389, id=4772
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD12) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD11) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name HD13) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid  130 and name   HG) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid  130 and name HD11) (segid "    " and resid  130 and name   HG) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid  130 and name HD13) (segid "    " and resid  130 and name   HG) 2.186 0.574 0.574 ! spec=13C NOESY, no=3391, id=4774
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   15 and name   HA) 2.671 0.856 0.856 ! spec=13C NOESY, no=3394, id=4777
! violated assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name   HA) 2.671 0.856 0.856 ! spec=13C NOESY, no=3394, id=4777
! violated assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HD12) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HD11) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name HD13) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   15 and name   HA) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
! violated assign (segid "    " and resid   60 and name HG21) (segid "    " and resid   15 and name   HA) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
assign (segid "    " and resid   60 and name HG23) (segid "    " and resid   15 and name   HA) 2.522 2.522 3.478 ! spec=13C NOESY, no=3401, id=4784
! violated assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   94 and name   HA) 2.925 1.027 1.027 ! spec=13C NOESY, no=3404, id=4787
! violated assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   42 and name  HA1) 2.925 1.027 1.027 ! spec=13C NOESY, no=3404, id=4787
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   41 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=3406, id=4789
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   44 and name   HA) 2.686 2.686 3.314 ! spec=13C NOESY, no=3406, id=4789
! violated assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   25 and name   HA) 2.885 0.999 0.999 ! spec=13C NOESY, no=3407, id=4790
! violated assign (segid "    " and resid   86 and name   HA) (segid "    " and resid   85 and name  HA2) 2.885 0.999 0.999 ! spec=13C NOESY, no=3407, id=4790
! violated assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   94 and name   HA) 2.885 0.999 0.999 ! spec=13C NOESY, no=3407, id=4790
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   44 and name  HD2) 2.697 0.873 0.873 ! spec=13C NOESY, no=3408, id=4791
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   44 and name  HD1) 2.697 0.873 0.873 ! spec=13C NOESY, no=3408, id=4791
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   45 and name  HD1) 3.149 1.190 1.190 ! spec=13C NOESY, no=3409, id=4792
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   92 and name   HA) 3.149 1.190 1.190 ! spec=13C NOESY, no=3409, id=4792
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   97 and name  HB1) 3.149 1.190 1.190 ! spec=13C NOESY, no=3409, id=4792
! violated assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  115 and name  HA2) 3.149 1.190 1.190 ! spec=13C NOESY, no=3409, id=4792
assign (segid "    " and resid   90 and name   HG) (segid "    " and resid   86 and name   HA) 2.644 0.839 0.839 ! spec=13C NOESY, no=3412, id=4795
! violated assign (segid "    " and resid   94 and name  HG2) (segid "    " and resid   94 and name   HA) 2.644 0.839 0.839 ! spec=13C NOESY, no=3412, id=4795
assign (segid "    " and resid  118 and name   HB) (segid "    " and resid  118 and name   HA) 2.644 0.839 0.839 ! spec=13C NOESY, no=3412, id=4795
! violated assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HA) 2.853 0.976 0.976 ! spec=13C NOESY, no=3413, id=4796
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   94 and name  HD1) 2.853 0.976 0.976 ! spec=13C NOESY, no=3413, id=4796
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  118 and name   HA) 2.853 0.976 0.976 ! spec=13C NOESY, no=3413, id=4796
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   33 and name   HA) 3.203 3.203 2.797 ! spec=13C NOESY, no=3415, id=4798
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   34 and name  HE1) 3.203 3.203 2.797 ! spec=13C NOESY, no=3415, id=4798
assign (segid "    " and resid  111 and name  HD2) (segid "    " and resid  111 and name  HG1) 2.321 0.646 0.646 ! spec=13C NOESY, no=3422, id=4805
assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  117 and name  HD2) 2.321 0.646 0.646 ! spec=13C NOESY, no=3422, id=4805
assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   15 and name  HB2) 2.894 1.005 1.005 ! spec=13C NOESY, no=3440, id=4823
! violated assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name   HA) 2.894 1.005 1.005 ! spec=13C NOESY, no=3440, id=4823
assign (segid "    " and resid  118 and name HG12) (segid "    " and resid  118 and name   HA) 2.592 0.806 0.806 ! spec=13C NOESY, no=3449, id=4832
assign (segid "    " and resid   26 and name   HB) (segid "    " and resid   26 and name   HA) 2.592 0.806 0.806 ! spec=13C NOESY, no=3449, id=4832
! violated assign (segid "    " and resid   59 and name HD12) (segid "    " and resid  118 and name   HA) 2.456 0.724 0.724 ! spec=13C NOESY, no=3450, id=4833
! violated assign (segid "    " and resid   59 and name HD11) (segid "    " and resid  118 and name   HA) 2.456 0.724 0.724 ! spec=13C NOESY, no=3450, id=4833
assign (segid "    " and resid   59 and name HD13) (segid "    " and resid  118 and name   HA) 2.456 0.724 0.724 ! spec=13C NOESY, no=3450, id=4833
assign (segid "    " and resid  118 and name HG11) (segid "    " and resid  118 and name   HA) 2.456 0.724 0.724 ! spec=13C NOESY, no=3450, id=4833
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid   59 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=3451, id=4834
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  113 and name   HA) 2.058 2.058 3.942 ! spec=13C NOESY, no=3451, id=4834
assign (segid "    " and resid  117 and name  HG1) (segid "    " and resid  118 and name   HA) 2.447 2.447 3.553 ! spec=13C NOESY, no=3452, id=4835
assign (segid "    " and resid  118 and name   HA) (segid "    " and resid  122 and name  HG1) 2.447 2.447 3.553 ! spec=13C NOESY, no=3452, id=4835
! violated assign (segid "    " and resid  111 and name   HA) (segid "    " and resid  111 and name  HG1) 2.742 0.902 0.902 ! spec=13C NOESY, no=3454, id=4837
! violated assign (segid "    " and resid  119 and name  HA2) (segid "    " and resid  120 and name  HG1) 2.742 0.902 0.902 ! spec=13C NOESY, no=3454, id=4837
assign (segid "    " and resid  111 and name  HG1) (segid "    " and resid  111 and name  HG2) 2.025 0.492 0.492 ! spec=13C NOESY, no=3458, id=4841
assign (segid "    " and resid  120 and name  HG2) (segid "    " and resid  120 and name  HG1) 2.025 0.492 0.492 ! spec=13C NOESY, no=3458, id=4841
assign (segid "    " and resid  120 and name   HA) (segid "    " and resid  120 and name  HG2) 2.907 1.014 1.014 ! spec=13C NOESY, no=3459, id=4842
assign (segid "    " and resid  120 and name   HA) (segid "    " and resid  120 and name  HG1) 2.907 1.014 1.014 ! spec=13C NOESY, no=3459, id=4842
assign (segid "    " and resid  111 and name  HD1) (segid "    " and resid  111 and name  HG2) 2.499 0.749 0.749 ! spec=13C NOESY, no=3460, id=4843
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid  120 and name  HG2) 2.499 0.749 0.749 ! spec=13C NOESY, no=3460, id=4843
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  120 and name  HG2) 2.479 0.738 0.738 ! spec=13C NOESY, no=3461, id=4844
assign (segid "    " and resid  120 and name  HD1) (segid "    " and resid  120 and name  HG1) 2.479 0.738 0.738 ! spec=13C NOESY, no=3461, id=4844
assign (segid "    " and resid   74 and name  HD2) (segid "    " and resid   74 and name  HG2) 2.479 0.738 0.738 ! spec=13C NOESY, no=3461, id=4844
! violated assign (segid "    " and resid   74 and name  HG2) (segid "    " and resid  131 and name HG11) 2.230 0.597 0.597 ! spec=13C NOESY, no=3462, id=4845
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD22) 2.230 0.597 0.597 ! spec=13C NOESY, no=3462, id=4845
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD21) 2.230 0.597 0.597 ! spec=13C NOESY, no=3462, id=4845
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD23) 2.230 0.597 0.597 ! spec=13C NOESY, no=3462, id=4845
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid   86 and name   HN) 2.569 2.569 3.431 ! spec=13C NOESY, no=3468, id=4851
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD12) 2.569 2.569 3.431 ! spec=13C NOESY, no=3468, id=4851
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD11) 2.569 2.569 3.431 ! spec=13C NOESY, no=3468, id=4851
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD13) 2.569 2.569 3.431 ! spec=13C NOESY, no=3468, id=4851
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD12) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD11) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name HD13) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   85 and name  HA2) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   32 and name HD11) (segid "    " and resid   85 and name  HA2) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   32 and name HD13) (segid "    " and resid   85 and name  HA2) 2.510 2.510 3.490 ! spec=13C NOESY, no=3472, id=4855
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD22) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD21) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   28 and name HD23) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
assign (segid "    " and resid   92 and name HD22) (segid "    " and resid   88 and name   HA) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
assign (segid "    " and resid   92 and name HD21) (segid "    " and resid   88 and name   HA) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
! violated assign (segid "    " and resid   92 and name HD23) (segid "    " and resid   88 and name   HA) 2.530 2.530 3.470 ! spec=13C NOESY, no=3473, id=4856
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD12) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD11) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   85 and name  HA1) (segid "    " and resid   32 and name HD13) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid   32 and name HD12) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid   32 and name HD11) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid  104 and name  HD2) (segid "    " and resid   32 and name HD13) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD22) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD21) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   89 and name   HA) (segid "    " and resid   92 and name HD23) 2.371 2.371 3.629 ! spec=13C NOESY, no=3474, id=4857
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD22) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD21) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
! violated assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name HD23) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
! violated assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD22) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD21) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   28 and name HD23) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD12) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD11) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
! violated assign (segid "    " and resid   32 and name   HG) (segid "    " and resid   32 and name HD13) 1.940 0.452 0.452 ! spec=13C NOESY, no=3476, id=4859
! violated assign (segid "    " and resid  101 and name HG12) (segid "    " and resid   33 and name   HA) 2.569 2.569 3.431 ! spec=13C NOESY, no=3480, id=4863
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid  126 and name   HA) 2.569 2.569 3.431 ! spec=13C NOESY, no=3480, id=4863
! violated assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   33 and name   HA) 2.569 2.569 3.431 ! spec=13C NOESY, no=3480, id=4863
! violated assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   33 and name   HA) 2.569 2.569 3.431 ! spec=13C NOESY, no=3480, id=4863
! violated assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   33 and name   HA) 2.569 2.569 3.431 ! spec=13C NOESY, no=3480, id=4863
! violated assign (segid "    " and resid   28 and name   HG) (segid "    " and resid   27 and name   HA) 2.516 0.760 0.760 ! spec=13C NOESY, no=3485, id=4868
assign (segid "    " and resid  133 and name   HA) (segid "    " and resid  133 and name   HB) 2.516 0.760 0.760 ! spec=13C NOESY, no=3485, id=4868
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name   HA) 2.670 0.855 0.855 ! spec=13C NOESY, no=3488, id=4871
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.670 0.855 0.855 ! spec=13C NOESY, no=3488, id=4871
! violated assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HA) 2.873 0.990 0.990 ! spec=13C NOESY, no=3491, id=4874
! violated assign (segid "    " and resid  133 and name   HA) (segid "    " and resid   52 and name   HB) 2.873 0.990 0.990 ! spec=13C NOESY, no=3491, id=4874
! violated assign (segid "    " and resid  133 and name   HA) (segid "    " and resid  132 and name  HB2) 2.873 0.990 0.990 ! spec=13C NOESY, no=3491, id=4874
assign (segid "    " and resid   27 and name   HB) (segid "    " and resid   27 and name   HA) 2.386 0.683 0.683 ! spec=13C NOESY, no=3494, id=4877
! violated assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   33 and name  HB2) 2.386 0.683 0.683 ! spec=13C NOESY, no=3494, id=4877
assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   27 and name   HA) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   27 and name   HA) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   27 and name   HA) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   26 and name HG12) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   26 and name HG11) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   26 and name HG13) 2.932 2.932 3.068 ! spec=13C NOESY, no=3495, id=4878
! violated assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
! violated assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
! violated assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
! violated assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
! violated assign (segid "    " and resid   32 and name HD11) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
assign (segid "    " and resid   32 and name HD13) (segid "    " and resid   33 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
! violated assign (segid "    " and resid  101 and name HG12) (segid "    " and resid   34 and name   HA) 2.709 0.881 0.881 ! spec=13C NOESY, no=3501, id=4884
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG12) 2.729 0.893 0.893 ! spec=13C NOESY, no=3502, id=4885
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  101 and name HG12) 2.729 0.893 0.893 ! spec=13C NOESY, no=3502, id=4885
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG12) 2.895 1.005 1.005 ! spec=13C NOESY, no=3503, id=4886
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name HG12) 2.895 1.005 1.005 ! spec=13C NOESY, no=3503, id=4886
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   15 and name   HN) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   60 and name HG12) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid  101 and name HG12) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   33 and name   HN) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
! violated assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   33 and name   HN) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
! violated assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   33 and name   HN) 2.784 2.784 3.216 ! spec=13C NOESY, no=3504, id=4887
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD12) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD11) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid  107 and name HD13) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD12) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD11) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid  107 and name HD13) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   85 and name  HA2) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   85 and name  HA2) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   85 and name  HA2) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   60 and name HG12) 2.205 2.205 3.795 ! spec=13C NOESY, no=3505, id=4888
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HG12) 2.585 2.585 3.415 ! spec=13C NOESY, no=3507, id=4890
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD12) 2.585 2.585 3.415 ! spec=13C NOESY, no=3507, id=4890
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD11) 2.585 2.585 3.415 ! spec=13C NOESY, no=3507, id=4890
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name HD13) 2.585 2.585 3.415 ! spec=13C NOESY, no=3507, id=4890
assign (segid "    " and resid  103 and name   HA) (segid "    " and resid  101 and name HG12) 2.164 2.164 3.836 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD12) 2.164 2.164 3.836 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD11) 2.164 2.164 3.836 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid  104 and name  HD1) (segid "    " and resid  107 and name HD13) 2.164 2.164 3.836 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   60 and name HG12) 2.164 2.164 3.836 ! spec=13C NOESY, no=3509, id=4892
assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   83 and name   HA) 2.699 0.874 0.874 ! spec=13C NOESY, no=3518, id=4901
assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   83 and name   HA) 2.699 0.874 0.874 ! spec=13C NOESY, no=3518, id=4901
assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   83 and name   HA) 2.699 0.874 0.874 ! spec=13C NOESY, no=3518, id=4901
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name HG12) 2.699 0.874 0.874 ! spec=13C NOESY, no=3518, id=4901
assign (segid "    " and resid   92 and name   HG) (segid "    " and resid   92 and name   HA) 2.455 0.723 0.723 ! spec=13C NOESY, no=3520, id=4903
! violated assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HD1) 2.455 0.723 0.723 ! spec=13C NOESY, no=3520, id=4903
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name  HG1) 2.876 2.876 3.124 ! spec=13C NOESY, no=3524, id=4907
assign (segid "    " and resid  101 and name HG11) (segid "    " and resid  102 and name  HD1) 2.876 2.876 3.124 ! spec=13C NOESY, no=3524, id=4907
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   22 and name  HG1) 2.405 0.694 0.694 ! spec=13C NOESY, no=3527, id=4910
! violated assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   23 and name  HD1) 2.405 0.694 0.694 ! spec=13C NOESY, no=3527, id=4910
assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HE2) 2.554 0.783 0.783 ! spec=13C NOESY, no=3529, id=4912
assign (segid "    " and resid   22 and name  HG1) (segid "    " and resid   22 and name  HE1) 2.554 0.783 0.783 ! spec=13C NOESY, no=3529, id=4912
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid    7 and name  HB1) 2.903 1.011 1.011 ! spec=13C NOESY, no=3531, id=4914
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   10 and name   HB) 2.903 1.011 1.011 ! spec=13C NOESY, no=3531, id=4914
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   22 and name  HG1) 2.903 1.011 1.011 ! spec=13C NOESY, no=3531, id=4914
assign (segid "    " and resid   23 and name  HD2) (segid "    " and resid   22 and name  HG2) 2.785 2.785 3.215 ! spec=13C NOESY, no=3536, id=4919
! violated assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid  127 and name  HG2) 2.785 2.785 3.215 ! spec=13C NOESY, no=3536, id=4919
! violated assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HE2) 2.396 0.689 0.689 ! spec=13C NOESY, no=3538, id=4921
! violated assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HE1) 2.396 0.689 0.689 ! spec=13C NOESY, no=3538, id=4921
! violated assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid    7 and name  HB2) 2.153 0.556 0.556 ! spec=13C NOESY, no=3547, id=4928
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HD2) 2.153 0.556 0.556 ! spec=13C NOESY, no=3547, id=4928
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   11 and name  HD2) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   60 and name HD11) (segid "    " and resid   11 and name  HD2) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   60 and name HD13) (segid "    " and resid   11 and name  HD2) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   25 and name HG12) (segid "    " and resid   22 and name  HG1) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   25 and name HG11) (segid "    " and resid   22 and name  HG1) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
assign (segid "    " and resid   25 and name HG13) (segid "    " and resid   22 and name  HG1) 2.891 2.891 3.109 ! spec=13C NOESY, no=3549, id=4930
! violated assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid    9 and name   HN) 3.092 1.147 1.147 ! spec=13C NOESY, no=3550, id=4931
assign (segid "    " and resid   11 and name  HD2) (segid "    " and resid   10 and name   HN) 3.092 1.147 1.147 ! spec=13C NOESY, no=3550, id=4931
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid  127 and name  HG2) 2.550 2.550 3.450 ! spec=13C NOESY, no=3552, id=4933
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name  HG2) 2.550 2.550 3.450 ! spec=13C NOESY, no=3552, id=4933
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HD2) 2.035 0.497 0.497 ! spec=13C NOESY, no=3554, id=4935
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  127 and name  HD2) 2.035 0.497 0.497 ! spec=13C NOESY, no=3554, id=4935
assign (segid "    " and resid  127 and name  HB2) (segid "    " and resid  127 and name  HG2) 2.035 0.497 0.497 ! spec=13C NOESY, no=3556, id=4937
! violated assign (segid "    " and resid  127 and name  HB1) (segid "    " and resid  127 and name  HG2) 2.035 0.497 0.497 ! spec=13C NOESY, no=3556, id=4937
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid   37 and name HG11) 2.703 2.703 3.297 ! spec=13C NOESY, no=3558, id=4939
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid   58 and name  HB2) 2.703 2.703 3.297 ! spec=13C NOESY, no=3558, id=4939
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid   70 and name  HG2) 2.703 2.703 3.297 ! spec=13C NOESY, no=3558, id=4939
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  101 and name HG11) 2.703 2.703 3.297 ! spec=13C NOESY, no=3558, id=4939
assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   29 and name  HG1) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   29 and name  HG1) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   29 and name  HG1) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   28 and name HD22) (segid "    " and resid   33 and name  HG2) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   28 and name HD21) (segid "    " and resid   33 and name  HG2) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   28 and name HD23) (segid "    " and resid   33 and name  HG2) 2.597 2.597 3.403 ! spec=13C NOESY, no=3572, id=4953
! violated assign (segid "    " and resid   32 and name HD22) (segid "    " and resid  101 and name   HA) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid   32 and name HD21) (segid "    " and resid  101 and name   HA) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid  101 and name   HA) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   89 and name  HB2) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   89 and name  HB1) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid   89 and name  HB3) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  128 and name HG11) 3.023 1.097 1.097 ! spec=13C NOESY, no=3610, id=4972
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG22) 2.470 0.732 0.732 ! spec=13C NOESY, no=3611, id=4973
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG21) 2.470 0.732 0.732 ! spec=13C NOESY, no=3611, id=4973
assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG23) 2.470 0.732 0.732 ! spec=13C NOESY, no=3611, id=4973
! violated assign (segid "    " and resid  101 and name   HA) (segid "    " and resid  101 and name HG12) 2.470 0.732 0.732 ! spec=13C NOESY, no=3611, id=4973
assign (segid "    " and resid  130 and name HD22) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
assign (segid "    " and resid  130 and name HD21) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
assign (segid "    " and resid  130 and name HD23) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
! violated assign (segid "    " and resid  131 and name HG22) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
assign (segid "    " and resid  131 and name HG21) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
assign (segid "    " and resid  131 and name HG23) (segid "    " and resid   53 and name   HA) 2.804 2.804 3.196 ! spec=13C NOESY, no=3614, id=4976
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG12) 2.425 2.425 3.575 ! spec=13C NOESY, no=3619, id=4981
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG11) 2.425 2.425 3.575 ! spec=13C NOESY, no=3619, id=4981
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name HG13) 2.425 2.425 3.575 ! spec=13C NOESY, no=3619, id=4981
assign (segid "    " and resid  131 and name HG11) (segid "    " and resid   53 and name   HA) 2.425 2.425 3.575 ! spec=13C NOESY, no=3619, id=4981
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name   HA) 2.568 0.791 0.791 ! spec=13C NOESY, no=3622, id=4984
assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   51 and name   HA) 2.568 0.791 0.791 ! spec=13C NOESY, no=3622, id=4984
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   50 and name HG22) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   50 and name HG23) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   79 and name HG22) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   79 and name HG21) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   79 and name HG23) (segid "    " and resid   51 and name   HA) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
! violated assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   90 and name  HB2) 2.656 2.656 3.344 ! spec=13C NOESY, no=3629, id=4991
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   56 and name   HB) 3.225 1.248 1.248 ! spec=13C NOESY, no=3632, id=4994
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   69 and name   HA) 3.225 1.248 1.248 ! spec=13C NOESY, no=3632, id=4994
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   54 and name   HA) 3.256 1.272 1.272 ! spec=13C NOESY, no=3636, id=4998
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  127 and name   HA) 3.256 1.272 1.272 ! spec=13C NOESY, no=3636, id=4998
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name   HA) 2.573 0.794 0.794 ! spec=13C NOESY, no=3638, id=5000
assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name   HA) 2.573 0.794 0.794 ! spec=13C NOESY, no=3638, id=5000
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   53 and name HG12) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   53 and name HG11) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   53 and name HG13) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  101 and name HG22) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  101 and name HG21) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
! violated assign (segid "    " and resid   55 and name   HA) (segid "    " and resid  101 and name HG23) 3.249 3.249 2.751 ! spec=13C NOESY, no=3640, id=5002
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   35 and name  HB2) 3.204 1.232 1.232 ! spec=13C NOESY, no=3642, id=5004
! violated assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  100 and name  HB2) 3.204 1.232 1.232 ! spec=13C NOESY, no=3642, id=5004
! violated assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   34 and name   HA) 2.773 0.923 0.923 ! spec=13C NOESY, no=3649, id=5011
assign (segid "    " and resid  101 and name   HB) (segid "    " and resid   34 and name   HA) 2.773 0.923 0.923 ! spec=13C NOESY, no=3649, id=5011
assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
assign (segid "    " and resid   32 and name HD21) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
! violated assign (segid "    " and resid   32 and name HD23) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
! violated assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   34 and name   HA) 3.058 3.058 2.942 ! spec=13C NOESY, no=3650, id=5012
! violated assign (segid "    " and resid   25 and name HG22) (segid "    " and resid   34 and name   HA) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
assign (segid "    " and resid   25 and name HG21) (segid "    " and resid   34 and name   HA) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
! violated assign (segid "    " and resid   25 and name HG23) (segid "    " and resid   34 and name   HA) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
! violated assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  125 and name HD12) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
! violated assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  125 and name HD11) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
! violated assign (segid "    " and resid   34 and name   HA) (segid "    " and resid  125 and name HD13) 3.272 3.272 2.728 ! spec=13C NOESY, no=3652, id=5014
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   56 and name   HB) 3.269 1.282 1.282 ! spec=13C NOESY, no=3655, id=5017
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid   56 and name   HB) 3.269 1.282 1.282 ! spec=13C NOESY, no=3655, id=5017
! violated assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  127 and name   HA) 2.446 0.718 0.718 ! spec=13C NOESY, no=3664, id=5025
! violated assign (segid "    " and resid  128 and name HG11) (segid "    " and resid  127 and name   HA) 2.446 0.718 0.718 ! spec=13C NOESY, no=3664, id=5025
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid   99 and name  HB2) 3.172 1.207 1.207 ! spec=13C NOESY, no=3665, id=5026
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  126 and name  HB1) 3.172 1.207 1.207 ! spec=13C NOESY, no=3665, id=5026
assign (segid "    " and resid  100 and name  HG1) (segid "    " and resid  127 and name   HA) 2.566 0.790 0.790 ! spec=13C NOESY, no=3666, id=5027
assign (segid "    " and resid  127 and name  HB1) (segid "    " and resid  127 and name   HA) 2.566 0.790 0.790 ! spec=13C NOESY, no=3666, id=5027
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG12) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG11) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG13) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   60 and name HD12) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   60 and name HD11) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   60 and name HD13) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD12) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD11) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD13) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG22) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG21) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG23) 3.247 3.247 2.753 ! spec=13C NOESY, no=3672, id=5033
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name   HA) 2.557 0.784 0.784 ! spec=13C NOESY, no=3673, id=5034
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   15 and name  HE1) 2.557 0.784 0.784 ! spec=13C NOESY, no=3673, id=5034
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid  118 and name HG11) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   16 and name HD12) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   16 and name HD11) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   16 and name HD13) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   64 and name HG12) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   64 and name HG11) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   64 and name HG13) 2.608 2.608 3.392 ! spec=13C NOESY, no=3676, id=5037
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG12) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG11) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   25 and name HG13) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD12) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD11) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   83 and name HD13) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG22) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG21) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
! violated assign (segid "    " and resid  127 and name   HA) (segid "    " and resid  128 and name HG23) 3.176 3.176 2.824 ! spec=13C NOESY, no=3677, id=5038
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name   HA) 2.728 0.893 0.893 ! spec=13C NOESY, no=3678, id=5039
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  102 and name   HA) 2.728 0.893 0.893 ! spec=13C NOESY, no=3678, id=5039
assign (segid "    " and resid  125 and name HD12) (segid "    " and resid  102 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  125 and name HD11) (segid "    " and resid  102 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  125 and name HD13) (segid "    " and resid  102 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  125 and name HG22) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  125 and name HG21) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  125 and name HG23) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid   37 and name HD12) (segid "    " and resid  127 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
assign (segid "    " and resid   37 and name HD11) (segid "    " and resid  127 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
! violated assign (segid "    " and resid   37 and name HD13) (segid "    " and resid  127 and name   HA) 2.858 2.858 3.142 ! spec=13C NOESY, no=3680, id=5041
! violated assign (segid "    " and resid  102 and name   HA) (segid "    " and resid  101 and name HG12) 2.390 0.686 0.686 ! spec=13C NOESY, no=3684, id=5045
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  102 and name   HA) 2.390 0.686 0.686 ! spec=13C NOESY, no=3684, id=5045
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  100 and name   HA) 2.400 0.691 0.691 ! spec=13C NOESY, no=3686, id=5047
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  100 and name   HA) 2.400 0.691 0.691 ! spec=13C NOESY, no=3686, id=5047
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  100 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=3687, id=5048
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  100 and name   HA) 3.105 1.157 1.157 ! spec=13C NOESY, no=3687, id=5048
! violated assign (segid "    " and resid  100 and name   HA) (segid "    " and resid   37 and name HG12) 2.790 0.934 0.934 ! spec=13C NOESY, no=3693, id=5054
assign (segid "    " and resid  100 and name   HA) (segid "    " and resid  128 and name HG11) 2.790 0.934 0.934 ! spec=13C NOESY, no=3693, id=5054
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  125 and name   HA) 3.102 1.155 1.155 ! spec=13C NOESY, no=3699, id=5060
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  127 and name   HA) 3.102 1.155 1.155 ! spec=13C NOESY, no=3699, id=5060
! violated assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  127 and name  HB2) 3.128 1.174 1.174 ! spec=13C NOESY, no=3704, id=5065
! violated assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  127 and name  HB1) 3.128 1.174 1.174 ! spec=13C NOESY, no=3704, id=5065
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  127 and name  HE2) 3.128 1.174 1.174 ! spec=13C NOESY, no=3704, id=5065
! violated assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  127 and name  HE1) 3.128 1.174 1.174 ! spec=13C NOESY, no=3704, id=5065
assign (segid "    " and resid  127 and name  HG2) (segid "    " and resid  126 and name   HA) 2.957 1.049 1.049 ! spec=13C NOESY, no=3705, id=5066
! violated assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  128 and name HG11) 2.957 1.049 1.049 ! spec=13C NOESY, no=3705, id=5066
assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  125 and name HG12) 3.241 1.260 1.260 ! spec=13C NOESY, no=3706, id=5067
! violated assign (segid "    " and resid  126 and name   HA) (segid "    " and resid  128 and name HG11) 3.241 1.260 1.260 ! spec=13C NOESY, no=3706, id=5067
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid  101 and name HG21) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
assign (segid "    " and resid  101 and name HG12) (segid "    " and resid  126 and name   HA) 3.018 3.018 2.982 ! spec=13C NOESY, no=3719, id=5080
! violated assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name   HB) 3.177 1.211 1.211 ! spec=13C NOESY, no=3736, id=5096
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid  100 and name  HG1) 3.177 1.211 1.211 ! spec=13C NOESY, no=3736, id=5096
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG22) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG21) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   99 and name   HA) (segid "    " and resid   36 and name HG23) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   37 and name HG22) (segid "    " and resid   99 and name   HA) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   37 and name HG21) (segid "    " and resid   99 and name   HA) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   37 and name HG23) (segid "    " and resid   99 and name   HA) 2.640 2.640 3.360 ! spec=13C NOESY, no=3740, id=5100
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   75 and name   HA) 2.832 2.832 3.168 ! spec=13C NOESY, no=3743, id=5103
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid  128 and name   HA) 2.832 2.832 3.168 ! spec=13C NOESY, no=3743, id=5103
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   73 and name   HA) 2.832 2.832 3.168 ! spec=13C NOESY, no=3743, id=5103
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   59 and name  HB2) 3.064 1.126 1.126 ! spec=13C NOESY, no=3752, id=5112
! violated assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   64 and name   HB) 3.064 1.126 1.126 ! spec=13C NOESY, no=3752, id=5112
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   58 and name   HA) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   58 and name   HA) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   58 and name   HA) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   64 and name HG22) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
! violated assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   64 and name HG21) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
! violated assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   64 and name HG23) 2.683 0.864 0.864 ! spec=13C NOESY, no=3754, id=5114
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  124 and name   HA) 3.094 1.149 1.149 ! spec=13C NOESY, no=3758, id=5118
assign (segid "    " and resid  124 and name   HA) (segid "    " and resid   60 and name   HN) 3.094 1.149 1.149 ! spec=13C NOESY, no=3758, id=5118
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   44 and name   HA) 3.203 1.231 1.231 ! spec=13C NOESY, no=3763, id=5123
assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  123 and name   HA) 3.203 1.231 1.231 ! spec=13C NOESY, no=3763, id=5123
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   38 and name   HA) 2.586 2.586 3.414 ! spec=13C NOESY, no=3764, id=5124
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   98 and name   HB) 2.586 2.586 3.414 ! spec=13C NOESY, no=3764, id=5124
assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   44 and name   HA) 2.586 2.586 3.414 ! spec=13C NOESY, no=3764, id=5124
! violated assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   91 and name   HA) 3.093 1.148 1.148 ! spec=13C NOESY, no=3767, id=5127
! violated assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   94 and name  HD1) 3.093 1.148 1.148 ! spec=13C NOESY, no=3767, id=5127
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  122 and name   HA) 3.093 1.148 1.148 ! spec=13C NOESY, no=3767, id=5127
! violated assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   40 and name  HA2) 3.093 1.148 1.148 ! spec=13C NOESY, no=3767, id=5127
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   44 and name   HA) 3.147 1.188 1.188 ! spec=13C NOESY, no=3771, id=5131
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid   59 and name  HB2) 3.147 1.188 1.188 ! spec=13C NOESY, no=3771, id=5131
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid   59 and name  HB1) 3.147 1.188 1.188 ! spec=13C NOESY, no=3771, id=5131
assign (segid "    " and resid  124 and name  HB1) (segid "    " and resid  124 and name   HA) 2.582 0.800 0.800 ! spec=13C NOESY, no=3772, id=5132
! violated assign (segid "    " and resid   44 and name   HA) (segid "    " and resid  133 and name   HB) 2.582 0.800 0.800 ! spec=13C NOESY, no=3772, id=5132
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name   HA) 2.342 0.658 0.658 ! spec=13C NOESY, no=3774, id=5134
assign (segid "    " and resid  124 and name  HB2) (segid "    " and resid  124 and name   HA) 2.342 0.658 0.658 ! spec=13C NOESY, no=3774, id=5134
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   99 and name  HD1) 3.083 3.083 2.917 ! spec=13C NOESY, no=3778, id=5138
assign (segid "    " and resid  124 and name   HA) (segid "    " and resid   15 and name  HE1) 3.083 3.083 2.917 ! spec=13C NOESY, no=3778, id=5138
assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  109 and name  HD1) 3.083 3.083 2.917 ! spec=13C NOESY, no=3778, id=5138
! violated assign (segid "    " and resid  130 and name   HG) (segid "    " and resid   44 and name   HA) 2.582 0.800 0.800 ! spec=13C NOESY, no=3781, id=5141
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  123 and name HG21) 2.582 0.800 0.800 ! spec=13C NOESY, no=3781, id=5141
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  123 and name HG22) 2.582 0.800 0.800 ! spec=13C NOESY, no=3781, id=5141
! violated assign (segid "    " and resid  124 and name   HA) (segid "    " and resid  123 and name HG23) 2.582 0.800 0.800 ! spec=13C NOESY, no=3781, id=5141
! violated assign (segid "    " and resid  124 and name   HG) (segid "    " and resid  124 and name   HA) 2.582 0.800 0.800 ! spec=13C NOESY, no=3781, id=5141
assign (segid "    " and resid  130 and name HD12) (segid "    " and resid   44 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
! violated assign (segid "    " and resid  130 and name HD11) (segid "    " and resid   44 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
! violated assign (segid "    " and resid  130 and name HD13) (segid "    " and resid   44 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
! violated assign (segid "    " and resid  124 and name HD12) (segid "    " and resid  124 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid  124 and name HD11) (segid "    " and resid  124 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid  124 and name HD13) (segid "    " and resid  124 and name   HA) 2.283 0.625 0.625 ! spec=13C NOESY, no=3782, id=5142
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   94 and name  HD1) 2.713 2.713 3.287 ! spec=13C NOESY, no=3786, id=5146
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   42 and name  HA2) 2.713 2.713 3.287 ! spec=13C NOESY, no=3786, id=5146
! violated assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   41 and name   HA) 2.985 1.069 1.069 ! spec=13C NOESY, no=3787, id=5147
! violated assign (segid "    " and resid   94 and name   HA) (segid "    " and resid   41 and name   HA) 2.985 1.069 1.069 ! spec=13C NOESY, no=3787, id=5147
! violated assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   40 and name  HA1) 3.029 1.101 1.101 ! spec=13C NOESY, no=3788, id=5148
! violated assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   97 and name  HB2) 3.029 1.101 1.101 ! spec=13C NOESY, no=3788, id=5148
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name HE21) 3.061 3.061 2.939 ! spec=13C NOESY, no=3796, id=5156
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid  102 and name  HD1) 3.061 3.061 2.939 ! spec=13C NOESY, no=3796, id=5156
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name  HB1) 2.549 0.780 0.780 ! spec=13C NOESY, no=3799, id=5159
assign (segid "    " and resid   33 and name  HG2) (segid "    " and resid   33 and name   HA) 2.549 0.780 0.780 ! spec=13C NOESY, no=3799, id=5159
! violated assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   33 and name   HA) 2.548 2.548 3.452 ! spec=13C NOESY, no=3802, id=5162
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  129 and name   HA) 2.628 0.829 0.829 ! spec=13C NOESY, no=3804, id=5164
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  129 and name   HA) 2.628 0.829 0.829 ! spec=13C NOESY, no=3804, id=5164
! violated assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   53 and name HG22) 2.768 2.768 3.232 ! spec=13C NOESY, no=3810, id=5170
! violated assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   53 and name HG21) 2.768 2.768 3.232 ! spec=13C NOESY, no=3810, id=5170
! violated assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   53 and name HG23) 2.768 2.768 3.232 ! spec=13C NOESY, no=3810, id=5170
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid   93 and name  HG1) 2.768 2.768 3.232 ! spec=13C NOESY, no=3810, id=5170
assign (segid "    " and resid  129 and name   HA) (segid "    " and resid  128 and name   HB) 2.768 2.768 3.232 ! spec=13C NOESY, no=3810, id=5170
assign (segid "    " and resid   98 and name   HA) (segid "    " and resid   37 and name HG12) 2.706 2.706 3.294 ! spec=13C NOESY, no=3842, id=5175
assign (segid "    " and resid   98 and name   HA) (segid "    " and resid   93 and name  HG1) 2.706 2.706 3.294 ! spec=13C NOESY, no=3842, id=5175
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   75 and name   HA) 2.652 2.652 3.348 ! spec=13C NOESY, no=3856, id=5189
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   77 and name   HA) 2.652 2.652 3.348 ! spec=13C NOESY, no=3856, id=5189
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   36 and name HG22) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   36 and name HG21) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid   37 and name   HB) (segid "    " and resid   36 and name HG23) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid  133 and name   HB) (segid "    " and resid   43 and name HG12) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid  133 and name   HB) (segid "    " and resid   43 and name HG11) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid  133 and name   HB) (segid "    " and resid   43 and name HG13) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   53 and name HG12) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   53 and name HG11) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   53 and name HG13) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid   83 and name HG22) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid   83 and name HG21) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid  107 and name  HB1) (segid "    " and resid   83 and name HG23) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   83 and name HG22) (segid "    " and resid  124 and name  HB1) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid  124 and name  HB1) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid  124 and name  HB1) 2.104 2.104 3.896 ! spec=13C NOESY, no=3868, id=5201
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG12) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG11) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
! violated assign (segid "    " and resid   95 and name  HB2) (segid "    " and resid   43 and name HG13) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG12) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG11) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB1) (segid "    " and resid   43 and name HG13) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG12) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG11) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   95 and name  HB3) (segid "    " and resid   43 and name HG13) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
! violated assign (segid "    " and resid  128 and name   HB) (segid "    " and resid   53 and name HG12) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid   53 and name HG11) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  128 and name   HB) (segid "    " and resid   53 and name HG13) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HG22) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HG21) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid   83 and name HG23) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HG22) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HG21) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid   83 and name HG23) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HG22) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HG21) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid   83 and name HG23) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   37 and name HG12) (segid "    " and resid   36 and name HG22) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
! violated assign (segid "    " and resid   37 and name HG12) (segid "    " and resid   36 and name HG21) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   37 and name HG12) (segid "    " and resid   36 and name HG23) 2.356 2.356 3.644 ! spec=13C NOESY, no=3869, id=5202
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HG2) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HG2) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
! violated assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HG2) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG12) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG11) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG13) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG22) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
! violated assign (segid "    " and resid   27 and name HG21) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
assign (segid "    " and resid   27 and name HG23) (segid "    " and resid   20 and name  HG1) 2.629 2.629 3.371 ! spec=13C NOESY, no=3881, id=5213
! violated assign (segid "    " and resid   83 and name HG22) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid   83 and name HG21) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid   83 and name HG23) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid  107 and name HD12) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
assign (segid "    " and resid  107 and name HD11) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid  107 and name HD13) (segid "    " and resid   85 and name  HA2) 2.642 0.837 0.837 ! spec=13C NOESY, no=3896, id=5220
! violated assign (segid "    " and resid  133 and name HG12) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
assign (segid "    " and resid  133 and name HG11) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
! violated assign (segid "    " and resid  133 and name HG13) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
assign (segid "    " and resid  133 and name HG22) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
assign (segid "    " and resid  133 and name HG21) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
! violated assign (segid "    " and resid  133 and name HG23) (segid "    " and resid  133 and name   HA) 2.091 0.525 0.525 ! spec=13C NOESY, no=3902, id=5226
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HB2) 2.974 1.061 1.061 ! spec=13C NOESY, no=3905, id=5229
! violated assign (segid "    " and resid  100 and name  HG2) (segid "    " and resid  127 and name   HN) 2.974 1.061 1.061 ! spec=13C NOESY, no=3905, id=5229
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD12) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD11) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD13) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD12) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD11) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD13) 2.400 2.400 3.600 ! spec=13C NOESY, no=3908, id=5232
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name HG12) 2.588 0.804 0.804 ! spec=13C NOESY, no=3920, id=5241
! violated assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name HG11) 2.588 0.804 0.804 ! spec=13C NOESY, no=3920, id=5241
assign (segid "    " and resid  122 and name   HA) (segid "    " and resid  122 and name  HB2) 2.850 0.975 0.975 ! spec=13C NOESY, no=3922, id=5243
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1) 2.850 0.975 0.975 ! spec=13C NOESY, no=3922, id=5243
assign (segid "    " and resid   18 and name  HG2) (segid "    " and resid   19 and name   HA) 2.728 0.893 0.893 ! spec=13C NOESY, no=3926, id=5247
! violated assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   72 and name  HA1) 2.728 0.893 0.893 ! spec=13C NOESY, no=3926, id=5247
assign (segid "    " and resid   74 and name  HD1) (segid "    " and resid   54 and name  HG2) 2.728 0.893 0.893 ! spec=13C NOESY, no=3926, id=5247
! violated assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   55 and name  HE1) 3.193 1.223 1.223 ! spec=13C_...OESY, no=2, id=5264
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   86 and name  HZ2) 3.193 1.223 1.223 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   53 and name HG12) 3.362 1.356 1.356 ! spec=13C_...OESY, no=8, id=5270
! violated assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   53 and name HG11) 3.362 1.356 1.356 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid   53 and name HG13) 3.362 1.356 1.356 ! spec=13C
assign (segid "    " and resid   86 and name  HZ2) (segid "    " and resid  101 and name HG12) 3.362 1.356 1.356 ! spec=13C
assign (segid "    " and resid   93 and name   HA) (segid "    " and resid   99 and name  HZ2) 2.749 0.907 0.907 ! spec=13C_...OESY, no=20, id=5282
assign (segid "    " and resid   94 and name  HD2) (segid "    " and resid   99 and name  HZ2) 2.749 0.907 0.907 ! spec=13C
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   99 and name  HZ2) 3.127 1.174 1.174 ! spec=13C_...OESY, no=21, id=5283
! violated assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   92 and name  HB1) 3.127 1.174 1.174 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   93 and name  HG1) 3.102 1.155 1.155 ! spec=13C_...OESY, no=26, id=5288
! violated assign (segid "    " and resid   99 and name  HZ2) (segid "    " and resid   94 and name  HB2) 3.102 1.155 1.155 ! spec=13C
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   86 and name  HB1) 2.629 0.830 0.830 ! spec=13C_...OESY, no=49, id=5311
assign (segid "    " and resid  109 and name  HB1) (segid "    " and resid  109 and name  HD1) 2.629 0.830 0.830 ! spec=13C
assign (segid "    " and resid  109 and name  HB2) (segid "    " and resid  109 and name  HD1) 2.664 0.852 0.852 ! spec=13C_...OESY, no=50, id=5312
! violated assign (segid "    " and resid  126 and name  HB1) (segid "    " and resid   55 and name  HD1) 2.664 0.852 0.852 ! spec=13C
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HD1) 2.791 0.934 0.934 ! spec=13C_...OESY, no=61, id=5323
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HD1) 2.791 0.934 0.934 ! spec=13C
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid   55 and name  HD1) 2.982 1.067 1.067 ! spec=13C_...OESY, no=62, id=5324
assign (segid "    " and resid  109 and name  HD1) (segid "    " and resid  126 and name   HZ) 2.982 1.067 1.067 ! spec=13C
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   67 and name   HA) 3.111 1.162 1.162 ! spec=13C_...OESY, no=64, id=5326
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HD1) 3.111 1.162 1.162 ! spec=13C
! violated assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   35 and name  HB1) 2.926 1.027 1.027 ! spec=13C_...OESY, no=68, id=5330
assign (segid "    " and resid   36 and name   HB) (segid "    " and resid   34 and name  HD1) 2.926 1.027 1.027 ! spec=13C
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   67 and name   HA) 3.044 1.112 1.112 ! spec=13C_...OESY, no=72, id=5334
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HD1) 3.044 1.112 1.112 ! spec=13C
assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid  124 and name   HA) 3.044 1.112 1.112 ! spec=13C
! violated assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid  100 and name   HN) 2.841 0.969 0.969 ! spec=13C_...OESY, no=87, id=5349
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HD1) 2.841 0.969 0.969 ! spec=13C
! violated assign (segid "    " and resid   12 and name  HA1) (segid "    " and resid   15 and name  HD1) 3.183 1.216 1.216 ! spec=13C_...OESY, no=102, id=5364
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid  123 and name   HB) 3.183 1.216 1.216 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HB2) (segid "    " and resid   15 and name  HD1) 3.040 1.109 1.109 ! spec=13C_...OESY, no=105, id=5367
! violated assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   15 and name  HD1) 3.040 1.109 1.109 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name  HB2) 2.560 0.787 0.787 ! spec=13C_...OESY, no=107, id=5369
! violated assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   15 and name  HD1) 2.560 0.787 0.787 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid  125 and name   HB) 2.560 0.787 0.787 ! spec=13C
! violated assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   67 and name  HB2) 3.190 1.221 1.221 ! spec=13C_...OESY, no=115, id=5377
! violated assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   65 and name  HD1) 3.190 1.221 1.221 ! spec=13C
! violated assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   65 and name  HE1) 3.190 1.221 1.221 ! spec=13C
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HD1) 2.913 1.018 1.018 ! spec=13C_...OESY, no=117, id=5379
assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid   57 and name  HA1) 2.913 1.018 1.018 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid  124 and name HD22) 2.968 1.057 1.057 ! spec=13C_...OESY, no=118, id=5380
! violated assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid  124 and name HD21) 2.968 1.057 1.057 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid  124 and name HD23) 2.968 1.057 1.057 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid  124 and name HD22) 2.968 1.057 1.057 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid  124 and name HD21) 2.968 1.057 1.057 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid  124 and name HD23) 2.968 1.057 1.057 ! spec=13C
! violated assign (segid "    " and resid   64 and name HG12) (segid "    " and resid   65 and name  HD1) 2.953 1.047 1.047 ! spec=13C_...OESY, no=119, id=5381
! violated assign (segid "    " and resid   64 and name HG11) (segid "    " and resid   65 and name  HD1) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   64 and name HG13) (segid "    " and resid   65 and name  HD1) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid  118 and name HG11) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   65 and name  HE1) (segid "    " and resid  118 and name HG11) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HG22) 2.953 1.047 1.047 ! spec=13C
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HG21) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name HG23) 2.953 1.047 1.047 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HE1) 2.882 0.996 0.996 ! spec=13C_...OESY, no=134, id=5396
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   60 and name   HA) 2.882 0.996 0.996 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid  123 and name HG21) 2.668 0.854 0.854 ! spec=13C_...OESY, no=137, id=5399
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid  123 and name HG22) 2.668 0.854 0.854 ! spec=13C
! violated assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid  123 and name HG23) 2.668 0.854 0.854 ! spec=13C
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid   15 and name  HE1) 2.668 0.854 0.854 ! spec=13C
assign (segid "    " and resid  102 and name   HA) (segid "    " and resid   15 and name  HE1) 3.432 1.414 1.414 ! spec=13C_...OESY, no=140, id=5402
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid  125 and name   HA) 3.432 1.414 1.414 ! spec=13C
! violated assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD22) 3.217 1.242 1.242 ! spec=13C_...OESY, no=150, id=5411
! violated assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD21) 3.217 1.242 1.242 ! spec=13C
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name HD23) 3.217 1.242 1.242 ! spec=13C
assign (segid "    " and resid   65 and name   HZ) (segid "    " and resid  124 and name  HB1) 3.217 1.242 1.242 ! spec=13C
assign (segid "    " and resid   15 and name   HZ) (segid "    " and resid  102 and name  HB1) 3.010 1.087 1.087 ! spec=13C_...OESY, no=156, id=5417
! violated assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   77 and name  HE1) 3.010 1.087 1.087 ! spec=13C
! violated assign (segid "    " and resid   51 and name HG12) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C_...OESY, no=162, id=5423
! violated assign (segid "    " and resid   51 and name HG11) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C
! violated assign (segid "    " and resid   51 and name HG13) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   77 and name   HZ) 3.127 1.174 1.174 ! spec=13C
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid   83 and name HG11) 3.056 1.121 1.121 ! spec=13C_...OESY, no=184, id=5445
assign (segid "    " and resid   86 and name  HD1) (segid "    " and resid  101 and name HG11) 3.056 1.121 1.121 ! spec=13C
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   99 and name  HZ3) 3.197 1.227 1.227 ! spec=13C_...OESY, no=190, id=5451
assign (segid "    " and resid   99 and name  HZ3) (segid "    " and resid   34 and name  HE1) 3.197 1.227 1.227 ! spec=13C
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   99 and name  HZ3) 2.972 1.060 1.060 ! spec=13C_...OESY, no=195, id=5456
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   99 and name  HZ3) 2.972 1.060 1.060 ! spec=13C
! violated assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   99 and name  HZ3) 2.972 1.060 1.060 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HZ3) (segid "    " and resid   93 and name  HG1) 2.972 1.060 1.060 ! spec=13C
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HG1) 2.679 0.861 0.861 ! spec=13C_...OESY, no=198, id=5459
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG22) 2.679 0.861 0.861 ! spec=13C
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG21) 2.679 0.861 0.861 ! spec=13C
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG23) 2.679 0.861 0.861 ! spec=13C
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD22) 2.679 0.861 0.861 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD21) 2.679 0.861 0.861 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD23) 2.679 0.861 0.861 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG22) (segid "    " and resid   86 and name  HZ3) 3.014 1.090 1.090 ! spec=13C_...OESY, no=199, id=5460
assign (segid "    " and resid   82 and name HG21) (segid "    " and resid   86 and name  HZ3) 3.014 1.090 1.090 ! spec=13C
! violated assign (segid "    " and resid   82 and name HG23) (segid "    " and resid   86 and name  HZ3) 3.014 1.090 1.090 ! spec=13C
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD12) 3.014 1.090 1.090 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD11) 3.014 1.090 1.090 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD13) 3.014 1.090 1.090 ! spec=13C
! violated assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   44 and name  HG2) 3.014 1.090 1.090 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   86 and name  HB2) 2.931 1.031 1.031 ! spec=13C_...OESY, no=208, id=5469
! violated assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid  102 and name  HE1) 2.931 1.031 1.031 ! spec=13C
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid  102 and name  HE1) 2.931 1.031 1.031 ! spec=13C
! violated assign (segid "    " and resid   35 and name  HE2) (segid "    " and resid  102 and name  HE1) 2.931 1.031 1.031 ! spec=13C
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid  102 and name  HE1) 2.452 0.721 0.721 ! spec=13C_...OESY, no=210, id=5471
assign (segid "    " and resid  100 and name  HB1) (segid "    " and resid  102 and name  HE1) 2.452 0.721 0.721 ! spec=13C
! violated assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid  102 and name  HE1) 2.488 0.743 0.743 ! spec=13C_...OESY, no=211, id=5472
assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  100 and name  HB2) 2.488 0.743 0.743 ! spec=13C
assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   98 and name   HN) 2.620 0.824 0.824 ! spec=13C_...OESY, no=215, id=5476
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name  HD1) 2.620 0.824 0.824 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   37 and name HG12) 2.757 0.912 0.912 ! spec=13C_...OESY, no=222, id=5483
! violated assign (segid "    " and resid   99 and name  HD1) (segid "    " and resid   93 and name  HG1) 2.757 0.912 0.912 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  100 and name   HN) 2.902 1.010 1.010 ! spec=13C_...OESY, no=227, id=5488
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  102 and name  HE1) 2.902 1.010 1.010 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  102 and name   HA) 3.125 1.172 1.172 ! spec=13C_...OESY, no=228, id=5489
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  125 and name   HA) 3.125 1.172 1.172 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid  127 and name   HA) 3.125 1.172 1.172 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid  128 and name   HA) 3.177 1.211 1.211 ! spec=13C_...OESY, no=229, id=5490
! violated assign (segid "    " and resid  102 and name  HE1) (segid "    " and resid   35 and name   HA) 3.177 1.211 1.211 ! spec=13C
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD22) 2.714 0.884 0.884 ! spec=13C_...OESY, no=230, id=5491
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD21) 2.714 0.884 0.884 ! spec=13C
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD23) 2.714 0.884 0.884 ! spec=13C
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  102 and name  HE1) 2.714 0.884 0.884 ! spec=13C
assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid  129 and name  HE2) 2.511 0.757 0.757 ! spec=13C_...OESY, no=233, id=5494
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name  HD2) 2.511 0.757 0.757 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   35 and name   HN) 3.016 1.092 1.092 ! spec=13C_...OESY, no=235, id=5496
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid  100 and name   HN) 3.016 1.092 1.092 ! spec=13C
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid  129 and name  HD2) 3.016 1.092 1.092 ! spec=13C
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  129 and name  HD2) 3.016 1.092 1.092 ! spec=13C
assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HE3) 2.806 0.945 0.945 ! spec=13C_...OESY, no=237, id=5498
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HE3) 2.806 0.945 0.945 ! spec=13C
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HE3) 2.806 0.945 0.945 ! spec=13C
assign (segid "    " and resid   98 and name HG21) (segid "    " and resid  129 and name  HD2) 2.806 0.945 0.945 ! spec=13C
! violated assign (segid "    " and resid   98 and name HG22) (segid "    " and resid  129 and name  HD2) 2.806 0.945 0.945 ! spec=13C
! violated assign (segid "    " and resid   98 and name HG23) (segid "    " and resid  129 and name  HD2) 2.806 0.945 0.945 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   36 and name   HA) 3.153 1.193 1.193 ! spec=13C_...OESY, no=239, id=5500
assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   93 and name   HA) 3.153 1.193 1.193 ! spec=13C
! violated assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid  131 and name   HA) 3.153 1.193 1.193 ! spec=13C
assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid   98 and name   HA) 2.984 1.068 1.068 ! spec=13C_...OESY, no=247, id=5508
assign (segid "    " and resid   34 and name  HD1) (segid "    " and resid   99 and name  HE3) 2.984 1.068 1.068 ! spec=13C
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C_...OESY, no=250, id=5511
! violated assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C
assign (segid "    " and resid   99 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.589 0.804 0.804 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   36 and name   HB) 3.274 1.286 1.286 ! spec=13C_...OESY, no=251, id=5512
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   92 and name  HB1) 3.274 1.286 1.286 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid  101 and name   HB) 3.274 1.286 1.286 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   28 and name   HG) 3.437 1.418 1.418 ! spec=13C_...OESY, no=252, id=5513
assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   92 and name  HB2) 3.437 1.418 1.418 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   92 and name   HG) 3.437 1.418 1.418 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid  100 and name  HB2) 3.437 1.418 1.418 ! spec=13C
! violated assign (segid "    " and resid  129 and name  HD2) (segid "    " and resid   37 and name   HB) 3.437 1.418 1.418 ! spec=13C
! violated assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   93 and name  HG1) 2.677 0.860 0.860 ! spec=13C_...OESY, no=253, id=5514
! violated assign (segid "    " and resid   89 and name  HB2) (segid "    " and resid   99 and name  HE3) 2.677 0.860 0.860 ! spec=13C
! violated assign (segid "    " and resid   89 and name  HB1) (segid "    " and resid   99 and name  HE3) 2.677 0.860 0.860 ! spec=13C
assign (segid "    " and resid   89 and name  HB3) (segid "    " and resid   99 and name  HE3) 2.677 0.860 0.860 ! spec=13C
assign (segid "    " and resid   99 and name  HE3) (segid "    " and resid   93 and name  HB2) 2.504 0.753 0.753 ! spec=13C_...OESY, no=254, id=5515
! violated assign (segid "    " and resid  101 and name HG22) (segid "    " and resid   99 and name  HE3) 2.504 0.753 0.753 ! spec=13C
assign (segid "    " and resid  101 and name HG21) (segid "    " and resid   99 and name  HE3) 2.504 0.753 0.753 ! spec=13C
! violated assign (segid "    " and resid  101 and name HG23) (segid "    " and resid   99 and name  HE3) 2.504 0.753 0.753 ! spec=13C
! violated assign (segid "    " and resid   34 and name  HE1) (segid "    " and resid   26 and name   HN) 3.159 1.198 1.198 ! spec=13C_...OESY, no=259, id=5520
! violated assign (segid "    " and resid   34 and name  HE1) (segid "    " and resid   34 and name   HN) 3.159 1.198 1.198 ! spec=13C
! violated assign (segid "    " and resid  108 and name  HB2) (segid "    " and resid  109 and name  HE1) 2.854 0.978 0.978 ! spec=13C_...OESY, no=275, id=5536
! violated assign (segid "    " and resid  108 and name  HB1) (segid "    " and resid  109 and name  HE1) 2.854 0.978 0.978 ! spec=13C
! violated assign (segid "    " and resid  108 and name  HB3) (segid "    " and resid  109 and name  HE1) 2.854 0.978 0.978 ! spec=13C
assign (segid "    " and resid  109 and name  HE1) (segid "    " and resid  124 and name  HB2) 2.854 0.978 0.978 ! spec=13C
! violated assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  124 and name   HG) 3.283 1.293 1.293 ! spec=13C_...OESY, no=282, id=5543
! violated assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  128 and name HG11) 3.283 1.293 1.293 ! spec=13C
assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid   58 and name   HN) 3.159 1.197 1.197 ! spec=13C_...OESY, no=283, id=5544
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   55 and name  HD1) 3.159 1.197 1.197 ! spec=13C
! violated assign (segid "    " and resid  102 and name  HD1) (segid "    " and resid  101 and name HG12) 2.617 0.822 0.822 ! spec=13C_...OESY, no=292, id=5553
! violated assign (segid "    " and resid  125 and name HG12) (segid "    " and resid  102 and name  HD1) 2.617 0.822 0.822 ! spec=13C
assign (segid "    " and resid  126 and name  HD1) (segid "    " and resid  126 and name  HE1) 2.734 0.897 0.897 ! spec=13C_...OESY, no=310, id=5571
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  126 and name  HE1) 2.734 0.897 0.897 ! spec=13C
assign (segid "    " and resid  126 and name  HE1) (segid "    " and resid   65 and name  HE1) 3.026 1.099 1.099 ! spec=13C_...OESY, no=314, id=5575
assign (segid "    " and resid  126 and name  HE1) (segid "    " and resid  109 and name  HD1) 3.026 1.099 1.099 ! spec=13C
! violated assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  103 and name   HA) 3.707 1.649 1.649 ! spec=13C_...OESY, no=320, id=5581
! violated assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  109 and name   HA) 3.707 1.649 1.649 ! spec=13C
! violated assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  123 and name   HA) 3.707 1.649 1.649 ! spec=13C
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  108 and name  HB2) 3.427 1.409 1.409 ! spec=13C_...OESY, no=321, id=5582
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  108 and name  HB1) 3.427 1.409 1.409 ! spec=13C
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  108 and name  HB3) 3.427 1.409 1.409 ! spec=13C
assign (segid "    " and resid  126 and name   HZ) (segid "    " and resid  124 and name  HB2) 3.427 1.409 1.409 ! spec=13C
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG12) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG11) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG13) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG22) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG21) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
! violated assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name HG23) 3.188 3.188 2.812 ! spec=15N NOESY, no=15, id=14
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HN) 2.772 0.922 0.922 ! spec=15N NOESY, no=18, id=17
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name   HN) 2.772 0.922 0.922 ! spec=15N NOESY, no=18, id=17
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   52 and name   HB) 3.118 1.166 1.166 ! spec=15N NOESY, no=33, id=32
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  132 and name  HB1) 3.118 1.166 1.166 ! spec=15N NOESY, no=33, id=32
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   53 and name   HB) 3.221 1.245 1.245 ! spec=15N NOESY, no=39, id=38
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   53 and name   HB) 3.221 1.245 1.245 ! spec=15N NOESY, no=39, id=38
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name  HB2) 2.400 0.691 0.691 ! spec=15N NOESY, no=41, id=40
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name HG11) 2.400 0.691 0.691 ! spec=15N NOESY, no=41, id=40
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   51 and name   HB) 3.481 1.454 1.454 ! spec=15N NOESY, no=45, id=44
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   54 and name  HB2) 3.481 1.454 1.454 ! spec=15N NOESY, no=45, id=44
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   74 and name  HB1) 3.481 1.454 1.454 ! spec=15N NOESY, no=45, id=44
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   54 and name  HB2) 3.481 1.454 1.454 ! spec=15N NOESY, no=45, id=44
! violated assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name   HN) 2.806 0.945 0.945 ! spec=15N NOESY, no=47, id=46
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid  100 and name   HN) 2.806 0.945 0.945 ! spec=15N NOESY, no=47, id=46
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   99 and name   HN) 2.806 0.945 0.945 ! spec=15N NOESY, no=47, id=46
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   96 and name  HA1) 3.243 1.262 1.262 ! spec=15N NOESY, no=55, id=54
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   98 and name   HB) 3.243 1.262 1.262 ! spec=15N NOESY, no=55, id=54
! violated assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   35 and name  HE2) 3.323 1.325 1.325 ! spec=15N NOESY, no=57, id=56
! violated assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name  HB1) 3.323 1.325 1.325 ! spec=15N NOESY, no=57, id=56
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG22) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG21) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG23) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG22) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG21) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HG23) 2.482 2.482 3.518 ! spec=15N NOESY, no=62, id=61
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  131 and name HG12) 2.893 2.893 3.107 ! spec=15N NOESY, no=63, id=62
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG12) 2.893 2.893 3.107 ! spec=15N NOESY, no=63, id=62
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG11) 2.893 2.893 3.107 ! spec=15N NOESY, no=63, id=62
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HG13) 2.893 2.893 3.107 ! spec=15N NOESY, no=63, id=62
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   97 and name   HA) 3.619 1.572 1.572 ! spec=15N NOESY, no=65, id=64
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  128 and name   HA) 3.619 1.572 1.572 ! spec=15N NOESY, no=65, id=64
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  132 and name   HA) 3.619 1.572 1.572 ! spec=15N NOESY, no=65, id=64
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   99 and name   HN) 2.848 0.973 0.973 ! spec=15N NOESY, no=67, id=66
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name   HN) 2.848 0.973 0.973 ! spec=15N NOESY, no=67, id=66
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  129 and name  HB2) 3.126 1.173 1.173 ! spec=15N NOESY, no=71, id=70
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  129 and name  HB2) 3.126 1.173 1.173 ! spec=15N NOESY, no=71, id=70
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   93 and name  HG1) 2.596 0.809 0.809 ! spec=15N NOESY, no=73, id=72
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid  130 and name   HG) 2.596 0.809 0.809 ! spec=15N NOESY, no=73, id=72
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  130 and name   HG) 2.596 0.809 0.809 ! spec=15N NOESY, no=73, id=72
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name   HN) 3.123 1.170 1.170 ! spec=15N NOESY, no=74, id=73
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   99 and name   HN) 3.123 1.170 1.170 ! spec=15N NOESY, no=74, id=73
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   99 and name  HE3) 3.341 1.339 1.339 ! spec=15N NOESY, no=76, id=75
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  129 and name  HD2) 3.341 1.339 1.339 ! spec=15N NOESY, no=76, id=75
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   97 and name   HA) 3.713 1.654 1.654 ! spec=15N NOESY, no=81, id=80
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid  128 and name   HA) 3.713 1.654 1.654 ! spec=15N NOESY, no=81, id=80
assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   36 and name   HA) 3.338 1.337 1.337 ! spec=15N NOESY, no=84, id=83
! violated assign (segid "    " and resid   99 and name   HN) (segid "    " and resid   93 and name   HA) 3.338 1.337 1.337 ! spec=15N NOESY, no=84, id=83
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name  HG2) 2.974 1.061 1.061 ! spec=15N NOESY, no=99, id=98
! violated assign (segid "    " and resid  131 and name   HN) (segid "    " and resid   74 and name  HB2) 2.974 1.061 1.061 ! spec=15N NOESY, no=99, id=98
! violated assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  132 and name  HB2) 3.536 1.501 1.501 ! spec=15N NOESY, no=104, id=103
! violated assign (segid "    " and resid  134 and name   HN) (segid "    " and resid  132 and name  HB1) 3.536 1.501 1.501 ! spec=15N NOESY, no=104, id=103
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   97 and name   HN) 3.606 1.561 1.561 ! spec=15N NOESY, no=113, id=112
assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   97 and name   HN) 3.606 1.561 1.561 ! spec=15N NOESY, no=113, id=112
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   43 and name   HA) 3.200 1.229 1.229 ! spec=15N NOESY, no=115, id=114
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   96 and name  HA1) 3.200 1.229 1.229 ! spec=15N NOESY, no=115, id=114
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name   HA) 2.649 0.842 0.842 ! spec=15N NOESY, no=117, id=116
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name   HA) 2.649 0.842 0.842 ! spec=15N NOESY, no=117, id=116
! violated assign (segid "    " and resid  130 and name   HN) (segid "    " and resid   99 and name  HB2) 3.457 1.434 1.434 ! spec=15N NOESY, no=118, id=117
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HE2) 3.457 1.434 1.434 ! spec=15N NOESY, no=118, id=117
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HE1) 3.457 1.434 1.434 ! spec=15N NOESY, no=118, id=117
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   43 and name   HB) 3.103 1.155 1.155 ! spec=15N NOESY, no=120, id=119
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   94 and name  HG1) 3.103 1.155 1.155 ! spec=15N NOESY, no=120, id=119
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HB2) 3.000 1.080 1.080 ! spec=15N NOESY, no=121, id=120
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   44 and name  HD2) 3.000 1.080 1.080 ! spec=15N NOESY, no=121, id=120
assign (segid "    " and resid  131 and name   HN) (segid "    " and resid  131 and name   HB) 2.136 0.548 0.548 ! spec=15N NOESY, no=122, id=121
! violated assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB2) 2.136 0.548 0.548 ! spec=15N NOESY, no=122, id=121
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB1) 2.136 0.548 0.548 ! spec=15N NOESY, no=122, id=121
assign (segid "    " and resid   95 and name   HN) (segid "    " and resid   95 and name  HB3) 2.136 0.548 0.548 ! spec=15N NOESY, no=122, id=121
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HN) 3.119 1.168 1.168 ! spec=15N NOESY, no=139, id=136
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid  100 and name   HN) 3.119 1.168 1.168 ! spec=15N NOESY, no=139, id=136
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   25 and name   HN) 3.360 1.355 1.355 ! spec=15N NOESY, no=140, id=137
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   99 and name  HD1) 3.360 1.355 1.355 ! spec=15N NOESY, no=140, id=137
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   24 and name  HA2) 3.153 1.193 1.193 ! spec=15N NOESY, no=144, id=141
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   25 and name   HA) 3.153 1.193 1.193 ! spec=15N NOESY, no=144, id=141
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name  HB2) 3.288 1.297 1.297 ! spec=15N NOESY, no=146, id=143
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name  HB1) 3.288 1.297 1.297 ! spec=15N NOESY, no=146, id=143
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HE2) 3.288 1.297 1.297 ! spec=15N NOESY, no=146, id=143
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HE1) 3.288 1.297 1.297 ! spec=15N NOESY, no=146, id=143
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   26 and name   HN) 3.362 1.356 1.356 ! spec=15N NOESY, no=152, id=149
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid  100 and name   HN) 3.362 1.356 1.356 ! spec=15N NOESY, no=152, id=149
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   83 and name   HB) 3.202 1.230 1.230 ! spec=15N NOESY, no=155, id=152
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name  HG1) 3.202 1.230 1.230 ! spec=15N NOESY, no=155, id=152
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   98 and name   HN) 3.174 1.209 1.209 ! spec=15N NOESY, no=157, id=153
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name   HN) 3.174 1.209 1.209 ! spec=15N NOESY, no=157, id=153
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   99 and name  HE1) 3.725 1.665 1.665 ! spec=15N NOESY, no=158, id=154
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   39 and name   HN) 3.725 1.665 1.665 ! spec=15N NOESY, no=158, id=154
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   99 and name  HE1) 3.538 1.502 1.502 ! spec=15N NOESY, no=160, id=156
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   41 and name   HN) 3.538 1.502 1.502 ! spec=15N NOESY, no=160, id=156
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HZ2) 2.356 0.666 0.666 ! spec=15N NOESY, no=163, id=159
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HD1) 2.356 0.666 0.666 ! spec=15N NOESY, no=163, id=159
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   34 and name  HE1) 3.694 1.637 1.637 ! spec=15N NOESY, no=165, id=161
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   98 and name   HA) 3.694 1.637 1.637 ! spec=15N NOESY, no=165, id=161
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   39 and name  HB2) 3.530 1.496 1.496 ! spec=15N NOESY, no=171, id=167
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   39 and name  HB1) 3.530 1.496 1.496 ! spec=15N NOESY, no=171, id=167
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   97 and name  HB2) 2.779 0.927 0.927 ! spec=15N NOESY, no=172, id=168
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   36 and name   HA) 2.779 0.927 0.927 ! spec=15N NOESY, no=172, id=168
! violated assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   38 and name  HB1) 3.808 1.740 1.740 ! spec=15N NOESY, no=173, id=169
assign (segid "    " and resid   99 and name  HE1) (segid "    " and resid   99 and name  HB2) 3.808 1.740 1.740 ! spec=15N NOESY, no=173, id=169
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   59 and name   HG) 2.862 0.983 0.983 ! spec=15N NOESY, no=195, id=191
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  122 and name  HB2) 2.862 0.983 0.983 ! spec=15N NOESY, no=195, id=191
assign (segid "    " and resid  123 and name   HN) (segid "    " and resid   60 and name   HB) 3.945 1.868 1.868 ! spec=15N NOESY, no=196, id=192
! violated assign (segid "    " and resid  123 and name   HN) (segid "    " and resid  125 and name   HB) 3.945 1.868 1.868 ! spec=15N NOESY, no=196, id=192
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  134 and name  HB1) 2.108 2.108 3.892 ! spec=15N NOESY, no=214, id=205
assign (segid "    " and resid  135 and name   HN) (segid "    " and resid  135 and name  HB2) 2.108 2.108 3.892 ! spec=15N NOESY, no=214, id=205
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   55 and name  HD1) 3.618 3.618 2.382 ! spec=15N NOESY, no=220, id=211
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  102 and name  HD1) 3.618 3.618 2.382 ! spec=15N NOESY, no=220, id=211
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   55 and name  HD1) 3.618 3.618 2.382 ! spec=15N NOESY, no=220, id=211
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   86 and name  HZ3) 3.919 1.843 1.843 ! spec=15N NOESY, no=221, id=212
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  102 and name  HE1) 3.919 1.843 1.843 ! spec=15N NOESY, no=221, id=212
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   77 and name  HE1) 3.919 1.843 1.843 ! spec=15N NOESY, no=221, id=212
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   86 and name  HZ3) 3.919 1.843 1.843 ! spec=15N NOESY, no=221, id=212
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   86 and name  HH2) 3.422 1.405 1.405 ! spec=15N NOESY, no=222, id=213
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  129 and name  HD2) 3.422 1.405 1.405 ! spec=15N NOESY, no=222, id=213
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   54 and name  HB2) 2.886 1.000 1.000 ! spec=15N NOESY, no=231, id=222
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   69 and name  HB1) 2.886 1.000 1.000 ! spec=15N NOESY, no=231, id=222
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG22) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG21) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG23) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG12) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG11) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG13) 3.002 1.081 1.081 ! spec=15N NOESY, no=233, id=224
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD12) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD11) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD13) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG22) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG21) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG23) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG12) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG11) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG13) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG22) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG21) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG23) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   90 and name HD12) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   90 and name HD11) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   90 and name HD13) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD22) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD21) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD23) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  131 and name HG22) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  131 and name HG21) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  131 and name HG23) 3.511 3.511 2.489 ! spec=15N NOESY, no=234, id=225
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  105 and name  HB1) 3.252 1.269 1.269 ! spec=15N NOESY, no=245, id=236
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  104 and name  HD2) 3.252 1.269 1.269 ! spec=15N NOESY, no=245, id=236
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   84 and name  HB2) 3.120 1.168 1.168 ! spec=15N NOESY, no=248, id=239
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  104 and name  HB2) 3.120 1.168 1.168 ! spec=15N NOESY, no=248, id=239
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG22) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG21) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid   83 and name HG23) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name HD12) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name HD11) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
! violated assign (segid "    " and resid  108 and name   HN) (segid "    " and resid  107 and name HD13) 2.790 2.790 3.210 ! spec=15N NOESY, no=253, id=244
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   98 and name   HA) 3.632 1.583 1.583 ! spec=15N NOESY, no=256, id=247
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  126 and name   HA) 3.632 1.583 1.583 ! spec=15N NOESY, no=256, id=247
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   56 and name   HB) 3.765 1.701 1.701 ! spec=15N NOESY, no=260, id=251
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   98 and name   HB) 3.765 1.701 1.701 ! spec=15N NOESY, no=260, id=251
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   69 and name   HA) 3.765 1.701 1.701 ! spec=15N NOESY, no=260, id=251
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   98 and name   HB) 3.765 1.701 1.701 ! spec=15N NOESY, no=260, id=251
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  100 and name  HB2) 2.839 0.967 0.967 ! spec=15N NOESY, no=262, id=253
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  100 and name  HG1) 2.839 0.967 0.967 ! spec=15N NOESY, no=262, id=253
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name  HB2) 2.839 0.967 0.967 ! spec=15N NOESY, no=262, id=253
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG22) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG21) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  101 and name HG23) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG12) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG11) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   53 and name HG13) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   98 and name HG21) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   98 and name HG22) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   98 and name HG23) 2.871 0.989 0.989 ! spec=15N NOESY, no=264, id=255
assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD12) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD11) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   37 and name HD13) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG22) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG21) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  125 and name HG23) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG12) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG11) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid   51 and name HG13) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD22) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD21) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  129 and name   HN) (segid "    " and resid  130 and name HD23) 3.367 3.367 2.633 ! spec=15N NOESY, no=266, id=257
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   57 and name   HN) 2.870 0.988 0.988 ! spec=15N NOESY, no=270, id=261
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid  127 and name   HN) 2.870 0.988 0.988 ! spec=15N NOESY, no=270, id=261
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name  HB2) 2.609 0.817 0.817 ! spec=15N NOESY, no=281, id=272
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name  HB1) 2.609 0.817 0.817 ! spec=15N NOESY, no=281, id=272
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  131 and name HD12) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  131 and name HD11) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  131 and name HD13) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  125 and name HG22) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  125 and name HG21) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  125 and name HG23) 3.302 1.308 1.308 ! spec=15N NOESY, no=282, id=273
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  128 and name HG22) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  128 and name HG21) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  128 and name HG23) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid  131 and name HG12) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name HG22) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name HG21) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name HG23) 3.792 3.792 2.208 ! spec=15N NOESY, no=288, id=279
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name   HA) 3.404 1.390 1.390 ! spec=15N NOESY, no=292, id=283
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  100 and name   HA) 3.404 1.390 1.390 ! spec=15N NOESY, no=292, id=283
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   57 and name  HA2) 2.954 1.047 1.047 ! spec=15N NOESY, no=293, id=284
! violated assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name   HA) 2.954 1.047 1.047 ! spec=15N NOESY, no=293, id=284
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   52 and name   HB) 3.410 1.395 1.395 ! spec=15N NOESY, no=295, id=286
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HD1) 3.410 1.395 1.395 ! spec=15N NOESY, no=295, id=286
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   76 and name   HB) 3.410 1.395 1.395 ! spec=15N NOESY, no=295, id=286
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HD2) 3.480 1.453 1.453 ! spec=15N NOESY, no=296, id=287
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   55 and name  HB1) 3.480 1.453 1.453 ! spec=15N NOESY, no=296, id=287
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name   HB) 3.285 1.295 1.295 ! spec=15N NOESY, no=297, id=288
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   54 and name  HG2) 3.285 1.295 1.295 ! spec=15N NOESY, no=297, id=288
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   54 and name  HG1) 3.285 1.295 1.295 ! spec=15N NOESY, no=297, id=288
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  127 and name  HB1) 2.571 0.793 0.793 ! spec=15N NOESY, no=298, id=289
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   74 and name  HB1) 2.571 0.793 0.793 ! spec=15N NOESY, no=298, id=289
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid  128 and name HG11) 2.385 2.385 3.615 ! spec=15N NOESY, no=300, id=291
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG21) 2.385 2.385 3.615 ! spec=15N NOESY, no=300, id=291
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG22) 2.385 2.385 3.615 ! spec=15N NOESY, no=300, id=291
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   68 and name HG23) 2.385 2.385 3.615 ! spec=15N NOESY, no=300, id=291
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   52 and name HG21) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   52 and name HG22) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   52 and name HG23) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name HG12) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name HG11) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
! violated assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   53 and name HG13) 2.681 0.863 0.863 ! spec=15N NOESY, no=301, id=292
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  126 and name   HN) 3.240 3.240 2.760 ! spec=15N NOESY, no=306, id=297
assign (segid "    " and resid  127 and name   HN) (segid "    " and resid   58 and name   HN) 3.240 3.240 2.760 ! spec=15N NOESY, no=306, id=297
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  124 and name HD22) 3.514 1.481 1.481 ! spec=15N NOESY, no=317, id=308
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  124 and name HD21) 3.514 1.481 1.481 ! spec=15N NOESY, no=317, id=308
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  124 and name HD23) 3.514 1.481 1.481 ! spec=15N NOESY, no=317, id=308
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  124 and name  HB1) 3.514 1.481 1.481 ! spec=15N NOESY, no=317, id=308
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid  127 and name  HE2) 3.514 1.481 1.481 ! spec=15N NOESY, no=317, id=308
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.625 0.827 0.827 ! spec=15N NOESY, no=318, id=309
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HG2) 2.625 0.827 0.827 ! spec=15N NOESY, no=318, id=309
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HG1) 2.625 0.827 0.827 ! spec=15N NOESY, no=318, id=309
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG12) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG11) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG13) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG22) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG21) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
! violated assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   64 and name HG23) 3.281 3.281 2.719 ! spec=15N NOESY, no=319, id=310
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   48 and name   HN) 3.529 3.529 2.471 ! spec=15N NOESY, no=323, id=314
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   77 and name   HN) 3.529 3.529 2.471 ! spec=15N NOESY, no=323, id=314
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   45 and name   HA) 3.723 1.664 1.664 ! spec=15N NOESY, no=329, id=320
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   80 and name   HA) 3.723 1.664 1.664 ! spec=15N NOESY, no=329, id=320
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name   HA) 3.723 1.664 1.664 ! spec=15N NOESY, no=329, id=320
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid  136 and name   HA) 3.723 1.664 1.664 ! spec=15N NOESY, no=329, id=320
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   80 and name   HA) 3.588 1.545 1.545 ! spec=15N NOESY, no=330, id=321
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name   HA) 3.588 1.545 1.545 ! spec=15N NOESY, no=330, id=321
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   50 and name   HB) 3.378 1.369 1.369 ! spec=15N NOESY, no=332, id=323
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   80 and name  HB2) 3.378 1.369 1.369 ! spec=15N NOESY, no=332, id=323
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   45 and name  HB2) 2.917 1.021 1.021 ! spec=15N NOESY, no=337, id=328
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name  HB1) 2.917 1.021 1.021 ! spec=15N NOESY, no=337, id=328
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG22) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG21) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   51 and name HG23) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   90 and name HD12) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   90 and name HD11) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   90 and name HD13) 3.047 3.047 2.953 ! spec=15N NOESY, no=340, id=331
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   25 and name   HA) 3.371 1.364 1.364 ! spec=15N NOESY, no=346, id=337
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name   HB) 3.371 1.364 1.364 ! spec=15N NOESY, no=346, id=337
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   33 and name  HG2) 3.312 1.316 1.316 ! spec=15N NOESY, no=351, id=342
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid  117 and name  HB1) 3.312 1.316 1.316 ! spec=15N NOESY, no=351, id=342
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid  117 and name  HG1) 3.312 1.316 1.316 ! spec=15N NOESY, no=351, id=342
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   20 and name  HB2) 3.250 1.268 1.268 ! spec=15N NOESY, no=353, id=344
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   20 and name  HB1) 3.250 1.268 1.268 ! spec=15N NOESY, no=353, id=344
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid  117 and name  HG2) 3.250 1.268 1.268 ! spec=15N NOESY, no=353, id=344
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG12) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG11) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG13) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG22) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG21) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name HG23) 2.166 2.166 3.834 ! spec=15N NOESY, no=355, id=346
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name  HB1) 3.576 1.535 1.535 ! spec=15N NOESY, no=360, id=351
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HE2) 3.576 1.535 1.535 ! spec=15N NOESY, no=360, id=351
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   57 and name   HN) 3.342 1.340 1.340 ! spec=15N NOESY, no=364, id=355
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   58 and name   HN) 3.342 1.340 1.340 ! spec=15N NOESY, no=364, id=355
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   20 and name   HA) 3.518 1.485 1.485 ! spec=15N NOESY, no=371, id=362
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   66 and name  HB1) 3.518 1.485 1.485 ! spec=15N NOESY, no=371, id=362
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   58 and name  HB2) 2.942 1.038 1.038 ! spec=15N NOESY, no=375, id=366
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   58 and name  HG2) 2.942 1.038 1.038 ! spec=15N NOESY, no=375, id=366
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   58 and name  HG1) 2.942 1.038 1.038 ! spec=15N NOESY, no=375, id=366
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name HD22) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name HD21) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name HD23) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG21) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG22) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   63 and name HG23) 3.369 1.362 1.362 ! spec=15N NOESY, no=376, id=367
! violated assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   60 and name HG22) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
! violated assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   60 and name HG21) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   60 and name HG23) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD12) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD11) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   16 and name HD13) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   60 and name HG22) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   60 and name HG21) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   60 and name HG23) 3.084 3.084 2.916 ! spec=15N NOESY, no=380, id=371
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  102 and name   HN) 3.048 1.115 1.115 ! spec=15N NOESY, no=381, id=372
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  126 and name   HN) 3.048 1.115 1.115 ! spec=15N NOESY, no=381, id=372
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name   HG) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  101 and name   HB) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  104 and name  HG2) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD22) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD21) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD23) 3.220 1.244 1.244 ! spec=15N NOESY, no=391, id=382
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HG11) 3.348 1.345 1.345 ! spec=15N NOESY, no=393, id=384
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name   HB) 3.348 1.345 1.345 ! spec=15N NOESY, no=393, id=384
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD22) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD21) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid   32 and name HD23) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  108 and name  HB2) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  108 and name  HB1) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  108 and name  HB3) 3.166 1.203 1.203 ! spec=15N NOESY, no=394, id=385
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  101 and name HG12) 2.276 2.276 3.724 ! spec=15N NOESY, no=395, id=386
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  123 and name HG21) 2.276 2.276 3.724 ! spec=15N NOESY, no=395, id=386
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  123 and name HG22) 2.276 2.276 3.724 ! spec=15N NOESY, no=395, id=386
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  123 and name HG23) 2.276 2.276 3.724 ! spec=15N NOESY, no=395, id=386
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD12) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD11) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  124 and name HD13) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HG22) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HG21) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
! violated assign (segid "    " and resid  103 and name   HN) (segid "    " and resid  125 and name HG23) 3.142 3.142 2.858 ! spec=15N NOESY, no=397, id=388
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   34 and name   HN) 3.023 1.097 1.097 ! spec=15N NOESY, no=400, id=391
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name   HN) 3.023 1.097 1.097 ! spec=15N NOESY, no=400, id=391
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  103 and name   HA) 3.732 1.671 1.671 ! spec=15N NOESY, no=408, id=399
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  104 and name  HD1) 3.732 1.671 1.671 ! spec=15N NOESY, no=408, id=399
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  101 and name HG11) 3.248 1.266 1.266 ! spec=15N NOESY, no=415, id=406
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  125 and name   HB) 3.248 1.266 1.266 ! spec=15N NOESY, no=415, id=406
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG22) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG21) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   25 and name HG23) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  125 and name HD12) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  125 and name HD11) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid  125 and name HD13) 3.286 3.286 2.714 ! spec=15N NOESY, no=420, id=411
! violated assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name  HD1) 3.416 1.400 1.400 ! spec=15N NOESY, no=423, id=414
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid   15 and name  HE1) 3.416 1.400 1.400 ! spec=15N NOESY, no=423, id=414
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  109 and name  HD1) 3.416 1.400 1.400 ! spec=15N NOESY, no=423, id=414
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   11 and name   HN) 3.390 1.379 1.379 ! spec=15N NOESY, no=425, id=416
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  105 and name   HN) 3.390 1.379 1.379 ! spec=15N NOESY, no=425, id=416
! violated assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  104 and name  HD2) 3.711 1.652 1.652 ! spec=15N NOESY, no=429, id=420
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  105 and name  HB1) 3.711 1.652 1.652 ! spec=15N NOESY, no=429, id=420
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  108 and name  HB2) 2.817 0.952 0.952 ! spec=15N NOESY, no=432, id=423
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  108 and name  HB1) 2.817 0.952 0.952 ! spec=15N NOESY, no=432, id=423
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  108 and name  HB3) 2.817 0.952 0.952 ! spec=15N NOESY, no=432, id=423
assign (segid "    " and resid  124 and name   HN) (segid "    " and resid  124 and name  HB2) 2.817 0.952 0.952 ! spec=15N NOESY, no=432, id=423
! violated assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2) 2.445 0.717 0.717 ! spec=15N NOESY, no=439, id=430
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB2) 2.445 0.717 0.717 ! spec=15N NOESY, no=439, id=430
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   10 and name   HB) 2.916 2.916 3.084 ! spec=15N NOESY, no=443, id=434
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HG2) 2.916 2.916 3.084 ! spec=15N NOESY, no=443, id=434
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  136 and name   HA) 1.821 1.821 4.179 ! spec=15N NOESY, no=446, id=437
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  137 and name   HA) 1.821 1.821 4.179 ! spec=15N NOESY, no=446, id=437
! violated assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HB2) 2.688 0.867 0.867 ! spec=15N NOESY, no=451, id=442
assign (segid "    " and resid  137 and name   HN) (segid "    " and resid  135 and name  HD2) 2.688 0.867 0.867 ! spec=15N NOESY, no=451, id=442
! violated assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   54 and name   HA) 2.886 0.999 0.999 ! spec=15N NOESY, no=460, id=450
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   67 and name   HA) 2.886 0.999 0.999 ! spec=15N NOESY, no=460, id=450
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   25 and name   HA) 3.589 1.546 1.546 ! spec=15N NOESY, no=478, id=467
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   37 and name   HA) 3.589 1.546 1.546 ! spec=15N NOESY, no=478, id=467
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   25 and name   HA) 3.836 1.765 1.765 ! spec=15N NOESY, no=479, id=468
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   98 and name   HB) 3.836 1.765 1.765 ! spec=15N NOESY, no=479, id=468
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   34 and name  HB2) 2.613 0.819 0.819 ! spec=15N NOESY, no=482, id=471
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   34 and name  HB1) 2.613 0.819 0.819 ! spec=15N NOESY, no=482, id=471
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   99 and name  HB2) 2.613 0.819 0.819 ! spec=15N NOESY, no=482, id=471
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name  HB1) 2.757 0.912 0.912 ! spec=15N NOESY, no=484, id=473
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  100 and name  HG1) 2.757 0.912 0.912 ! spec=15N NOESY, no=484, id=473
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   35 and name  HD2) 2.585 0.802 0.802 ! spec=15N NOESY, no=485, id=474
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  100 and name  HB2) 2.585 0.802 0.802 ! spec=15N NOESY, no=485, id=474
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   98 and name HG21) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   98 and name HG22) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid   98 and name HG23) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
! violated assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG22) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG21) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
assign (segid "    " and resid  100 and name   HN) (segid "    " and resid  101 and name HG23) 3.186 1.218 1.218 ! spec=15N NOESY, no=487, id=476
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name  HD2) 3.063 1.126 1.126 ! spec=15N NOESY, no=496, id=483
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   94 and name   HA) 3.063 1.126 1.126 ! spec=15N NOESY, no=496, id=483
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name  HA1) 3.075 3.075 2.925 ! spec=15N NOESY, no=497, id=484
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name  HD2) 3.075 3.075 2.925 ! spec=15N NOESY, no=497, id=484
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HD2) 2.372 0.675 0.675 ! spec=15N NOESY, no=501, id=488
! violated assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB2) 2.372 0.675 0.675 ! spec=15N NOESY, no=501, id=488
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG12) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG11) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG13) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG22) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG21) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG23) 2.195 2.195 3.805 ! spec=15N NOESY, no=503, id=490
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HG2) 2.632 2.632 3.368 ! spec=15N NOESY, no=504, id=491
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG12) 2.632 2.632 3.368 ! spec=15N NOESY, no=504, id=491
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG11) 2.632 2.632 3.368 ! spec=15N NOESY, no=504, id=491
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid  133 and name HG13) 2.632 2.632 3.368 ! spec=15N NOESY, no=504, id=491
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 2.669 2.669 3.331 ! spec=15N NOESY, no=507, id=493
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   49 and name   HN) 2.669 2.669 3.331 ! spec=15N NOESY, no=507, id=493
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   45 and name   HA) 2.881 0.996 0.996 ! spec=15N NOESY, no=510, id=496
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HA2) 2.881 0.996 0.996 ! spec=15N NOESY, no=510, id=496
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid  135 and name   HA) 2.881 0.996 0.996 ! spec=15N NOESY, no=510, id=496
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid  136 and name   HA) 2.881 0.996 0.996 ! spec=15N NOESY, no=510, id=496
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  113 and name  HB1) 2.593 0.807 0.807 ! spec=15N NOESY, no=511, id=497
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name  HB2) 2.593 0.807 0.807 ! spec=15N NOESY, no=511, id=497
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name  HA1) 2.857 0.980 0.980 ! spec=15N NOESY, no=512, id=498
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   47 and name   HA) 2.857 0.980 0.980 ! spec=15N NOESY, no=512, id=498
assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  114 and name   HB) 2.875 0.992 0.992 ! spec=15N NOESY, no=516, id=502
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  118 and name   HB) 2.875 0.992 0.992 ! spec=15N NOESY, no=516, id=502
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid  133 and name HG12) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid  133 and name HG11) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
! violated assign (segid "    " and resid   49 and name   HN) (segid "    " and resid  133 and name HG13) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  124 and name HD12) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  124 and name HD11) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
! violated assign (segid "    " and resid  114 and name   HN) (segid "    " and resid  124 and name HD13) 2.892 2.892 3.108 ! spec=15N NOESY, no=519, id=505
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name  HG1) 3.683 1.628 1.628 ! spec=15N NOESY, no=527, id=513
! violated assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   29 and name  HB1) 3.683 1.628 1.628 ! spec=15N NOESY, no=527, id=513
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name  HB2) 2.360 0.669 0.669 ! spec=15N NOESY, no=528, id=514
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB1) 2.360 0.669 0.669 ! spec=15N NOESY, no=528, id=514
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name HG12) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name HG11) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name HG13) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD12) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD11) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   28 and name HD13) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD12) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD11) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name HD13) 2.469 2.469 3.531 ! spec=15N NOESY, no=538, id=524
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB2) 2.284 0.626 0.626 ! spec=15N NOESY, no=551, id=537
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HG1) 2.284 0.626 0.626 ! spec=15N NOESY, no=551, id=537
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG12) 3.545 1.508 1.508 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG11) 3.545 1.508 1.508 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  114 and name HG13) 3.545 1.508 1.508 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  118 and name HG12) 3.545 1.508 1.508 ! spec=15N NOESY, no=558, id=544
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  105 and name  HB1) 3.432 1.413 1.413 ! spec=15N NOESY, no=564, id=550
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  110 and name  HA1) 3.432 1.413 1.413 ! spec=15N NOESY, no=564, id=550
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name  HB1) 3.688 1.632 1.632 ! spec=15N NOESY, no=567, id=553
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HB1) 3.688 1.632 1.632 ! spec=15N NOESY, no=567, id=553
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name   HA) 3.360 1.355 1.355 ! spec=15N NOESY, no=572, id=557
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HA) 3.360 1.355 1.355 ! spec=15N NOESY, no=572, id=557
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name   HA) 2.479 2.479 3.521 ! spec=15N NOESY, no=573, id=558
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name   HA) 2.479 2.479 3.521 ! spec=15N NOESY, no=573, id=558
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    2 and name  HB1) 3.374 1.366 1.366 ! spec=15N NOESY, no=575, id=560
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name  HE2) 3.374 1.366 1.366 ! spec=15N NOESY, no=575, id=560
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    2 and name  HB2) 3.004 3.004 2.996 ! spec=15N NOESY, no=576, id=561
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name  HB2) 3.004 3.004 2.996 ! spec=15N NOESY, no=576, id=561
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name  HB1) 3.004 3.004 2.996 ! spec=15N NOESY, no=576, id=561
! violated assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HB1) 3.120 1.168 1.168 ! spec=15N NOESY, no=577, id=562
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HG1) 3.120 1.168 1.168 ! spec=15N NOESY, no=577, id=562
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB1) 2.367 0.672 0.672 ! spec=15N NOESY, no=579, id=564
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid  120 and name  HG2) 2.367 0.672 0.672 ! spec=15N NOESY, no=579, id=564
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB2) 2.646 0.840 0.840 ! spec=15N NOESY, no=584, id=569
! violated assign (segid "    " and resid    9 and name   HN) (segid "    " and resid  121 and name  HB2) 2.646 0.840 0.840 ! spec=15N NOESY, no=584, id=569
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name   HA) 3.839 1.768 1.768 ! spec=15N NOESY, no=588, id=573
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid   57 and name  HA2) 3.839 1.768 1.768 ! spec=15N NOESY, no=588, id=573
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name  HB2) 3.685 1.629 1.629 ! spec=15N NOESY, no=590, id=575
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    6 and name  HB2) 3.685 1.629 1.629 ! spec=15N NOESY, no=590, id=575
! violated assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    6 and name  HB1) 3.685 1.629 1.629 ! spec=15N NOESY, no=590, id=575
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid  102 and name  HB2) 3.685 1.629 1.629 ! spec=15N NOESY, no=590, id=575
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB2) 2.330 0.651 0.651 ! spec=15N NOESY, no=591, id=576
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB1) 2.330 0.651 0.651 ! spec=15N NOESY, no=591, id=576
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HE21) 3.125 3.125 2.875 ! spec=15N NOESY, no=596, id=581
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid  102 and name  HD1) 3.125 3.125 2.875 ! spec=15N NOESY, no=596, id=581
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   19 and name HD21) 3.221 1.245 1.245 ! spec=15N NOESY, no=599, id=584
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid  102 and name  HB1) 3.221 1.245 1.245 ! spec=15N NOESY, no=599, id=584
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD12) 2.567 0.791 0.791 ! spec=15N NOESY, no=600, id=585
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD11) 2.567 0.791 0.791 ! spec=15N NOESY, no=600, id=585
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name HD13) 2.567 0.791 0.791 ! spec=15N NOESY, no=600, id=585
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid  101 and name HG12) 2.567 0.791 0.791 ! spec=15N NOESY, no=600, id=585
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name HD22) 3.502 1.472 1.472 ! spec=15N NOESY, no=607, id=592
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   41 and name HD22) 3.502 1.472 1.472 ! spec=15N NOESY, no=607, id=592
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HB2) 2.665 0.852 0.852 ! spec=15N NOESY, no=610, id=595
assign (segid "    " and resid  109 and name   HN) (segid "    " and resid  109 and name  HB2) 2.665 0.852 0.852 ! spec=15N NOESY, no=610, id=595
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG22) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG21) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HG23) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid   83 and name HG22) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid   83 and name HG21) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid   83 and name HG23) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid  109 and name   HN) (segid "    " and resid   83 and name HG12) 2.761 0.915 0.915 ! spec=15N NOESY, no=611, id=596
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   34 and name  HB2) 2.963 1.054 1.054 ! spec=15N NOESY, no=615, id=600
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   34 and name  HB1) 2.963 1.054 1.054 ! spec=15N NOESY, no=615, id=600
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name  HB1) 2.963 1.054 1.054 ! spec=15N NOESY, no=615, id=600
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    9 and name  HE2) 2.963 1.054 1.054 ! spec=15N NOESY, no=615, id=600
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name  HE2) 2.963 1.054 1.054 ! spec=15N NOESY, no=615, id=600
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   15 and name  HD1) 3.748 1.686 1.686 ! spec=15N NOESY, no=620, id=605
! violated assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   15 and name  HE1) 3.748 1.686 1.686 ! spec=15N NOESY, no=620, id=605
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   15 and name  HD1) 3.748 1.686 1.686 ! spec=15N NOESY, no=620, id=605
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HN) 2.467 0.731 0.731 ! spec=15N NOESY, no=626, id=610
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 2.467 0.731 0.731 ! spec=15N NOESY, no=626, id=610
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   13 and name  HG1) 3.098 1.152 1.152 ! spec=15N NOESY, no=638, id=622
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   13 and name  HG1) 3.098 1.152 1.152 ! spec=15N NOESY, no=638, id=622
! violated assign (segid "    " and resid  125 and name   HN) (segid "    " and resid   57 and name  HA1) 3.098 1.152 1.152 ! spec=15N NOESY, no=638, id=622
! violated assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  103 and name   HB) 3.098 1.152 1.152 ! spec=15N NOESY, no=638, id=622
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB1) 2.440 0.715 0.715 ! spec=15N NOESY, no=639, id=623
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HG) 2.440 0.715 0.715 ! spec=15N NOESY, no=639, id=623
! violated assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name  HG2) 2.301 0.635 0.635 ! spec=15N NOESY, no=640, id=624
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HD2) 2.301 0.635 0.635 ! spec=15N NOESY, no=640, id=624
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG12) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG11) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG13) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD22) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD21) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD23) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HG12) 2.366 2.366 3.634 ! spec=15N NOESY, no=642, id=626
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  124 and name HD12) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  124 and name HD11) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  124 and name HD13) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD12) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD11) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HD13) 2.375 2.375 3.625 ! spec=15N NOESY, no=644, id=628
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB1) 2.233 0.598 0.598 ! spec=15N NOESY, no=652, id=636
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB2) 2.233 0.598 0.598 ! spec=15N NOESY, no=652, id=636
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    4 and name  HG1) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name  HD2) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid    9 and name  HG1) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name  HB2) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name  HB1) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name  HB3) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   60 and name   HB) 2.654 2.654 3.346 ! spec=15N NOESY, no=653, id=637
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   10 and name HG12) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   10 and name HG11) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   10 and name HG13) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name HG12) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name HG11) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name HG13) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   16 and name HD22) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   16 and name HD21) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
! violated assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   16 and name HD23) 2.754 2.754 3.246 ! spec=15N NOESY, no=654, id=638
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   86 and name  HZ2) 3.022 1.096 1.096 ! spec=15N NOESY, no=656, id=640
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   91 and name   HN) 3.022 1.096 1.096 ! spec=15N NOESY, no=656, id=640
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   90 and name   HA) 2.545 0.777 0.777 ! spec=15N NOESY, no=658, id=642
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name   HA) 2.545 0.777 0.777 ! spec=15N NOESY, no=658, id=642
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG22) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG21) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG23) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD22) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD21) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   90 and name HD23) 2.506 0.754 0.754 ! spec=15N NOESY, no=662, id=646
assign (segid "    " and resid   93 and name   HN) (segid "    " and resid   93 and name  HB2) 2.479 0.738 0.738 ! spec=15N NOESY, no=663, id=647
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG12) 2.479 0.738 0.738 ! spec=15N NOESY, no=663, id=647
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG11) 2.479 0.738 0.738 ! spec=15N NOESY, no=663, id=647
! violated assign (segid "    " and resid   86 and name  HZ3) (segid "    " and resid   53 and name HG13) 2.479 0.738 0.738 ! spec=15N NOESY, no=663, id=647
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    9 and name   HA) 2.978 1.064 1.064 ! spec=15N NOESY, no=668, id=652
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   12 and name  HA2) 2.978 1.064 1.064 ! spec=15N NOESY, no=668, id=652
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   12 and name  HA2) 2.978 1.064 1.064 ! spec=15N NOESY, no=668, id=652
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HB) 2.978 1.064 1.064 ! spec=15N NOESY, no=668, id=652
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 2.359 0.668 0.668 ! spec=15N NOESY, no=669, id=653
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   13 and name   HA) 2.359 0.668 0.668 ! spec=15N NOESY, no=669, id=653
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    7 and name  HG1) 3.663 1.610 1.610 ! spec=15N NOESY, no=672, id=656
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   13 and name  HG2) 3.663 1.610 1.610 ! spec=15N NOESY, no=672, id=656
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HB) 2.290 0.629 0.629 ! spec=15N NOESY, no=673, id=657
! violated assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HG) 2.290 0.629 0.629 ! spec=15N NOESY, no=673, id=657
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.304 0.637 0.637 ! spec=15N NOESY, no=674, id=658
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB1) 2.304 0.637 0.637 ! spec=15N NOESY, no=674, id=658
! violated assign (segid "    " and resid  125 and name   HN) (segid "    " and resid  125 and name HG12) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG12) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG11) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG13) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG22) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG21) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG23) 2.454 0.723 0.723 ! spec=15N NOESY, no=676, id=660
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   43 and name   HA) 3.640 3.640 2.360 ! spec=15N NOESY, no=677, id=661
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   45 and name  HD1) 3.640 3.640 2.360 ! spec=15N NOESY, no=677, id=661
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name   HA) 3.223 1.246 1.246 ! spec=15N NOESY, no=683, id=667
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   78 and name   HA) 3.223 1.246 1.246 ! spec=15N NOESY, no=683, id=667
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   51 and name   HA) 3.223 1.246 1.246 ! spec=15N NOESY, no=683, id=667
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   82 and name   HA) 3.856 1.784 1.784 ! spec=15N NOESY, no=685, id=669
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid  130 and name   HA) 3.856 1.784 1.784 ! spec=15N NOESY, no=685, id=669
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   45 and name   HA) 3.856 1.784 1.784 ! spec=15N NOESY, no=685, id=669
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name   HA) 3.856 1.784 1.784 ! spec=15N NOESY, no=685, id=669
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  135 and name   HA) 3.856 1.784 1.784 ! spec=15N NOESY, no=685, id=669
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   53 and name   HB) 3.590 1.546 1.546 ! spec=15N NOESY, no=689, id=673
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   78 and name  HG2) 3.590 1.546 1.546 ! spec=15N NOESY, no=689, id=673
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   78 and name  HG1) 3.590 1.546 1.546 ! spec=15N NOESY, no=689, id=673
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   81 and name  HB2) 3.590 1.546 1.546 ! spec=15N NOESY, no=689, id=673
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB2) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB1) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB3) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   82 and name   HB) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  134 and name  HB2) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  134 and name  HD2) 3.272 1.285 1.285 ! spec=15N NOESY, no=691, id=675
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HG22) 3.469 3.469 2.531 ! spec=15N NOESY, no=692, id=676
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HG21) 3.469 3.469 2.531 ! spec=15N NOESY, no=692, id=676
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HG23) 3.469 3.469 2.531 ! spec=15N NOESY, no=692, id=676
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name   HG) 3.469 3.469 2.531 ! spec=15N NOESY, no=692, id=676
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG21) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG22) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   50 and name HG23) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   43 and name HG22) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   43 and name HG21) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   43 and name HG23) 2.194 2.194 3.806 ! spec=15N NOESY, no=693, id=677
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD22) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD21) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name HD23) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG22) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG21) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG23) 3.032 1.104 1.104 ! spec=15N NOESY, no=694, id=678
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   45 and name  HG1) 3.187 3.187 2.813 ! spec=15N NOESY, no=697, id=681
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   78 and name  HB2) 3.187 3.187 2.813 ! spec=15N NOESY, no=697, id=681
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid   45 and name  HG1) 3.187 3.187 2.813 ! spec=15N NOESY, no=697, id=681
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name  HB1) 3.187 3.187 2.813 ! spec=15N NOESY, no=697, id=681
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  135 and name  HB1) 3.187 3.187 2.813 ! spec=15N NOESY, no=697, id=681
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   53 and name HG22) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   53 and name HG21) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   53 and name HG23) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   90 and name HD22) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   90 and name HD21) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   90 and name HD23) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  130 and name   HG) 3.470 3.470 2.530 ! spec=15N NOESY, no=699, id=683
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN) 2.163 0.561 0.561 ! spec=15N NOESY, no=701, id=685
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name   HN) 2.163 0.561 0.561 ! spec=15N NOESY, no=701, id=685
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   20 and name   HN) 3.049 1.115 1.115 ! spec=15N NOESY, no=704, id=688
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   21 and name   HN) 3.049 1.115 1.115 ! spec=15N NOESY, no=704, id=688
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HA) 2.363 0.670 0.670 ! spec=15N NOESY, no=705, id=689
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HB) 2.363 0.670 0.670 ! spec=15N NOESY, no=705, id=689
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  110 and name  HA2) 2.363 0.670 0.670 ! spec=15N NOESY, no=705, id=689
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   21 and name  HB1) 3.697 1.640 1.640 ! spec=15N NOESY, no=709, id=693
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   22 and name  HE1) 3.697 1.640 1.640 ! spec=15N NOESY, no=709, id=693
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HB2) 2.584 0.802 0.802 ! spec=15N NOESY, no=713, id=697
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HG1) 2.584 0.802 0.802 ! spec=15N NOESY, no=713, id=697
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG2) 2.584 0.802 0.802 ! spec=15N NOESY, no=713, id=697
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.127 0.543 0.543 ! spec=15N NOESY, no=714, id=698
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  112 and name  HB2) 2.127 0.543 0.543 ! spec=15N NOESY, no=714, id=698
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB2) 2.746 2.746 3.254 ! spec=15N NOESY, no=715, id=699
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB1) 2.746 2.746 3.254 ! spec=15N NOESY, no=715, id=699
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   14 and name  HB3) 2.746 2.746 3.254 ! spec=15N NOESY, no=715, id=699
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   16 and name  HB2) 2.746 2.746 3.254 ! spec=15N NOESY, no=715, id=699
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB2) 2.746 2.746 3.254 ! spec=15N NOESY, no=715, id=699
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HA2) 2.319 0.645 0.645 ! spec=15N NOESY, no=722, id=706
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HA) 2.319 0.645 0.645 ! spec=15N NOESY, no=722, id=706
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   23 and name  HD1) 3.334 1.334 1.334 ! spec=15N NOESY, no=723, id=707
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HA) 3.334 1.334 1.334 ! spec=15N NOESY, no=723, id=707
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  102 and name  HE1) 3.531 1.496 1.496 ! spec=15N NOESY, no=736, id=720
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid   15 and name   HZ) 3.531 1.496 1.496 ! spec=15N NOESY, no=736, id=720
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid   86 and name  HZ2) 3.853 1.782 1.782 ! spec=15N NOESY, no=737, id=721
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid   86 and name  HD1) 3.853 1.782 1.782 ! spec=15N NOESY, no=737, id=721
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  100 and name  HG1) 3.008 3.008 2.992 ! spec=15N NOESY, no=743, id=727
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name   HB) 3.008 3.008 2.992 ! spec=15N NOESY, no=743, id=727
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  127 and name  HB1) 3.008 3.008 2.992 ! spec=15N NOESY, no=743, id=727
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  127 and name  HE2) 3.008 3.008 2.992 ! spec=15N NOESY, no=743, id=727
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  127 and name  HE1) 3.008 3.008 2.992 ! spec=15N NOESY, no=743, id=727
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD12) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD11) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HD13) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HG22) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HG21) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  125 and name HG23) 2.443 2.443 3.557 ! spec=15N NOESY, no=747, id=731
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG12) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG11) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
! violated assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   51 and name HG13) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG22) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG21) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  133 and name HG23) 2.254 0.610 0.610 ! spec=15N NOESY, no=757, id=741
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name   HN) 2.849 0.974 0.974 ! spec=15N NOESY, no=758, id=742
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  113 and name   HN) 2.849 0.974 0.974 ! spec=15N NOESY, no=758, id=742
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  110 and name  HA2) 2.446 0.718 0.718 ! spec=15N NOESY, no=759, id=743
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  112 and name   HA) 2.446 0.718 0.718 ! spec=15N NOESY, no=759, id=743
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HB) 2.446 0.718 0.718 ! spec=15N NOESY, no=759, id=743
! violated assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   22 and name  HE2) 3.907 1.832 1.832 ! spec=15N NOESY, no=763, id=747
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  109 and name  HB2) 3.907 1.832 1.832 ! spec=15N NOESY, no=763, id=747
! violated assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  121 and name  HB2) 3.907 1.832 1.832 ! spec=15N NOESY, no=763, id=747
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG21) 3.788 1.722 1.722 ! spec=15N NOESY, no=767, id=751
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG22) 3.788 1.722 1.722 ! spec=15N NOESY, no=767, id=751
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG23) 3.788 1.722 1.722 ! spec=15N NOESY, no=767, id=751
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   20 and name  HG2) 3.788 1.722 1.722 ! spec=15N NOESY, no=767, id=751
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   35 and name  HG2) 3.298 1.306 1.306 ! spec=15N NOESY, no=770, id=754
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   35 and name  HG1) 3.298 1.306 1.306 ! spec=15N NOESY, no=770, id=754
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   48 and name   HA) 3.813 1.744 1.744 ! spec=15N NOESY, no=778, id=762
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name   HA) 3.813 1.744 1.744 ! spec=15N NOESY, no=778, id=762
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   77 and name   HA) 3.813 1.744 1.744 ! spec=15N NOESY, no=778, id=762
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name  HB2) 2.414 0.699 0.699 ! spec=15N NOESY, no=784, id=768
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name  HG2) 2.414 0.699 0.699 ! spec=15N NOESY, no=784, id=768
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG21) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG22) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG23) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG22) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG21) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG23) 3.329 3.329 2.671 ! spec=15N NOESY, no=787, id=771
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   51 and name HG12) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   51 and name HG11) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   51 and name HG13) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG22) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG21) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HG23) 2.806 2.806 3.194 ! spec=15N NOESY, no=788, id=772
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG21) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG22) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   50 and name HG23) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
! violated assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG12) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG11) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name HG13) 3.206 3.206 2.794 ! spec=15N NOESY, no=792, id=776
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name  HB1) 3.196 1.226 1.226 ! spec=15N NOESY, no=807, id=791
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   70 and name  HB2) 3.196 1.226 1.226 ! spec=15N NOESY, no=807, id=791
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HB2) 3.564 1.524 1.524 ! spec=15N NOESY, no=809, id=793
assign (segid "    " and resid  112 and name   HN) (segid "    " and resid  111 and name  HG1) 3.564 1.524 1.524 ! spec=15N NOESY, no=809, id=793
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   68 and name   HB) 2.936 2.936 3.064 ! spec=15N NOESY, no=811, id=795
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name   HA) 2.936 2.936 3.064 ! spec=15N NOESY, no=811, id=795
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   69 and name   HA) 2.477 0.736 0.736 ! spec=15N NOESY, no=813, id=797
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   72 and name  HA2) 2.477 0.736 0.736 ! spec=15N NOESY, no=813, id=797
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   69 and name  HB2) 3.166 3.166 2.834 ! spec=15N NOESY, no=816, id=800
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   69 and name  HB1) 3.166 3.166 2.834 ! spec=15N NOESY, no=816, id=800
! violated assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   70 and name  HB2) 3.166 3.166 2.834 ! spec=15N NOESY, no=816, id=800
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG21) 2.300 2.300 3.700 ! spec=15N NOESY, no=819, id=803
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG22) 2.300 2.300 3.700 ! spec=15N NOESY, no=819, id=803
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   71 and name HG23) 2.300 2.300 3.700 ! spec=15N NOESY, no=819, id=803
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HG2) 2.300 2.300 3.700 ! spec=15N NOESY, no=819, id=803
! violated assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HN) 2.914 1.019 1.019 ! spec=15N NOESY, no=820, id=804
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   35 and name   HN) 2.914 1.019 1.019 ! spec=15N NOESY, no=820, id=804
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   56 and name   HB) 3.270 1.283 1.283 ! spec=15N NOESY, no=822, id=806
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name   HA) 3.270 1.283 1.283 ! spec=15N NOESY, no=822, id=806
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG22) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG21) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HG23) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   79 and name HG22) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   79 and name HG21) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   79 and name HG23) 3.936 3.936 2.064 ! spec=15N NOESY, no=824, id=808
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name  HD1) 2.907 2.907 3.093 ! spec=15N NOESY, no=826, id=810
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HE21) 2.907 2.907 3.093 ! spec=15N NOESY, no=826, id=810
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name   HA) 2.776 0.925 0.925 ! spec=15N NOESY, no=829, id=813
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   49 and name   HA) 2.776 0.925 0.925 ! spec=15N NOESY, no=829, id=813
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   81 and name  HB2) 2.628 0.829 0.829 ! spec=15N NOESY, no=832, id=816
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   81 and name  HG2) 2.628 0.829 0.829 ! spec=15N NOESY, no=832, id=816
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG22) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG21) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   82 and name HG23) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   90 and name HD12) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   90 and name HD11) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   90 and name HD13) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG12) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG11) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG13) 3.313 3.313 2.687 ! spec=15N NOESY, no=836, id=820
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HD1) 2.532 2.532 3.468 ! spec=15N NOESY, no=840, id=824
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid    8 and name HD21) 2.532 2.532 3.468 ! spec=15N NOESY, no=840, id=824
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   13 and name  HG1) 3.665 1.612 1.612 ! spec=15N NOESY, no=846, id=830
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   19 and name  HB1) 3.665 1.612 1.612 ! spec=15N NOESY, no=846, id=830
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name HD22) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name HD21) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name HD23) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid  123 and name HG21) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid  123 and name HG22) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid  123 and name HG23) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   59 and name HD22) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   59 and name HD21) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   59 and name HD23) 2.947 2.947 3.053 ! spec=15N NOESY, no=849, id=833
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG22) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG21) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HG23) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG22) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG21) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  118 and name HG23) 2.602 2.602 3.398 ! spec=15N NOESY, no=850, id=834
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   60 and name HD12) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   60 and name HD11) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid   60 and name HD13) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG22) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG21) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
assign (segid "    " and resid  122 and name   HN) (segid "    " and resid  114 and name HG23) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HD12) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HD11) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   60 and name HD13) 3.039 3.039 2.961 ! spec=15N NOESY, no=851, id=835
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   63 and name   HA) 3.919 1.843 1.843 ! spec=15N NOESY, no=862, id=846
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid  117 and name  HD2) 3.919 1.843 1.843 ! spec=15N NOESY, no=862, id=846
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid  117 and name  HD1) 3.919 1.843 1.843 ! spec=15N NOESY, no=862, id=846
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   57 and name  HA1) 3.010 1.087 1.087 ! spec=15N NOESY, no=866, id=850
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 3.010 1.087 1.087 ! spec=15N NOESY, no=866, id=850
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   59 and name  HB2) 3.138 3.138 2.862 ! spec=15N NOESY, no=867, id=851
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name   HB) 3.138 3.138 2.862 ! spec=15N NOESY, no=867, id=851
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG21) 2.858 2.858 3.142 ! spec=15N NOESY, no=868, id=852
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG22) 2.858 2.858 3.142 ! spec=15N NOESY, no=868, id=852
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   56 and name HG23) 2.858 2.858 3.142 ! spec=15N NOESY, no=868, id=852
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   58 and name  HG2) 2.858 2.858 3.142 ! spec=15N NOESY, no=868, id=852
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid  124 and name  HB2) 2.858 2.858 3.142 ! spec=15N NOESY, no=868, id=852
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 2.958 1.050 1.050 ! spec=15N NOESY, no=880, id=864
! violated assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG1) 2.958 1.050 1.050 ! spec=15N NOESY, no=880, id=864
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid    8 and name HD21) 3.072 1.132 1.132 ! spec=15N NOESY, no=882, id=866
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name   HN) 3.072 1.132 1.132 ! spec=15N NOESY, no=882, id=866
! violated assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG22) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG21) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
assign (segid "    " and resid  119 and name   HN) (segid "    " and resid  118 and name HG23) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
! violated assign (segid "    " and resid  119 and name   HN) (segid "    " and resid   59 and name HD12) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
! violated assign (segid "    " and resid  119 and name   HN) (segid "    " and resid   59 and name HD11) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
! violated assign (segid "    " and resid  119 and name   HN) (segid "    " and resid   59 and name HD13) 2.736 0.898 0.898 ! spec=15N NOESY, no=888, id=872
! violated assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name   HN) 3.010 1.087 1.087 ! spec=15N NOESY, no=890, id=874
assign (segid "    " and resid  136 and name   HN) (segid "    " and resid   50 and name   HN) 3.010 1.087 1.087 ! spec=15N NOESY, no=890, id=874
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB2) 2.359 0.668 0.668 ! spec=15N NOESY, no=900, id=884
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  135 and name  HB2) 2.359 0.668 0.668 ! spec=15N NOESY, no=900, id=884
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.661 0.850 0.850 ! spec=15N NOESY, no=907, id=891
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  107 and name   HA) 2.661 0.850 0.850 ! spec=15N NOESY, no=907, id=891
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  105 and name   HA) 2.982 1.067 1.067 ! spec=15N NOESY, no=909, id=893
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HA) 2.982 1.067 1.067 ! spec=15N NOESY, no=909, id=893
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.607 0.816 0.816 ! spec=15N NOESY, no=910, id=894
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  106 and name  HA1) 2.607 0.816 0.816 ! spec=15N NOESY, no=910, id=894
! violated assign (segid "    " and resid  107 and name   HN) (segid "    " and resid   84 and name  HD2) 3.558 1.519 1.519 ! spec=15N NOESY, no=912, id=896
! violated assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  105 and name  HB2) 3.558 1.519 1.519 ! spec=15N NOESY, no=912, id=896
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG1) 3.082 1.140 1.140 ! spec=15N NOESY, no=913, id=897
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  104 and name  HB1) 3.082 1.140 1.140 ! spec=15N NOESY, no=913, id=897
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HB1) 3.491 1.463 1.463 ! spec=15N NOESY, no=914, id=898
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG2) 3.491 1.463 1.463 ! spec=15N NOESY, no=914, id=898
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HB1) 3.491 1.463 1.463 ! spec=15N NOESY, no=914, id=898
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   45 and name  HD2) 3.745 1.683 1.683 ! spec=15N NOESY, no=921, id=905
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   76 and name   HB) 3.745 1.683 1.683 ! spec=15N NOESY, no=921, id=905
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid  134 and name  HB1) 3.346 1.344 1.344 ! spec=15N NOESY, no=924, id=908
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   45 and name  HG1) 3.346 1.344 1.344 ! spec=15N NOESY, no=924, id=908
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   45 and name  HG2) 3.608 1.562 1.562 ! spec=15N NOESY, no=925, id=909
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid  134 and name  HB2) 3.608 1.562 1.562 ! spec=15N NOESY, no=925, id=909
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   78 and name   HA) 2.594 0.807 0.807 ! spec=15N NOESY, no=930, id=914
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name   HA) 2.594 0.807 0.807 ! spec=15N NOESY, no=930, id=914
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG22) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG21) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name HG23) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   90 and name HD12) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   90 and name HD11) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   90 and name HD13) 2.601 2.601 3.399 ! spec=15N NOESY, no=939, id=923
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 2.414 0.699 0.699 ! spec=15N NOESY, no=941, id=925
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name   HA) 2.414 0.699 0.699 ! spec=15N NOESY, no=941, id=925
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD22) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD21) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD23) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   10 and name HG12) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   10 and name HG11) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   10 and name HG13) 2.594 2.594 3.406 ! spec=15N NOESY, no=944, id=928
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD12) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD11) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   16 and name HD13) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   60 and name HG22) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   60 and name HG21) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid   60 and name HG23) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  107 and name HD12) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  107 and name HD11) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  107 and name HD13) 3.225 3.225 2.775 ! spec=15N NOESY, no=945, id=929
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   85 and name  HA1) 2.865 0.985 0.985 ! spec=15N NOESY, no=949, id=933
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   87 and name   HA) 2.865 0.985 0.985 ! spec=15N NOESY, no=949, id=933
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    2 and name  HB1) 3.686 1.630 1.630 ! spec=15N NOESY, no=955, id=939
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid  121 and name  HB2) 3.686 1.630 1.630 ! spec=15N NOESY, no=955, id=939
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG1) 3.499 1.469 1.469 ! spec=15N NOESY, no=956, id=940
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   91 and name  HG1) 3.499 1.469 1.469 ! spec=15N NOESY, no=956, id=940
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG2) 2.773 0.923 0.923 ! spec=15N NOESY, no=957, id=941
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HB1) 2.773 0.923 0.923 ! spec=15N NOESY, no=957, id=941
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   88 and name   HA) 2.808 0.946 0.946 ! spec=15N NOESY, no=961, id=945
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.808 0.946 0.946 ! spec=15N NOESY, no=961, id=945
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    3 and name  HB1) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name  HB2) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name  HB1) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HB2) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid  120 and name  HG2) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   32 and name   HG) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
! violated assign (segid "    " and resid  107 and name   HN) (segid "    " and resid   84 and name  HB2) 2.706 0.878 0.878 ! spec=15N NOESY, no=962, id=946
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    8 and name   HN) 3.148 1.189 1.189 ! spec=15N NOESY, no=963, id=947
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  105 and name   HN) 3.148 1.189 1.189 ! spec=15N NOESY, no=963, id=947
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    4 and name   HA) 2.982 1.067 1.067 ! spec=15N NOESY, no=967, id=951
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  105 and name   HA) 2.982 1.067 1.067 ! spec=15N NOESY, no=967, id=951
assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   85 and name  HA2) 3.051 1.117 1.117 ! spec=15N NOESY, no=968, id=952
assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  105 and name   HA) 3.051 1.117 1.117 ! spec=15N NOESY, no=968, id=952
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HA) 3.051 1.117 1.117 ! spec=15N NOESY, no=968, id=952
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    2 and name  HB1) 3.351 1.348 1.348 ! spec=15N NOESY, no=969, id=953
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    8 and name  HB1) 3.351 1.348 1.348 ! spec=15N NOESY, no=969, id=953
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    9 and name  HE2) 3.351 1.348 1.348 ! spec=15N NOESY, no=969, id=953
! violated assign (segid "    " and resid   88 and name   HN) (segid "    " and resid   91 and name  HB1) 3.370 1.363 1.363 ! spec=15N NOESY, no=971, id=955
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HG1) 3.370 1.363 1.363 ! spec=15N NOESY, no=971, id=955
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name  HB1) 2.965 1.055 1.055 ! spec=15N NOESY, no=972, id=956
! violated assign (segid "    " and resid    6 and name   HN) (segid "    " and resid  120 and name  HB1) 2.965 1.055 1.055 ! spec=15N NOESY, no=972, id=956
! violated assign (segid "    " and resid  107 and name   HN) (segid "    " and resid  104 and name  HG1) 2.965 1.055 1.055 ! spec=15N NOESY, no=972, id=956
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name HG22) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name HG21) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name HG23) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG21) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
! violated assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG22) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
! violated assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   68 and name HG23) 2.223 0.593 0.593 ! spec=15N NOESY, no=980, id=963
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HB2) 2.430 0.709 0.709 ! spec=15N NOESY, no=981, id=964
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   69 and name  HB1) 2.430 0.709 0.709 ! spec=15N NOESY, no=981, id=964
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  129 and name  HB1) 2.828 0.959 0.959 ! spec=15N NOESY, no=982, id=965
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB2) 2.828 0.959 0.959 ! spec=15N NOESY, no=982, id=965
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HB) 2.362 0.669 0.669 ! spec=15N NOESY, no=986, id=969
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HG1) 2.362 0.669 0.669 ! spec=15N NOESY, no=986, id=969
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG12) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG11) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid  136 and name   HN) (segid "    " and resid  133 and name HG13) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   51 and name HG12) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   51 and name HG11) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   51 and name HG13) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  130 and name HD22) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  130 and name HD21) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  130 and name HD23) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HG22) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HG21) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
! violated assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HG23) 2.981 2.981 3.019 ! spec=15N NOESY, no=988, id=971
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  128 and name HG22) 2.853 2.853 3.147 ! spec=15N NOESY, no=990, id=973
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  128 and name HG21) 2.853 2.853 3.147 ! spec=15N NOESY, no=990, id=973
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  128 and name HG23) 2.853 2.853 3.147 ! spec=15N NOESY, no=990, id=973
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid  131 and name HG12) 2.853 2.853 3.147 ! spec=15N NOESY, no=990, id=973
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HB2) 2.540 0.774 0.774 ! spec=15N NOESY, no=992, id=975
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  104 and name  HG2) 2.540 0.774 0.774 ! spec=15N NOESY, no=992, id=975
assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  123 and name   HA) 2.285 0.626 0.626 ! spec=15N NOESY, no=997, id=980
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 2.285 0.626 0.626 ! spec=15N NOESY, no=997, id=980
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HD2) 2.870 0.988 0.988 ! spec=15N NOESY, no=1002, id=985
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   11 and name  HD1) 2.870 0.988 0.988 ! spec=15N NOESY, no=1002, id=985
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB2) 2.899 1.009 1.009 ! spec=15N NOESY, no=1003, id=986
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB1) 2.899 1.009 1.009 ! spec=15N NOESY, no=1003, id=986
! violated assign (segid "    " and resid  105 and name   HN) (segid "    " and resid  108 and name  HB3) 2.899 1.009 1.009 ! spec=15N NOESY, no=1003, id=986
! violated assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    4 and name  HG2) 2.899 1.009 1.009 ! spec=15N NOESY, no=1003, id=986
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   15 and name   HA) 2.938 1.036 1.036 ! spec=15N NOESY, no=1007, id=990
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name   HA) 2.938 1.036 1.036 ! spec=15N NOESY, no=1007, id=990
! violated assign (segid "    " and resid   19 and name   HN) (segid "    " and resid  102 and name  HB1) 3.090 3.090 2.910 ! spec=15N NOESY, no=1010, id=993
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD21) 3.090 3.090 2.910 ! spec=15N NOESY, no=1010, id=993
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   86 and name   HA) 2.623 0.826 0.826 ! spec=15N NOESY, no=1037, id=1020
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   88 and name   HA) 2.623 0.826 0.826 ! spec=15N NOESY, no=1037, id=1020
! violated assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   90 and name   HG) 2.375 0.677 0.677 ! spec=15N NOESY, no=1040, id=1023
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name   HG) 2.375 0.677 0.677 ! spec=15N NOESY, no=1040, id=1023
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   88 and name  HB2) 2.375 0.677 0.677 ! spec=15N NOESY, no=1040, id=1023
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   53 and name HG12) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   53 and name HG11) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   53 and name HG13) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   86 and name  HE3) (segid "    " and resid   90 and name  HB2) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD12) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD11) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   28 and name HD13) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD12) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD11) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   32 and name HD13) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   92 and name HD22) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   92 and name HD21) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   89 and name   HN) (segid "    " and resid   92 and name HD23) 2.461 2.461 3.539 ! spec=15N NOESY, no=1042, id=1025
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   63 and name   HN) 3.073 1.133 1.133 ! spec=15N NOESY, no=1046, id=1029
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   40 and name   HN) 3.073 1.133 1.133 ! spec=15N NOESY, no=1046, id=1029
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid  123 and name   HB) 2.758 0.913 0.913 ! spec=15N NOESY, no=1050, id=1033
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name  HB1) 2.758 0.913 0.913 ! spec=15N NOESY, no=1050, id=1033
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   40 and name  HA1) 2.726 2.726 3.274 ! spec=15N NOESY, no=1051, id=1034
assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   97 and name  HB2) 2.726 2.726 3.274 ! spec=15N NOESY, no=1051, id=1034
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   74 and name  HB1) 2.974 1.061 1.061 ! spec=15N NOESY, no=1056, id=1039
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HG) 2.974 1.061 1.061 ! spec=15N NOESY, no=1056, id=1039
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB2) 2.946 1.041 1.041 ! spec=15N NOESY, no=1057, id=1040
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB1) 2.946 1.041 1.041 ! spec=15N NOESY, no=1057, id=1040
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   75 and name  HB3) 2.946 1.041 1.041 ! spec=15N NOESY, no=1057, id=1040
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HB) 2.946 1.041 1.041 ! spec=15N NOESY, no=1057, id=1040
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB2) 2.508 0.755 0.755 ! spec=15N NOESY, no=1064, id=1047
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG1) 2.508 0.755 0.755 ! spec=15N NOESY, no=1064, id=1047
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD22) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD21) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD23) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG22) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG21) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG23) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG12) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG11) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG13) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG12) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG11) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG13) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG22) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG21) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG23) 2.502 2.502 3.498 ! spec=15N NOESY, no=1065, id=1048
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HN) 3.049 1.116 1.116 ! spec=15N NOESY, no=1066, id=1049
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   57 and name   HN) 3.049 1.116 1.116 ! spec=15N NOESY, no=1066, id=1049
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name  HD2) 2.505 0.753 0.753 ! spec=15N NOESY, no=1070, id=1053
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name   HA) 2.505 0.753 0.753 ! spec=15N NOESY, no=1070, id=1053
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  117 and name  HB2) 3.037 1.107 1.107 ! spec=15N NOESY, no=1071, id=1054
! violated assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  122 and name  HG2) 3.037 1.107 1.107 ! spec=15N NOESY, no=1071, id=1054
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid   59 and name HD12) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid   59 and name HD11) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid   59 and name HD13) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG22) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG21) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid  118 and name   HN) (segid "    " and resid  118 and name HG23) 2.533 2.533 3.467 ! spec=15N NOESY, no=1073, id=1056
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD12) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD11) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD13) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   90 and name HD12) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   90 and name HD11) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   90 and name HD13) 2.523 0.764 0.764 ! spec=15N NOESY, no=1076, id=1059
! violated assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   82 and name   HB) 2.811 2.811 3.189 ! spec=15N NOESY, no=1086, id=1069
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid   83 and name HG11) 2.811 2.811 3.189 ! spec=15N NOESY, no=1086, id=1069
assign (segid "    " and resid   86 and name   HN) (segid "    " and resid  107 and name  HB2) 2.811 2.811 3.189 ! spec=15N NOESY, no=1086, id=1069
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   88 and name   HN) 2.770 0.921 0.921 ! spec=15N NOESY, no=1090, id=1073
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name   HN) 2.770 0.921 0.921 ! spec=15N NOESY, no=1090, id=1073
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG21) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG22) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG23) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG21) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG22) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG23) 2.468 2.468 3.532 ! spec=15N NOESY, no=1094, id=1077
! violated assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   59 and name   HN) 2.804 0.943 0.943 ! spec=15N NOESY, no=1095, id=1078
! violated assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name   HN) 2.804 0.943 0.943 ! spec=15N NOESY, no=1095, id=1078
! violated assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name   HN) 2.697 0.873 0.873 ! spec=15N NOESY, no=1096, id=1079
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name   HN) 2.697 0.873 0.873 ! spec=15N NOESY, no=1096, id=1079
! violated assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name  HD1) 2.697 0.873 0.873 ! spec=15N NOESY, no=1096, id=1079
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   14 and name   HA) 2.613 0.820 0.820 ! spec=15N NOESY, no=1099, id=1082
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name   HB) 2.613 0.820 0.820 ! spec=15N NOESY, no=1099, id=1082
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB1) 2.613 0.820 0.820 ! spec=15N NOESY, no=1099, id=1082
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB2) 2.336 2.336 3.664 ! spec=15N NOESY, no=1100, id=1083
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   62 and name  HA1) 2.336 2.336 3.664 ! spec=15N NOESY, no=1100, id=1083
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB1) 2.336 2.336 3.664 ! spec=15N NOESY, no=1100, id=1083
! violated assign (segid "    " and resid  102 and name   HN) (segid "    " and resid   34 and name   HN) 2.557 0.784 0.784 ! spec=15N NOESY, no=1102, id=1085
! violated assign (segid "    " and resid  126 and name   HN) (segid "    " and resid  101 and name   HN) 2.557 0.784 0.784 ! spec=15N NOESY, no=1102, id=1085
! violated assign (segid "    " and resid   34 and name   HN) (segid "    " and resid  102 and name  HD1) 2.875 0.992 0.992 ! spec=15N NOESY, no=1103, id=1086
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  102 and name  HD1) 2.875 0.992 0.992 ! spec=15N NOESY, no=1103, id=1086
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.189 0.575 0.575 ! spec=15N NOESY, no=1109, id=1092
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HB) 2.189 0.575 0.575 ! spec=15N NOESY, no=1109, id=1092
! violated assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB1) 2.189 0.575 0.575 ! spec=15N NOESY, no=1109, id=1092
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG21) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG22) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   63 and name HG23) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG21) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG22) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   87 and name HG23) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG21) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG22) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG23) 2.388 2.388 3.612 ! spec=15N NOESY, no=1113, id=1096
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD22) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD21) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD23) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG22) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG21) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   64 and name HG23) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG12) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG11) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   79 and name HG13) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG22) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG21) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
! violated assign (segid "    " and resid   87 and name   HN) (segid "    " and resid   83 and name HG23) 2.861 0.982 0.982 ! spec=15N NOESY, no=1114, id=1097
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD12) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD11) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
! violated assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name HD13) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
! violated assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG12) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
! violated assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG11) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
! violated assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name HG13) 2.883 0.997 0.997 ! spec=15N NOESY, no=1115, id=1098
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   59 and name  HB1) 2.022 0.491 0.491 ! spec=15N NOESY, no=1122, id=1105
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB2) 2.022 0.491 0.491 ! spec=15N NOESY, no=1122, id=1105
! violated assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   56 and name HG21) 2.947 1.043 1.043 ! spec=15N NOESY, no=1123, id=1106
! violated assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   56 and name HG22) 2.947 1.043 1.043 ! spec=15N NOESY, no=1123, id=1106
! violated assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   56 and name HG23) 2.947 1.043 1.043 ! spec=15N NOESY, no=1123, id=1106
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG11) 2.947 1.043 1.043 ! spec=15N NOESY, no=1123, id=1106
! violated assign (segid "    " and resid  134 and name   HN) (segid "    " and resid   52 and name   HN) 3.018 1.093 1.093 ! spec=15N NOESY, no=1124, id=1107
! violated assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   52 and name   HN) 3.018 1.093 1.093 ! spec=15N NOESY, no=1124, id=1107
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  131 and name   HB) 3.228 1.250 1.250 ! spec=15N NOESY, no=1129, id=1112
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG22) 3.228 1.250 1.250 ! spec=15N NOESY, no=1129, id=1112
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG21) 3.228 1.250 1.250 ! spec=15N NOESY, no=1129, id=1112
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG23) 3.228 1.250 1.250 ! spec=15N NOESY, no=1129, id=1112
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG21) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG22) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG23) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG21) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG22) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG23) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG12) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG11) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name HG13) 2.573 2.573 3.427 ! spec=15N NOESY, no=1130, id=1113
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG22) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG21) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name HG23) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD22) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD21) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
! violated assign (segid "    " and resid   52 and name   HN) (segid "    " and resid  130 and name HD23) 2.368 0.673 0.673 ! spec=15N NOESY, no=1131, id=1114
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   89 and name   HA) 2.897 1.007 1.007 ! spec=15N NOESY, no=1136, id=1119
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   90 and name   HA) 2.897 1.007 1.007 ! spec=15N NOESY, no=1136, id=1119
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name  HB2) 2.378 0.679 0.679 ! spec=15N NOESY, no=1140, id=1123
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   92 and name   HG) 2.378 0.679 0.679 ! spec=15N NOESY, no=1140, id=1123
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   89 and name  HB2) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   89 and name  HB1) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   89 and name  HB3) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
! violated assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   90 and name HD22) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
! violated assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   90 and name HD21) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   90 and name HD23) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
! violated assign (segid "    " and resid   92 and name   HN) (segid "    " and resid   93 and name  HG1) 2.861 2.861 3.139 ! spec=15N NOESY, no=1141, id=1124
! violated assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   88 and name   HA) 2.975 2.975 3.025 ! spec=15N NOESY, no=1159, id=1142
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   48 and name  HB2) 2.975 2.975 3.025 ! spec=15N NOESY, no=1159, id=1142
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HA1) 1.937 0.450 0.450 ! spec=15N NOESY, no=1160, id=1143
! violated assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name   HA) 1.937 0.450 0.450 ! spec=15N NOESY, no=1160, id=1143
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   55 and name  HD1) 2.812 0.949 0.949 ! spec=15N NOESY, no=1166, id=1149
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   57 and name   HN) 2.812 0.949 0.949 ! spec=15N NOESY, no=1166, id=1149
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   40 and name   HN) 2.837 0.966 0.966 ! spec=15N NOESY, no=1174, id=1157
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   42 and name   HN) 2.837 0.966 0.966 ! spec=15N NOESY, no=1174, id=1157
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   97 and name   HA) 2.682 0.863 0.863 ! spec=15N NOESY, no=1176, id=1159
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   96 and name  HA2) 2.682 0.863 0.863 ! spec=15N NOESY, no=1176, id=1159
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   40 and name  HA2) 2.774 2.774 3.226 ! spec=15N NOESY, no=1177, id=1160
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   94 and name  HD1) 2.774 2.774 3.226 ! spec=15N NOESY, no=1177, id=1160
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   97 and name  HB2) 2.369 0.674 0.674 ! spec=15N NOESY, no=1180, id=1163
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid   40 and name  HA1) 2.369 0.674 0.674 ! spec=15N NOESY, no=1180, id=1163
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD22) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD21) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  130 and name HD23) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  133 and name HG22) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  133 and name HG21) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
! violated assign (segid "    " and resid   97 and name   HN) (segid "    " and resid  133 and name HG23) 2.988 2.988 3.012 ! spec=15N NOESY, no=1184, id=1167
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name   HA) 2.504 0.752 0.752 ! spec=15N NOESY, no=1188, id=1171
assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  121 and name   HA) 2.504 0.752 0.752 ! spec=15N NOESY, no=1188, id=1171
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  105 and name  HB1) 3.075 1.135 1.135 ! spec=15N NOESY, no=1189, id=1172
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name  HD1) 3.075 1.135 1.135 ! spec=15N NOESY, no=1189, id=1172
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  112 and name  HB2) 3.129 1.175 1.175 ! spec=15N NOESY, no=1192, id=1175
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  120 and name  HG2) 3.129 1.175 1.175 ! spec=15N NOESY, no=1192, id=1175
! violated assign (segid "    " and resid  121 and name   HN) (segid "    " and resid  122 and name  HB2) 3.129 1.175 1.175 ! spec=15N NOESY, no=1192, id=1175
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   45 and name  HD2) 3.782 3.782 2.218 ! spec=15N NOESY, no=1199, id=1182
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   46 and name  HA1) 3.782 3.782 2.218 ! spec=15N NOESY, no=1199, id=1182
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name   HA) 3.782 3.782 2.218 ! spec=15N NOESY, no=1199, id=1182
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   45 and name  HG1) 3.131 1.177 1.177 ! spec=15N NOESY, no=1201, id=1184
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  135 and name  HB2) 3.131 1.177 1.177 ! spec=15N NOESY, no=1201, id=1184
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  135 and name  HB1) 3.131 1.177 1.177 ! spec=15N NOESY, no=1201, id=1184
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  134 and name  HB1) 2.798 0.940 0.940 ! spec=15N NOESY, no=1202, id=1185
! violated assign (segid "    " and resid   50 and name   HN) (segid "    " and resid  135 and name  HD2) 2.798 0.940 0.940 ! spec=15N NOESY, no=1202, id=1185
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG22) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG21) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name HG23) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   98 and name HG21) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   98 and name HG22) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   98 and name HG23) 2.610 2.610 3.390 ! spec=15N NOESY, no=1217, id=1200
! violated assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  111 and name  HD2) 2.359 2.359 3.641 ! spec=15N NOESY, no=1233, id=1216
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  119 and name  HA1) 2.359 2.359 3.641 ! spec=15N NOESY, no=1233, id=1216
assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  120 and name  HB1) 3.339 1.338 1.338 ! spec=15N NOESY, no=1235, id=1218
! violated assign (segid "    " and resid  113 and name   HN) (segid "    " and resid  120 and name  HG1) 3.339 1.338 1.338 ! spec=15N NOESY, no=1235, id=1218
! violated assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   57 and name   HN) 2.916 1.020 1.020 ! spec=15N NOESY, no=1243, id=1221
! violated assign (segid "    " and resid  128 and name   HN) (segid "    " and resid   56 and name   HN) 2.916 1.020 1.020 ! spec=15N NOESY, no=1243, id=1221
! violated assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   67 and name   HA) 3.144 1.186 1.186 ! spec=15N NOESY, no=1247, id=1225
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid  127 and name   HA) 3.144 1.186 1.186 ! spec=15N NOESY, no=1247, id=1225
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB2) 2.507 2.507 3.493 ! spec=15N NOESY, no=1268, id=1238
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HD2) 2.507 2.507 3.493 ! spec=15N NOESY, no=1268, id=1238
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HG2) 2.677 0.860 0.860 ! spec=15N NOESY, no=1269, id=1239
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HG1) 2.677 0.860 0.860 ! spec=15N NOESY, no=1269, id=1239
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB1) 2.251 0.608 0.608 ! spec=15N NOESY, no=1277, id=1246
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name   HG) 2.251 0.608 0.608 ! spec=15N NOESY, no=1277, id=1246
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   44 and name  HB1) 3.469 1.444 1.444 ! spec=15N NOESY, no=1278, id=1247
! violated assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   45 and name  HG2) 3.469 1.444 1.444 ! spec=15N NOESY, no=1278, id=1247
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   90 and name  HB2) 2.403 2.403 3.597 ! spec=15N NOESY, no=1280, id=1249
assign (segid "    " and resid   90 and name   HN) (segid "    " and resid   93 and name  HB2) 2.403 2.403 3.597 ! spec=15N NOESY, no=1280, id=1249
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name  HD1) 3.350 3.350 2.650 ! spec=15N NOESY, no=1322, id=1280
! violated assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   26 and name   HA) 3.350 3.350 2.650 ! spec=15N NOESY, no=1322, id=1280
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HD2) 2.291 0.630 0.630 ! spec=15N NOESY, no=1334, id=1292
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB2) 2.291 0.630 0.630 ! spec=15N NOESY, no=1334, id=1292
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB1) 2.291 0.630 0.630 ! spec=15N NOESY, no=1334, id=1292
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HG2) 2.875 0.992 0.992 ! spec=15N NOESY, no=1337, id=1295
! violated assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HG1) 2.875 0.992 0.992 ! spec=15N NOESY, no=1337, id=1295
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   28 and name HD12) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   28 and name HD11) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   28 and name HD13) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD12) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD11) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid  107 and name HD13) 2.639 2.639 3.361 ! spec=15N NOESY, no=1339, id=1297
! violated assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   17 and name   HA) 3.228 1.251 1.251 ! spec=15N NOESY, no=1341, id=1299
assign (segid "    " and resid   81 and name HE22) (segid "    " and resid   81 and name   HA) 3.228 1.251 1.251 ! spec=15N NOESY, no=1341, id=1299
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HN) 2.562 2.562 3.438 ! spec=15N NOESY, no=1347, id=1305
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   20 and name   HN) 2.562 2.562 3.438 ! spec=15N NOESY, no=1347, id=1305
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HE2) 2.905 1.013 1.013 ! spec=15N NOESY, no=1352, id=1310
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name  HB1) 2.905 1.013 1.013 ! spec=15N NOESY, no=1352, id=1310
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   33 and name  HB1) 3.224 1.248 1.248 ! spec=15N NOESY, no=1366, id=1324
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   33 and name  HG2) 3.224 1.248 1.248 ! spec=15N NOESY, no=1366, id=1324
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name  HB1) 3.141 3.141 2.859 ! spec=15N NOESY, no=1367, id=1325
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   18 and name  HB1) 3.141 3.141 2.859 ! spec=15N NOESY, no=1367, id=1325
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG12) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG11) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG13) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG22) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG21) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG23) 3.083 3.083 2.917 ! spec=15N NOESY, no=1368, id=1326
! violated assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   36 and name HG22) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   36 and name HG21) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
! violated assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   36 and name HG23) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
! violated assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   27 and name HG12) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
! violated assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   27 and name HG11) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
! violated assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   27 and name HG13) 3.006 3.006 2.994 ! spec=15N NOESY, no=1377, id=1335
assign (segid "    " and resid   21 and name HD22) (segid "    " and resid   21 and name HD21) 2.404 2.404 3.596 ! spec=15N NOESY, no=1378, id=1336
assign (segid "    " and resid   41 and name HD22) (segid "    " and resid   41 and name HD21) 2.404 2.404 3.596 ! spec=15N NOESY, no=1378, id=1336
assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name HE21) 2.404 2.404 3.596 ! spec=15N NOESY, no=1378, id=1336
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  104 and name   HA) 3.028 1.101 1.101 ! spec=15N NOESY, no=1389, id=1346
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name   HA) 3.028 1.101 1.101 ! spec=15N NOESY, no=1389, id=1346
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name  HB1) 3.105 1.157 1.157 ! spec=15N NOESY, no=1394, id=1351
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name   HG) 3.105 1.157 1.157 ! spec=15N NOESY, no=1394, id=1351
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  103 and name HG12) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  103 and name HG11) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  103 and name HG13) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name HD22) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
! violated assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name HD21) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
assign (segid "    " and resid  106 and name   HN) (segid "    " and resid  107 and name HD23) 3.142 3.142 2.858 ! spec=15N NOESY, no=1396, id=1353
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   81 and name  HG2) 2.346 0.660 0.660 ! spec=15N NOESY, no=1401, id=1358
! violated assign (segid "    " and resid   78 and name HE22) (segid "    " and resid   78 and name  HG2) 2.346 0.660 0.660 ! spec=15N NOESY, no=1401, id=1358
assign (segid "    " and resid   41 and name HD21) (segid "    " and resid   39 and name  HB2) 2.654 0.845 0.845 ! spec=15N NOESY, no=1406, id=1363
assign (segid "    " and resid   91 and name HE21) (segid "    " and resid   88 and name   HA) 2.654 0.845 0.845 ! spec=15N NOESY, no=1406, id=1363
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG2) 2.500 0.750 0.750 ! spec=15N NOESY, no=1407, id=1364
assign (segid "    " and resid   78 and name HE21) (segid "    " and resid   78 and name  HG1) 2.500 0.750 0.750 ! spec=15N NOESY, no=1407, id=1364
! violated assign (segid "    " and resid   91 and name HE21) (segid "    " and resid   79 and name   HB) 2.500 0.750 0.750 ! spec=15N NOESY, no=1407, id=1364
! violated assign (segid "    " and resid   91 and name HE21) (segid "    " and resid   91 and name  HB1) 2.500 0.750 0.750 ! spec=15N NOESY, no=1407, id=1364
! violated assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   29 and name  HD2) 2.844 0.971 0.971 ! spec=15N NOESY, no=1414, id=1371
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB2) 2.844 0.971 0.971 ! spec=15N NOESY, no=1414, id=1371
! violated assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB1) 2.844 0.971 0.971 ! spec=15N NOESY, no=1414, id=1371
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG22) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG21) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   27 and name HG23) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD12) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD11) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid  107 and name HD13) 2.512 2.512 3.488 ! spec=15N NOESY, no=1418, id=1375
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  110 and name  HA2) 2.509 0.756 0.756 ! spec=15N NOESY, no=1421, id=1377
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  115 and name  HA2) 2.509 0.756 0.756 ! spec=15N NOESY, no=1421, id=1377
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HG2) 2.923 1.025 1.025 ! spec=15N NOESY, no=1426, id=1382
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  122 and name  HB2) 2.923 1.025 1.025 ! spec=15N NOESY, no=1426, id=1382
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  120 and name  HG2) 3.250 1.268 1.268 ! spec=15N NOESY, no=1433, id=1389
assign (segid "    " and resid    8 and name HD21) (segid "    " and resid  122 and name  HB2) 3.250 1.268 1.268 ! spec=15N NOESY, no=1433, id=1389
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    4 and name  HG2) 3.262 1.277 1.277 ! spec=15N NOESY, no=1435, id=1391
! violated assign (segid "    " and resid    8 and name HD21) (segid "    " and resid    4 and name  HG1) 3.262 1.277 1.277 ! spec=15N NOESY, no=1435, id=1391
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HN) 2.032 0.495 0.495 ! spec=15N NOESY, no=1437, id=1393
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   73 and name   HN) 2.032 0.495 0.495 ! spec=15N NOESY, no=1437, id=1393
! violated assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HA) 2.365 0.671 0.671 ! spec=15N NOESY, no=1438, id=1394
! violated assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HB) 2.365 0.671 0.671 ! spec=15N NOESY, no=1438, id=1394
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   69 and name   HA) 2.136 0.548 0.548 ! spec=15N NOESY, no=1439, id=1395
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   72 and name  HA2) 2.136 0.548 0.548 ! spec=15N NOESY, no=1439, id=1395
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   69 and name  HB2) 2.745 2.745 3.255 ! spec=15N NOESY, no=1440, id=1396
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   70 and name  HB2) 2.745 2.745 3.255 ! spec=15N NOESY, no=1440, id=1396
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   68 and name HG21) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   68 and name HG22) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   68 and name HG23) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG21) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG22) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name HG23) 2.695 2.695 3.305 ! spec=15N NOESY, no=1442, id=1398
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid    4 and name  HB1) 3.203 1.231 1.231 ! spec=15N NOESY, no=1446, id=1402
assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  120 and name  HG2) 3.203 1.231 1.231 ! spec=15N NOESY, no=1446, id=1402
! violated assign (segid "    " and resid    8 and name HD22) (segid "    " and resid  122 and name  HB2) 3.203 1.231 1.231 ! spec=15N NOESY, no=1446, id=1402
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HG1) 2.551 2.551 3.449 ! spec=15N NOESY, no=1455, id=1411
! violated assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   90 and name  HB1) 2.551 2.551 3.449 ! spec=15N NOESY, no=1455, id=1411
! violated assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   91 and name  HB2) 2.551 2.551 3.449 ! spec=15N NOESY, no=1455, id=1411
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name   HA) 2.249 0.607 0.607 ! spec=15N NOESY, no=1459, id=1415
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  115 and name  HA1) 2.249 0.607 0.607 ! spec=15N NOESY, no=1459, id=1415
assign (segid "    " and resid  116 and name   HN) (segid "    " and resid  116 and name  HA2) 2.667 0.854 0.854 ! spec=15N NOESY, no=1462, id=1418
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   96 and name  HA2) 2.667 0.854 0.854 ! spec=15N NOESY, no=1462, id=1418
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB2) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB1) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
! violated assign (segid "    " and resid   96 and name   HN) (segid "    " and resid   95 and name  HB3) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB2) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB1) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  108 and name  HB3) 2.481 0.739 0.739 ! spec=15N NOESY, no=1465, id=1421
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD12) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD11) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
assign (segid "    " and resid   96 and name   HN) (segid "    " and resid  130 and name HD13) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  114 and name HG22) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  114 and name HG21) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  114 and name HG23) 2.755 2.755 3.245 ! spec=15N NOESY, no=1468, id=1424
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   46 and name  HA1) 2.582 0.800 0.800 ! spec=15N NOESY, no=1474, id=1430
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HA) 2.582 0.800 0.800 ! spec=15N NOESY, no=1474, id=1430
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG12) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG11) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG13) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG22) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG21) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   79 and name HG23) 3.065 3.065 2.935 ! spec=15N NOESY, no=1479, id=1435
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   80 and name   HA) 3.928 1.851 1.851 ! spec=15N NOESY, no=1481, id=1437
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid  135 and name   HA) 3.928 1.851 1.851 ! spec=15N NOESY, no=1481, id=1437
! violated assign (segid "    " and resid   48 and name   HN) (segid "    " and resid  136 and name   HA) 3.928 1.851 1.851 ! spec=15N NOESY, no=1481, id=1437
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid    9 and name  HB1) 3.534 1.499 1.499 ! spec=15N NOESY, no=1486, id=1442
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HB) 3.534 1.499 1.499 ! spec=15N NOESY, no=1486, id=1442
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name  HG2) 3.534 1.499 1.499 ! spec=15N NOESY, no=1486, id=1442
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid    9 and name  HB1) 2.876 0.993 0.993 ! spec=15N NOESY, no=1487, id=1443
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HB) 2.876 0.993 0.993 ! spec=15N NOESY, no=1487, id=1443
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name  HB2) 2.876 0.993 0.993 ! spec=15N NOESY, no=1487, id=1443
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  122 and name  HG1) 2.876 0.993 0.993 ! spec=15N NOESY, no=1487, id=1443
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB2) 2.640 0.836 0.836 ! spec=15N NOESY, no=1488, id=1444
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB1) 2.640 0.836 0.836 ! spec=15N NOESY, no=1488, id=1444
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HD1) 2.848 0.973 0.973 ! spec=15N NOESY, no=1489, id=1445
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HG2) 2.848 0.973 0.973 ! spec=15N NOESY, no=1489, id=1445
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid    9 and name  HG2) 2.929 1.030 1.030 ! spec=15N NOESY, no=1490, id=1446
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HD2) 2.929 1.030 1.030 ! spec=15N NOESY, no=1490, id=1446
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   60 and name   HB) 2.929 1.030 1.030 ! spec=15N NOESY, no=1490, id=1446
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG12) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG11) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name HG13) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid  123 and name HG21) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid  123 and name HG22) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid   12 and name   HN) (segid "    " and resid  123 and name HG23) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  103 and name HG12) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  103 and name HG11) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
! violated assign (segid "    " and resid  110 and name   HN) (segid "    " and resid  103 and name HG13) 2.930 2.930 3.070 ! spec=15N NOESY, no=1491, id=1447
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG12) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG11) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG13) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG22) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG21) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
assign (segid "    " and resid  115 and name   HN) (segid "    " and resid  114 and name HG23) 3.005 3.005 2.995 ! spec=15N NOESY, no=1500, id=1456
! violated assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   47 and name  HE2) 3.952 1.875 1.875 ! spec=15N NOESY, no=1510, id=1466
! violated assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   77 and name  HB2) 3.952 1.875 1.875 ! spec=15N NOESY, no=1510, id=1466
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG12) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG11) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG13) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG22) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG21) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HG23) 2.639 2.639 3.361 ! spec=15N NOESY, no=1514, id=1470
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   19 and name HD21) 3.916 1.840 1.840 ! spec=15N NOESY, no=1516, id=1472
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  102 and name  HB1) 3.916 1.840 1.840 ! spec=15N NOESY, no=1516, id=1472
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name  HB1) 3.131 1.176 1.176 ! spec=15N NOESY, no=1520, id=1476
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   33 and name  HB2) 3.131 1.176 1.176 ! spec=15N NOESY, no=1520, id=1476
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  104 and name  HG2) 3.131 1.176 1.176 ! spec=15N NOESY, no=1520, id=1476
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name  HB1) 3.209 1.236 1.236 ! spec=15N NOESY, no=1527, id=1483
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name   HB) 3.209 1.236 1.236 ! spec=15N NOESY, no=1527, id=1483
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name  HB2) 3.002 1.082 1.082 ! spec=15N NOESY, no=1528, id=1484
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   20 and name  HB2) 3.002 1.082 1.082 ! spec=15N NOESY, no=1528, id=1484
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name HD12) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name HD11) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
! violated assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   16 and name HD13) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG12) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG11) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
assign (segid "    " and resid   33 and name HE21) (segid "    " and resid   27 and name HG13) 2.782 2.782 3.218 ! spec=15N NOESY, no=1530, id=1486
! violated assign (segid "    " and resid  133 and name   HN) (segid "    " and resid  132 and name   HN) 2.962 1.053 1.053 ! spec=15N NOESY, no=1534, id=1490
! violated assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   33 and name HE22) 2.962 1.053 1.053 ! spec=15N NOESY, no=1534, id=1490
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  102 and name   HA) 3.094 3.094 2.906 ! spec=15N NOESY, no=1538, id=1494
assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   51 and name   HA) 3.094 3.094 2.906 ! spec=15N NOESY, no=1538, id=1494
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD22) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD21) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   16 and name HD23) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   27 and name HG22) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   27 and name HG21) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   27 and name HG23) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG21) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG22) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   52 and name HG23) 2.435 0.712 0.712 ! spec=15N NOESY, no=1544, id=1500
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   27 and name   HB) 3.073 1.133 1.133 ! spec=15N NOESY, no=1548, id=1504
assign (segid "    " and resid   33 and name HE22) (segid "    " and resid   33 and name  HB2) 3.073 1.133 1.133 ! spec=15N NOESY, no=1548, id=1504
! violated assign (segid "    " and resid   33 and name HE22) (segid "    " and resid  104 and name  HG2) 3.073 1.133 1.133 ! spec=15N NOESY, no=1548, id=1504
! violated assign (segid "    " and resid  132 and name   HN) (segid "    " and resid   74 and name  HG2) 3.073 1.133 1.133 ! spec=15N NOESY, no=1548, id=1504
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   40 and name  HA1) 2.803 0.943 0.943 ! spec=15N NOESY, no=1554, id=1510
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   97 and name  HB2) 2.803 0.943 0.943 ! spec=15N NOESY, no=1554, id=1510
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG12) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG11) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG13) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG22) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG21) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name HG23) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid  130 and name HD22) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid  130 and name HD21) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   42 and name   HN) (segid "    " and resid  130 and name HD23) 2.960 2.960 3.040 ! spec=15N NOESY, no=1559, id=1515
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HA) 2.200 0.581 0.581 ! spec=15N NOESY, no=1561, id=1517
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HA2) 2.200 0.581 0.581 ! spec=15N NOESY, no=1561, id=1517
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name  HB2) 2.992 1.074 1.074 ! spec=15N NOESY, no=1568, id=1524
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name  HB1) 2.992 1.074 1.074 ! spec=15N NOESY, no=1568, id=1524
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD22) 2.945 2.945 3.055 ! spec=15N NOESY, no=1571, id=1527
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD21) 2.945 2.945 3.055 ! spec=15N NOESY, no=1571, id=1527
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name HD23) 2.945 2.945 3.055 ! spec=15N NOESY, no=1571, id=1527
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HG12) 2.945 2.945 3.055 ! spec=15N NOESY, no=1571, id=1527
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid  125 and name HG22) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid  125 and name HG21) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid  125 and name HG23) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HG22) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HG21) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
! violated assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   60 and name HG23) 3.179 3.179 2.821 ! spec=15N NOESY, no=1572, id=1528
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name  HB2) 2.656 0.846 0.846 ! spec=15N NOESY, no=1587, id=1543
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   92 and name HD22) 2.656 0.846 0.846 ! spec=15N NOESY, no=1587, id=1543
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   92 and name HD21) 2.656 0.846 0.846 ! spec=15N NOESY, no=1587, id=1543
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   92 and name HD23) 2.656 0.846 0.846 ! spec=15N NOESY, no=1587, id=1543
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   44 and name  HG2) 2.938 2.938 3.062 ! spec=15N NOESY, no=1588, id=1544
! violated assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name HD12) 2.938 2.938 3.062 ! spec=15N NOESY, no=1588, id=1544
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name HD11) 2.938 2.938 3.062 ! spec=15N NOESY, no=1588, id=1544
assign (segid "    " and resid   91 and name   HN) (segid "    " and resid   90 and name HD13) 2.938 2.938 3.062 ! spec=15N NOESY, no=1588, id=1544
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   33 and name   HA) 3.022 1.096 1.096 ! spec=15N NOESY, no=1591, id=1547
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   34 and name  HD1) 3.022 1.096 1.096 ! spec=15N NOESY, no=1591, id=1547
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HB) 2.855 0.978 0.978 ! spec=15N NOESY, no=1596, id=1552
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   35 and name  HB2) 2.855 0.978 0.978 ! spec=15N NOESY, no=1596, id=1552
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   35 and name  HG2) 3.621 1.573 1.573 ! spec=15N NOESY, no=1597, id=1553
! violated assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   35 and name  HG1) 3.621 1.573 1.573 ! spec=15N NOESY, no=1597, id=1553
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG12) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG11) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG13) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG22) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG21) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name HG23) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   90 and name HD22) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   90 and name HD21) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   90 and name HD23) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid  103 and name HG12) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid  103 and name HG11) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
! violated assign (segid "    " and resid   83 and name   HN) (segid "    " and resid  103 and name HG13) 3.626 3.626 2.374 ! spec=15N NOESY, no=1603, id=1559
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HA) 2.220 0.592 0.592 ! spec=15N NOESY, no=1614, id=1570
! violated assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HB) 2.220 0.592 0.592 ! spec=15N NOESY, no=1614, id=1570
! violated assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   69 and name   HA) 2.516 0.760 0.760 ! spec=15N NOESY, no=1615, id=1571
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name   HA) 2.516 0.760 0.760 ! spec=15N NOESY, no=1615, id=1571
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   68 and name HG21) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
! violated assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   68 and name HG22) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   68 and name HG23) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG21) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG22) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name HG23) 2.308 2.308 3.692 ! spec=15N NOESY, no=1621, id=1577
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   81 and name   HA) 2.578 0.797 0.797 ! spec=15N NOESY, no=1624, id=1580
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name   HA) 2.578 0.797 0.797 ! spec=15N NOESY, no=1624, id=1580
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG22) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG21) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name HG23) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
! violated assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG21) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG22) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   87 and name HG23) 3.075 3.075 2.925 ! spec=15N NOESY, no=1627, id=1583
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   86 and name  HZ2) 3.608 1.562 1.562 ! spec=15N NOESY, no=1632, id=1588
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   86 and name  HD1) 3.608 1.562 1.562 ! spec=15N NOESY, no=1632, id=1588
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HG22) 3.967 1.888 1.888 ! spec=15N NOESY, no=1635, id=1590
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HG21) 3.967 1.888 1.888 ! spec=15N NOESY, no=1635, id=1590
assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HG23) 3.967 1.888 1.888 ! spec=15N NOESY, no=1635, id=1590
! violated assign (segid "    " and resid   86 and name  HE1) (segid "    " and resid   83 and name HG12) 3.967 1.888 1.888 ! spec=15N NOESY, no=1635, id=1590
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   16 and name HD12) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   16 and name HD11) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   16 and name HD13) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   37 and name HD12) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   37 and name HD11) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   37 and name HD13) 3.818 1.749 1.749 ! spec=15N NOESY, no=1640, id=1595
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name   HA) 2.773 0.923 0.923 ! spec=15N NOESY, no=1657, id=1604
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   13 and name   HA) 2.773 0.923 0.923 ! spec=15N NOESY, no=1657, id=1604
assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   15 and name  HE1) 3.423 1.406 1.406 ! spec=15N NOESY, no=1662, id=1609
! violated assign (segid "    " and resid   19 and name HD21) (segid "    " and resid   21 and name   HN) 3.423 1.406 1.406 ! spec=15N NOESY, no=1662, id=1609
! violated assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   19 and name HD21) 3.423 1.406 1.406 ! spec=15N NOESY, no=1662, id=1609
assign (segid "    " and resid   21 and name HD21) (segid "    " and resid   20 and name   HN) 2.432 2.432 3.568 ! spec=15N NOESY, no=1669, id=1616
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   33 and name HE21) 2.432 2.432 3.568 ! spec=15N NOESY, no=1669, id=1616
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD12) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD11) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name HD13) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG12) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG11) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
! violated assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   27 and name HG13) 2.772 2.772 3.228 ! spec=15N NOESY, no=1674, id=1621
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG12) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG11) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG13) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG22) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG21) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   26 and name HG23) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD12) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD11) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
! violated assign (segid "    " and resid  101 and name   HN) (segid "    " and resid  125 and name HD13) 2.902 2.902 3.098 ! spec=15N NOESY, no=1682, id=1629
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG22) 2.516 0.760 0.760 ! spec=15N NOESY, no=1685, id=1632
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG21) 2.516 0.760 0.760 ! spec=15N NOESY, no=1685, id=1632
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG23) 2.516 0.760 0.760 ! spec=15N NOESY, no=1685, id=1632
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG11) 2.516 0.760 0.760 ! spec=15N NOESY, no=1685, id=1632
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG12) 2.414 0.699 0.699 ! spec=15N NOESY, no=1686, id=1633
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG11) 2.414 0.699 0.699 ! spec=15N NOESY, no=1686, id=1633
! violated assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name HG13) 2.414 0.699 0.699 ! spec=15N NOESY, no=1686, id=1633
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG12) 2.414 0.699 0.699 ! spec=15N NOESY, no=1686, id=1633
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD22) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD21) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
! violated assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name HD23) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   98 and name HG21) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   98 and name HG22) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
! violated assign (segid "    " and resid   98 and name   HN) (segid "    " and resid   98 and name HG23) 2.921 1.024 1.024 ! spec=15N NOESY, no=1688, id=1635
! violated assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   38 and name  HB2) 3.409 1.395 1.395 ! spec=15N NOESY, no=1692, id=1639
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name  HB2) 3.409 1.395 1.395 ! spec=15N NOESY, no=1692, id=1639
! violated assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name  HB1) 3.409 1.395 1.395 ! spec=15N NOESY, no=1692, id=1639
! end of intramolecular, intermolecular noes start here
assign (resi  138 and name  H42) (resi   77 and name  HD*) 6.500 4.700 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   77 and name  HE*) 5.500 3.700 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   77 and name   HZ) 6.500 4.700 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   82 and name   HB) 6.500 4.700 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   82 and name HG1*) 6.000 4.200 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   82 and name HG2*) 4.300 2.500 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   83 and name HD1*) 7.000 5.200 0.000 ! -1.71 
assign (resi  138 and name  H42) (resi   86 and name  HH2) 6.500 4.700 0.000 ! -1.71 
assign (resi  138 and name  H41) (resi   77 and name  HE*) 6.500 4.700 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   82 and name   HA) 6.500 4.700 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   82 and name   HB) 5.500 3.700 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   82 and name HG1*) 6.000 4.200 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   82 and name HG2*) 4.300 2.500 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   83 and name HD1*) 4.300 2.500 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   83 and name HG2*) 6.000 4.200 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   86 and name  HD1) 5.500 3.700 0.000 ! -0.89 
assign (resi  138 and name  H41) (resi   86 and name  HZ2) 6.500 4.700 0.000 ! -0.89 
assign (resi  138 and name  H51) (resi   55 and name  HE*) 6.500 4.700 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   77 and name  HD*) 6.500 4.700 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   77 and name  HE*) 3.800 2.000 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   77 and name   HZ) 6.500 4.700 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   82 and name HG1*) 7.000 5.200 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   82 and name HG2*) 4.300 2.500 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   83 and name HD1*) 7.000 5.200 0.000 ! -0.48 
assign (resi  138 and name  H51) (resi   86 and name  HZ2) 6.500 4.700 0.000 ! -0.48 
assign (resi  138 and name  H32) (resi   77 and name  HD*) 5.500 3.700 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   77 and name  HE*) 5.500 3.700 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   82 and name   HA) 6.500 4.700 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   82 and name   HB) 6.500 4.700 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   82 and name HG1*) 4.300 2.500 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   82 and name HG2*) 3.500 1.700 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   83 and name HD1*) 7.000 5.200 0.000 ! -0.12 
assign (resi  138 and name  H32) (resi   86 and name  HZ3) 6.500 4.700 0.000 ! -0.12 
assign (resi  138 and name  H31) (resi   82 and name   HA) 6.500 4.700 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   82 and name   HB) 5.500 3.700 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   82 and name HG1*) 4.300 2.500 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   83 and name   HB) 6.500 4.700 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   83 and name HG12) 5.500 2.200 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   83 and name HD1*) 3.500 1.700 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi   86 and name  HD1) 5.500 3.700 0.000 ! 0.43 
assign (resi  138 and name  H31) (resi  109 and name  HE*) 6.500 4.700 0.000 ! 0.43 
assign (resi  138 and name  H52) (resi   55 and name  HD*) 6.500 4.700 0.000 ! 0.52 
!assign (resi  138 and name  H52) (resi   65 and name  HE*) 6.500 4.700 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   77 and name  HD*) 5.500 3.700 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   77 and name  HE*) 3.800 2.000 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   77 and name   HZ) 5.500 3.700 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   82 and name HG2*) 4.300 2.500 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   83 and name HG11) 6.500 3.700 0.000 ! 0.52 
assign (resi  138 and name  H52) (resi   86 and name  HZ2) 5.500 3.700 0.000 ! 0.52 
assign (resi  138 and name  H62) (resi   77 and name  HD*) 5.500 3.700 0.000 ! 2.82 
assign (resi  138 and name  H62) (resi   77 and name  HE*) 3.800 2.000 0.000 ! 2.82 
assign (resi  138 and name  H62) (resi   77 and name   HZ) 6.500 4.700 0.000 ! 2.82 
!assign (resi  138 and name  H62) (resi   82 and name   HA) 3.800 2.000 0.000 ! 2.82 
!assign (resi  138 and name  H62) (resi   82 and name HG1*) 6.000 4.200 0.000 ! 2.82 
!assign (resi  138 and name  H62) (resi   82 and name HG2*) 4.300 2.500 0.000 ! 2.82 
assign (resi  138 and name  H61) (resi   77 and name  HD*) 6.500 4.700 0.000 ! 3.60 
assign (resi  138 and name  H61) (resi   77 and name  HE*) 5.500 3.700 0.000 ! 3.60 
assign (resi  138 and name  H61) (resi   77 and name   HZ) 6.500 4.700 0.000 ! 3.60 
!assign (resi  138 and name  H61) (resi   82 and name   HB) 6.500 4.700 0.000 ! 3.60 
!assign (resi  138 and name  H61) (resi   82 and name HG1*) 7.000 5.200 0.000 ! 3.60 
!assign (resi  138 and name  H61) (resi   82 and name HG2*) 6.000 4.200 0.000 ! 3.60 
assign (resi  138 and name   H2) (resi   77 and name  HD*) 6.500 4.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   77 and name  HE*) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   82 and name   HA) 6.500 4.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   82 and name   HB) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   82 and name HG1*) 6.000 4.200 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   82 and name HG2*) 4.300 2.500 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   83 and name   HB) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   83 and name HG11) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   83 and name HG12) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   83 and name HG2*) 3.500 1.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   83 and name HD1*) 3.500 1.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   86 and name  HD1) 5.500 3.700 0.000 ! 4.61 
assign (resi  138 and name   H2) (resi   86 and name  HZ2) 6.500 4.700 0.000 ! 4.61 
!assign (resi  138 and name   H2) (resi  109 and name  HD*) 6.500 4.700 0.000 ! 4.61 
!assign (resi  138 and name   H2) (resi  109 and name  HE*) 3.800 2.000 0.000 ! 4.61 
!assign (resi  138 and name   H2) (resi  126 and name  HE*) 6.500 4.700 0.000 ! 4.61 
!assign (resi  138 and name   H2) (resi  126 and name   HZ) 3.800 2.000 0.000 ! 4.61 
assign (resi  138 and name  H11) (resi   55 and name  HD*) 6.500 4.700 0.000 ! 1.92 
assign (resi  138 and name  H11) (resi   65 and name  HD*) 6.500 4.700 0.000 ! 1.92 
!assign (resi  138 and name  H11) (resi   82 and name   HA) 5.500 3.700 0.000 ! 1.92 
assign (resi  138 and name  H11) (resi  109 and name  HD*) 5.500 3.700 0.000 ! 1.92 
assign (resi  138 and name  H11) (resi  109 and name  HE*) 3.800 2.000 0.000 ! 1.92 
assign (resi  138 and name  H12) (resi   83 and name HD1*) 6.000 4.200 0.000 ! 1.17 
assign (resi  138 and name  H12) (resi  109 and name  HD*) 5.500 3.700 0.000 ! 1.17 
assign (resi  138 and name  H12) (resi  109 and name  HE*) 5.500 3.700 0.000 ! 1.17 
assign (resi  138 and name  H13) (resi   65 and name  HE*) 6.500 4.700 0.000 ! 2.22 
!assign (resi  138 and name  H13) (resi   83 and name HG2*) 4.300 2.500 0.000 ! 2.22 
assign (resi  138 and name  H13) (resi   83 and name HD1*) 6.000 4.200 0.000 ! 2.22 
assign (resi  138 and name  H13) (resi  109 and name  HD*) 6.500 4.700 0.000 ! 2.22 
assign (resi  138 and name  H13) (resi  109 and name  HE*) 3.800 2.000 0.000 ! 2.22 
assign (resi  138 and name  H14) (resi  109 and name  HD*) 6.500 4.700 0.000 ! 4.44 
assign (resi  138 and name  H14) (resi  109 and name  HE*) 5.500 3.700 0.000 ! 4.44 
assign (resi  138 and name  H30) (resi   77 and name   HA) 5.500 3.700 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   77 and name  HB2) 6.500 4.700 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   77 and name  HD*) 3.800 2.000 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   77 and name  HE*) 6.500 4.700 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   81 and name   HA) 5.500 3.700 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   81 and name  HB1) 3.800 2.000 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   81 and name  HB2) 3.800 2.000 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   81 and name  HG1) 3.800 2.000 0.000 ! 5.09 
assign (resi  138 and name  H30) (resi   81 and name  HG2) 5.500 3.700 0.000 ! 5.09 
assign (resi  138 and name  H67) (resi   77 and name   HA) 5.500 3.700 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   77 and name  HB2) 6.500 4.700 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   77 and name  HD*) 3.800 2.000 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   77 and name  HE*) 5.500 3.700 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   82 and name   HA) 3.800 2.000 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   82 and name HG1*) 6.000 4.200 0.000 ! 3.27 
assign (resi  138 and name  H67) (resi   82 and name HG2*) 4.300 2.500 0.000 ! 3.27 
assign (resi  138 and name  H33) (resi   77 and name  HD*) 6.500 4.700 0.000 ! 2.25 
assign (resi  138 and name  H33) (resi   77 and name  HE*) 6.500 4.700 0.000 ! 2.25 
assign (resi  138 and name  H33) (resi   82 and name   HA) 5.500 3.700 0.000 ! 2.25 
assign (resi  138 and name  H33) (resi   82 and name HG2*) 7.000 5.200 0.000 ! 2.25 
assign (resi  138 and name  H68) (resi   77 and name  HD*) 6.500 4.700 0.000 ! 2.02 
assign (resi  138 and name  H68) (resi   77 and name  HE*) 6.500 4.700 0.000 ! 2.02 
assign (resi  138 and name  H68) (resi   82 and name HG2*) 6.000 4.200 0.000 ! 2.02 
assign (resi  138 and name  H34) (resi   82 and name   HA) 3.000 1.200 0.000 ! 4.96 
assign (resi  138 and name  H34) (resi   82 and name   HB) 5.500 3.700 0.000 ! 4.96 
assign (resi  138 and name  H34) (resi   82 and name HG1*) 4.300 2.500 0.000 ! 4.96 
assign (resi  138 and name  H34) (resi   82 and name HG2*) 3.500 1.700 0.000 ! 4.96 
assign (resi  138 and name  H34) (resi   83 and name HG2*) 3.500 1.700 0.000 ! 4.96 
assign (resi  138 and name  H35) (resi   82 and name   HA) 3.800 2.000 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi   82 and name HG2*) 4.300 2.500 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi   83 and name   HA) 5.500 3.700 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi   83 and name HG2*) 3.500 1.700 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi   83 and name HD1*) 4.300 2.500 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi  109 and name  HD*) 5.500 3.700 0.000 ! 1.75 
assign (resi  138 and name  H35) (resi  109 and name  HE*) 3.800 2.000 0.000 ! 1.75 
assign (resi  138 and name  H7E) (resi   82 and name   HA) 3.800 2.000 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi   82 and name HG1*) 7.000 5.200 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi   82 and name HG2*) 6.000 4.200 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi   83 and name HG2*) 4.300 2.500 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi   83 and name HD1*) 6.000 4.200 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi  109 and name  HD*) 6.500 4.700 0.000 ! 1.36 
assign (resi  138 and name  H7E) (resi  109 and name  HE*) 5.500 3.700 0.000 ! 1.36 
!assign (resi  138 and name  H39) (resi   81 and name   HA) 5.500 3.700 0.000 ! 2.86 
assign (resi  138 and name  H39) (resi   83 and name   HA) 6.500 4.700 0.000 ! 2.86 
assign (resi  138 and name  H39) (resi   83 and name HG2*) 4.300 2.500 0.000 ! 2.86 
assign (resi  138 and name  H39) (resi   83 and name HD1*) 7.000 5.200 0.000 ! 2.86 
assign (resi  138 and name  H39) (resi  109 and name  HD*) 5.500 3.700 0.000 ! 2.86 
assign (resi  138 and name  H39) (resi  109 and name  HE*) 3.800 2.000 0.000 ! 2.86 
assign (resi  138 and name  H64) (resi   65 and name  HE*) 6.500 4.700 0.000 ! 1.57 
assign (resi  138 and name  H64) (resi  109 and name  HE*) 6.500 4.700 0.000 ! 1.57 
assign (resi  138 and name  H25) (resi   81 and name  HG1) 3.800 2.000 0.000 ! 2.10 
assign (resi  138 and name  H38) (resi   83 and name HG2*) 3.500 1.700 0.000 ! 0.52 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi   55 and name  HD*) 6.000 4.200 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi   65 and name  HD*) 4.300 2.500 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi   65 and name  HE*) 4.300 2.500 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi   65 and name   HZ) 4.300 2.500 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi  109 and name  HD*) 4.300 2.500 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi  109 and name  HE*) 4.300 2.500 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi  126 and name  HE*) 7.000 5.200 0.000 ! 0.79 
assign (resi  138 and name  H43 or resi  138 and name  H7F or resi  138 and name  H7G) (resi  126 and name   HZ) 6.000 4.200 0.000 ! 0.79 
assign (resi  138 and name  H46 or resi  138 and name  H7L or resi  138 and name  H7M) (resi   81 and name   HA) 4.300 2.500 0.000 ! 0.89 
assign (resi  138 and name  H46 or resi  138 and name  H7L or resi  138 and name  H7M) (resi   81 and name  HB1) 4.300 2.500 0.000 ! 0.89 
assign (resi  138 and name  H46 or resi  138 and name  H7L or resi  138 and name  H7M) (resi   81 and name  HB2) 6.000 4.200 0.000 ! 0.89 
assign (resi  138 and name  H46 or resi  138 and name  H7L or resi  138 and name  H7M) (resi   81 and name  HG1) 4.300 2.500 0.000 ! 0.89 
assign (resi  138 and name  H46 or resi  138 and name  H7L or resi  138 and name  H7M) (resi   81 and name  HG2) 4.300 2.500 0.000 ! 0.89 
assign (resi  138 and name  H47 or resi  138 and name  H7N or resi  138 and name  H7O) (resi   77 and name   HA) 7.000 5.200 0.000 ! 1.85 
assign (resi  138 and name  H47 or resi  138 and name  H7N or resi  138 and name  H7O) (resi   77 and name  HD*) 4.300 2.500 0.000 ! 1.85 
assign (resi  138 and name  H47 or resi  138 and name  H7N or resi  138 and name  H7O) (resi   77 and name  HE*) 4.300 2.500 0.000 ! 1.85 
assign (resi  138 and name  H47 or resi  138 and name  H7N or resi  138 and name  H7O) (resi   77 and name   HZ) 6.000 4.200 0.000 ! 1.85 
assign (resi  138 and name  H47 or resi  138 and name  H7N or resi  138 and name  H7O) (resi   81 and name  HG1) 4.300 2.500 0.000 ! 1.85 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name   HA) 4.300 2.500 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name  HB1) 3.500 1.700 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name  HB2) 3.500 1.700 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name  HD*) 3.500 1.700 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name  HE*) 3.500 1.700 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   77 and name   HZ) 6.000 4.200 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   82 and name   HA) 3.500 1.700 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   82 and name   HB) 6.000 4.200 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   82 and name HG1*) 4.000 2.200 0.000 ! 0.96 
assign (resi  138 and name  H48 or resi  138 and name  H7P or resi  138 and name  H7Q) (resi   82 and name HG2*) 4.000 2.200 0.000 ! 0.96 
!assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   65 and name  HD*) 6.000 4.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   83 and name   HA) 4.300 2.500 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   83 and name   HB) 6.000 4.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   83 and name HG12) 7.000 5.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   83 and name HG2*) 4.000 2.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   83 and name HD1*) 4.000 2.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi   86 and name  HD1) 7.000 5.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi  109 and name   HA) 6.000 4.200 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi  109 and name  HD*) 4.300 2.500 0.000 ! 0.93 
assign (resi  138 and name  H49 or resi  138 and name  H7R or resi  138 and name  H7S) (resi  109 and name  HE*) 3.500 1.700 0.000 ! 0.93 
assign (resi  138 and name  H50 or resi  138 and name  H7T or resi  138 and name  H7U) (resi   65 and name  HE*) 7.000 5.200 0.000 ! 3.81 
assign (resi  138 and name  H7V or resi  138 and name  H7W or resi  138 and name  H7X) (resi   81 and name   HA) 4.300 2.500 0.000 ! 3.45 
assign (resi  138 and name  H7V or resi  138 and name  H7W or resi  138 and name  H7X) (resi   81 and name  HB1) 6.000 4.200 0.000 ! 3.45 
assign (resi  138 and name  H7V or resi  138 and name  H7W or resi  138 and name  H7X) (resi   81 and name  HG1) 6.000 4.200 0.000 ! 3.45 
assign (resi  138 and name  H7V or resi  138 and name  H7W or resi  138 and name  H7X) (resi   81 and name  HG2) 7.000 5.200 0.000 ! 3.45 
!assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi   65 and name  HD*) 7.000 5.200 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi   83 and name   HA) 6.000 4.200 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi   83 and name HG2*) 4.000 2.200 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi   83 and name HD1*) 4.800 3.000 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi  109 and name   HA) 6.000 4.200 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi  109 and name  HD*) 3.500 1.700 0.000 ! 3.32 
assign (resi  138 and name  H70 or resi  138 and name  H7Y or resi  138 and name  H7Z) (resi  109 and name  HE*) 3.500 1.700 0.000 ! 3.32 



! N 2   Phi Psi
assign (resid  1 and name C ) (resid  2 and name N)
       (resid  2 and name CA) (resid  2 and name C) 1.0   -60.00    10.00  2
assign (resid  2 and name N) (resid  2 and name CA)
       (resid  2 and name C) (resid  3 and name  N) 1.0   -29.00    10.00  2
! K 3   Phi Psi
assign (resid  2 and name C ) (resid  3 and name N)
       (resid  3 and name CA) (resid  3 and name C) 1.0   -69.00    22.00  2
assign (resid  3 and name N) (resid  3 and name CA)
       (resid  3 and name C) (resid  4 and name  N) 1.0   -30.00    10.00  2
! K 4   Phi Psi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0   -69.00    10.00  2
assign (resid  4 and name N) (resid  4 and name CA)
       (resid  4 and name C) (resid  5 and name  N) 1.0   -45.00    10.00  2
! A 5   Phi Psi
assign (resid  4 and name C ) (resid  5 and name N)
       (resid  5 and name CA) (resid  5 and name C) 1.0   -62.00    10.00  2
assign (resid  5 and name N) (resid  5 and name CA)
       (resid  5 and name C) (resid  6 and name  N) 1.0   -42.00    10.00  2
! D 6   Phi Psi
assign (resid  5 and name C ) (resid  6 and name N)
       (resid  6 and name CA) (resid  6 and name C) 1.0   -64.00    10.00  2
assign (resid  6 and name N) (resid  6 and name CA)
       (resid  6 and name C) (resid  7 and name  N) 1.0   -41.00    10.00  2
! E 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0   -66.00    10.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   -44.00    10.00  2
! N 8   Phi Psi
assign (resid  7 and name C ) (resid  8 and name N)
       (resid  8 and name CA) (resid  8 and name C) 1.0   -68.00    10.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   -28.00    10.00  2
! K 9   Phi Psi
assign (resid  8 and name C ) (resid  9 and name N)
       (resid  9 and name CA) (resid  9 and name C) 1.0   -67.00    10.00  2
assign (resid  9 and name N) (resid  9 and name CA)
       (resid  9 and name C) (resid  10 and name  N) 1.0   -40.00    10.00  2
! V 10  Phi Psi
assign (resid  9 and name C ) (resid  10 and name N)
       (resid  10 and name CA) (resid  10 and name C) 1.0   -68.00    10.00  2
assign (resid  10 and name N) (resid  10 and name CA)
       (resid  10 and name C) (resid  11 and name  N) 1.0   -42.00    10.00  2
! K 11  Phi Psi
assign (resid  10 and name C ) (resid  11 and name N)
       (resid  11 and name CA) (resid  11 and name C) 1.0   -63.00    15.00  2
assign (resid  11 and name N) (resid  11 and name CA)
       (resid  11 and name C) (resid  12 and name  N) 1.0   -42.00    15.00  2
! G 12  Phi Psi
assign (resid  11 and name C ) (resid  12 and name N)
       (resid  12 and name CA) (resid  12 and name C) 1.0   -66.00    10.00  2
assign (resid  12 and name N) (resid  12 and name CA)
       (resid  12 and name C) (resid  13 and name  N) 1.0   -43.00    10.00  2
! E 13  Phi Psi
assign (resid  12 and name C ) (resid  13 and name N)
       (resid  13 and name CA) (resid  13 and name C) 1.0   -67.00    10.00  2
assign (resid  13 and name N) (resid  13 and name CA)
       (resid  13 and name C) (resid  14 and name  N) 1.0   -35.00    10.00  2
! A 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0   -68.00    10.00  2
assign (resid  14 and name N) (resid  14 and name CA)
       (resid  14 and name C) (resid  15 and name  N) 1.0   -34.00    10.00  2
! F 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0   -64.00    10.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -46.00    10.00  2
! L 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -64.00    10.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -43.00    10.00  2
! T 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -68.00    10.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -40.00    10.00  2
! E 18  Phi Psi
assign (resid  17 and name C ) (resid  18 and name N)
       (resid  18 and name CA) (resid  18 and name C) 1.0   -63.00    10.00  2
assign (resid  18 and name N) (resid  18 and name CA)
       (resid  18 and name C) (resid  19 and name  N) 1.0   -43.00    10.00  2
! N 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0   -63.00    10.00  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   -34.00    10.00  2
! K 20  Phi Psi
assign (resid  19 and name C ) (resid  20 and name N)
       (resid  20 and name CA) (resid  20 and name C) 1.0   -51.00    10.00  2
assign (resid  20 and name N) (resid  20 and name CA)
       (resid  20 and name C) (resid  21 and name  N) 1.0   -32.00    10.00  2
! N 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0   -80.00    10.00  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  22 and name  N) 1.0   -43.00    15.00  2
! K 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0   -40.00    20.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   140.00    20.00  2
! P 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0   -46.00    10.00  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   137.00    10.00  2
! G 24  Phi Psi
assign (resid  23 and name C ) (resid  24 and name N)
       (resid  24 and name CA) (resid  24 and name C) 1.0    77.00    10.00  2
assign (resid  24 and name N) (resid  24 and name CA)
       (resid  24 and name C) (resid  25 and name  N) 1.0    -7.00    10.00  2
! V 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0  -100.00    30.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   137.00    15.00  2
! V 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0  -108.00    32.00  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0   128.00    15.00  2
! L 28  Phi Psi
assign (resid  27 and name C ) (resid  28 and name N)
       (resid  28 and name CA) (resid  28 and name C) 1.0  -105.00    10.00  2
assign (resid  28 and name N) (resid  28 and name CA)
       (resid  28 and name C) (resid  29 and name  N) 1.0   165.00    15.00  2
! P 29  Phi Psi
assign (resid  28 and name C ) (resid  29 and name N)
       (resid  29 and name CA) (resid  29 and name C) 1.0   -52.00    10.00  2
assign (resid  29 and name N) (resid  29 and name CA)
       (resid  29 and name C) (resid  30 and name  N) 1.0   -41.00    10.00  2
! S 30  Phi Psi
assign (resid  29 and name C ) (resid  30 and name N)
       (resid  30 and name CA) (resid  30 and name C) 1.0   -80.00    10.00  2
assign (resid  30 and name N) (resid  30 and name CA)
       (resid  30 and name C) (resid  31 and name  N) 1.0    -6.00    10.00  2
! G 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0    91.00    10.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0    -2.00    15.00  2
! L 32  Phi Psi
assign (resid  31 and name C ) (resid  32 and name N)
       (resid  32 and name CA) (resid  32 and name C) 1.0   -73.00    10.00  2
assign (resid  32 and name N) (resid  32 and name CA)
       (resid  32 and name C) (resid  33 and name  N) 1.0   145.00    10.00  2
! Q 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0  -115.00    10.00  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0   149.00    10.00  2
! Y 34  Phi Psi
assign (resid  33 and name C ) (resid  34 and name N)
       (resid  34 and name CA) (resid  34 and name C) 1.0  -145.00    15.00  2
assign (resid  34 and name N) (resid  34 and name CA)
       (resid  34 and name C) (resid  35 and name  N) 1.0   159.00    15.00  2
! K 35  Phi Psi
assign (resid  34 and name C ) (resid  35 and name N)
       (resid  35 and name CA) (resid  35 and name C) 1.0  -135.00    10.00  2
assign (resid  35 and name N) (resid  35 and name CA)
       (resid  35 and name C) (resid  36 and name  N) 1.0   128.00    10.00  2
! V 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -83.00    10.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   115.00    10.00  2
! S 39  Phi Psi
assign (resid  38 and name C ) (resid  39 and name N)
       (resid  39 and name CA) (resid  39 and name C) 1.0   -90.00    15.00  2
assign (resid  39 and name N) (resid  39 and name CA)
       (resid  39 and name C) (resid  40 and name  N) 1.0   130.00    15.00  2
! G 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0   -69.00   20.00  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0  -180.00   20.00  2
! V 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0   -80.00    10.00  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   155.00    15.00  2
! K 44  Phi Psi
assign (resid  43 and name C ) (resid  44 and name N)
       (resid  44 and name CA) (resid  44 and name C) 1.0   140.00    15.00  2
assign (resid  44 and name N) (resid  44 and name CA)
       (resid  44 and name C) (resid  45 and name  N) 1.0   -180.00    20.00  2
! P 45  Phi Psi
assign (resid  44 and name C ) (resid  45 and name N)
       (resid  45 and name CA) (resid  45 and name C) 1.0   -70.00    15.00  2
assign (resid  45 and name N) (resid  45 and name CA)
       (resid  45 and name C) (resid  46 and name  N) 1.0   150.00    15.00  2
! G 46  Phi Psi
assign (resid  45 and name C ) (resid  46 and name N)
       (resid  46 and name CA) (resid  46 and name C) 1.0   -90.00    15.00  2
assign (resid  46 and name N) (resid  46 and name CA)
       (resid  46 and name C) (resid  47 and name  N) 1.0   164.00    15.00  2
! K 47  Phi Psi
assign (resid  46 and name C ) (resid  47 and name N)
       (resid  47 and name CA) (resid  47 and name C) 1.0   -61.00    15.00  2
assign (resid  47 and name N) (resid  47 and name CA)
       (resid  47 and name C) (resid  48 and name  N) 1.0   -29.00    15.00  2
! S 48  Phi Psi
assign (resid  47 and name C ) (resid  48 and name N)
       (resid  48 and name CA) (resid  48 and name C) 1.0   -97.00    10.00  2
assign (resid  48 and name N) (resid  48 and name CA)
       (resid  48 and name C) (resid  49 and name  N) 1.0    -4.00    10.00  2
! D 49  Phi Psi
assign (resid  48 and name C ) (resid  49 and name N)
       (resid  49 and name CA) (resid  49 and name C) 1.0   -74.00    15.00  2
assign (resid  49 and name N) (resid  49 and name CA)
       (resid  49 and name C) (resid  50 and name  N) 1.0   155.00    15.00  2
! T 50  Phi Psi
assign (resid  49 and name C ) (resid  50 and name N)
       (resid  50 and name CA) (resid  50 and name C) 1.0  -110.00    15.00  2
assign (resid  50 and name N) (resid  50 and name CA)
       (resid  50 and name C) (resid  51 and name  N) 1.0   135.00    15.00  2
! V 51  Phi Psi
assign (resid  50 and name C ) (resid  51 and name N)
       (resid  51 and name CA) (resid  51 and name C) 1.0  -131.00    15.00  2
assign (resid  51 and name N) (resid  51 and name CA)
       (resid  51 and name C) (resid  52 and name  N) 1.0   155.00    20.00  2
! T 52  Phi Psi
assign (resid  51 and name C ) (resid  52 and name N)
       (resid  52 and name CA) (resid  52 and name C) 1.0  -122.00    10.00  2
assign (resid  52 and name N) (resid  52 and name CA)
       (resid  52 and name C) (resid  53 and name  N) 1.0   138.00    15.00  2
! V 53  Phi Psi
assign (resid  52 and name C ) (resid  53 and name N)
       (resid  53 and name CA) (resid  53 and name C) 1.0  -132.00    15.00  2
assign (resid  53 and name N) (resid  53 and name CA)
       (resid  53 and name C) (resid  54 and name  N) 1.0   160.00    20.00  2
! E 54  Phi Psi
assign (resid  53 and name C ) (resid  54 and name N)
       (resid  54 and name CA) (resid  54 and name C) 1.0  -131.00    10.00  2
assign (resid  54 and name N) (resid  54 and name CA)
       (resid  54 and name C) (resid  55 and name  N) 1.0   148.00    15.00  2
! Y 55  Phi Psi
assign (resid  54 and name C ) (resid  55 and name N)
       (resid  55 and name CA) (resid  55 and name C) 1.0  -159.00    15.00  2
assign (resid  55 and name N) (resid  55 and name CA)
       (resid  55 and name C) (resid  56 and name  N) 1.0   158.00    15.00  2
! T 56  Phi Psi
assign (resid  55 and name C ) (resid  56 and name N)
       (resid  56 and name CA) (resid  56 and name C) 1.0  -137.00    15.00  2
assign (resid  56 and name N) (resid  56 and name CA)
       (resid  56 and name C) (resid  57 and name  N) 1.0   129.00    15.00  2
! G 57  Phi Psi
assign (resid  56 and name C ) (resid  57 and name N)
       (resid  57 and name CA) (resid  57 and name C) 1.0  -126.00    15.00  2
assign (resid  57 and name N) (resid  57 and name CA)
       (resid  57 and name C) (resid  58 and name  N) 1.0   127.00    20.00  2
! R 58  Phi Psi
assign (resid  57 and name C ) (resid  58 and name N)
       (resid  58 and name CA) (resid  58 and name C) 1.0  -127.00    20.00  2
assign (resid  58 and name N) (resid  58 and name CA)
       (resid  58 and name C) (resid  59 and name  N) 1.0   160.00    10.00  2
! L 59  Phi Psi
assign (resid  58 and name C ) (resid  59 and name N)
       (resid  59 and name CA) (resid  59 and name C) 1.0   -83.00    10.00  2
assign (resid  59 and name N) (resid  59 and name CA)
       (resid  59 and name C) (resid  60 and name  N) 1.0   155.00    10.00  2
! I 60  Phi Psi
assign (resid  59 and name C ) (resid  60 and name N)
       (resid  60 and name CA) (resid  60 and name C) 1.0   -49.00    10.00  2
assign (resid  60 and name N) (resid  60 and name CA)
       (resid  60 and name C) (resid  61 and name  N) 1.0   -26.00    15.00  2
! G 62  Phi Psi
assign (resid  61 and name C ) (resid  62 and name N)
       (resid  62 and name CA) (resid  62 and name C) 1.0    80.00    10.00  2
assign (resid  62 and name N) (resid  62 and name CA)
       (resid  62 and name C) (resid  63 and name  N) 1.0    -18.00   15.00  2
! V 64  Phi Psi
assign (resid  63 and name C ) (resid  64 and name N)
       (resid  64 and name CA) (resid  64 and name C) 1.0   -71.00    10.00  2
assign (resid  64 and name N) (resid  64 and name CA)
       (resid  64 and name C) (resid  65 and name  N) 1.0   126.00    12.00  2
! F 65  Phi Psi
assign (resid  64 and name C ) (resid  65 and name N)
       (resid  65 and name CA) (resid  65 and name C) 1.0   -110.00   10.00  2
assign (resid  65 and name N) (resid  65 and name CA)
       (resid  65 and name C) (resid  66 and name  N) 1.0   -17.00    10.00  2
! D 66  Phi Psi
assign (resid  65 and name C ) (resid  66 and name N)
       (resid  66 and name CA) (resid  66 and name C) 1.0  -158.00    15.00  2
assign (resid  66 and name N) (resid  66 and name CA)
       (resid  66 and name C) (resid  67 and name  N) 1.0   145.00    15.00  2
! E 69  Phi Psi
assign (resid  68 and name C ) (resid  69 and name N)
       (resid  69 and name CA) (resid  69 and name C) 1.0   -65.00    10.00  2
assign (resid  69 and name N) (resid  69 and name CA)
       (resid  69 and name C) (resid  70 and name  N) 1.0   -46.00    15.00  2
! K 70  Phi Psi
assign (resid  69 and name C ) (resid  70 and name N)
       (resid  70 and name CA) (resid  70 and name C) 1.0   -56.00    15.00  2
assign (resid  70 and name N) (resid  70 and name CA)
       (resid  70 and name C) (resid  71 and name  N) 1.0   -52.00    15.00  2
! T 71  Phi Psi
assign (resid  70 and name C ) (resid  71 and name N)
       (resid  71 and name CA) (resid  71 and name C) 1.0   -67.00    15.00  2
assign (resid  71 and name N) (resid  71 and name CA)
       (resid  71 and name C) (resid  72 and name  N) 1.0   -20.00    15.00  2
! G 72  Phi Psi
assign (resid  71 and name C ) (resid  72 and name N)
       (resid  72 and name CA) (resid  72 and name C) 1.0    75.00    20.00  2
assign (resid  72 and name N) (resid  72 and name CA)
       (resid  72 and name C) (resid  73 and name  N) 1.0    -5.00    20.00  2
! K 73  Phi Psi
assign (resid  72 and name C ) (resid  73 and name N)
       (resid  73 and name CA) (resid  73 and name C) 1.0  -105.65    20.00  2
assign (resid  73 and name N) (resid  73 and name CA)
       (resid  73 and name C) (resid  74 and name  N) 1.0   137.97    20.02  2
! P 74  Phi Psi
assign (resid  73 and name C ) (resid  74 and name N)
       (resid  74 and name CA) (resid  74 and name C) 1.0   -55.00   15.00  2
assign (resid  74 and name N) (resid  74 and name CA)
       (resid  74 and name C) (resid  75 and name  N) 1.0   160.00    15.00  2
! A 75  Phi Psi
assign (resid  74 and name C ) (resid  75 and name N)
       (resid  75 and name CA) (resid  75 and name C) 1.0  -110.00    15.00  2
assign (resid  75 and name N) (resid  75 and name CA)
       (resid  75 and name C) (resid  76 and name  N) 1.0   150.00    25.00  2
! T 76  Phi Psi
assign (resid  75 and name C ) (resid  76 and name N)
       (resid  76 and name CA) (resid  76 and name C) 1.0  -120.00    15.00  2
assign (resid  76 and name N) (resid  76 and name CA)
       (resid  76 and name C) (resid  77 and name  N) 1.0   130.00    20.00  2
! F 77  Phi Psi
assign (resid  76 and name C ) (resid  77 and name N)
       (resid  77 and name CA) (resid  77 and name C) 1.0  -143.00    15.00  2
assign (resid  77 and name N) (resid  77 and name CA)
       (resid  77 and name C) (resid  78 and name  N) 1.0   156.00    15.00  2
! Q 78  Phi Psi
assign (resid  77 and name C ) (resid  78 and name N)
       (resid  78 and name CA) (resid  78 and name C) 1.0   -92.00    10.00  2
assign (resid  78 and name N) (resid  78 and name CA)
       (resid  78 and name C) (resid  79 and name  N) 1.0   136.00    10.00  2
! S 80  Phi Psi
assign (resid  79 and name C ) (resid  80 and name N)
       (resid  80 and name CA) (resid  80 and name C) 1.0   -85.00    10.00  2
assign (resid  80 and name N) (resid  80 and name CA)
       (resid  80 and name C) (resid  81 and name  N) 1.0   -13.00    10.00  2
! Q 81  Phi Psi
assign (resid  80 and name C ) (resid  81 and name N)
       (resid  81 and name CA) (resid  81 and name C) 1.0   -88.00    10.00  2
assign (resid  81 and name N) (resid  81 and name CA)
       (resid  81 and name C) (resid  82 and name  N) 1.0    -5.00    10.00  2
! I 83  Phi Psi
assign (resid  82 and name C ) (resid  83 and name N)
       (resid  83 and name CA) (resid  83 and name C) 1.0   -72.00    15.00  2
assign (resid  83 and name N) (resid  83 and name CA)
       (resid  83 and name C) (resid  84 and name  N) 1.0   150.00    10.00  2
! P 84  Phi Psi
assign (resid  83 and name C ) (resid  84 and name N)
       (resid  84 and name CA) (resid  84 and name C) 1.0   -44.00    10.00  2
assign (resid  84 and name N) (resid  84 and name CA)
       (resid  84 and name C) (resid  85 and name  N) 1.0   -50.00    10.00  2
! G 85  Phi Psi
assign (resid  84 and name C ) (resid  85 and name N)
       (resid  85 and name CA) (resid  85 and name C) 1.0   -50.00    10.00  2
assign (resid  85 and name N) (resid  85 and name CA)
       (resid  85 and name C) (resid  86 and name  N) 1.0   -38.00    10.00  2
! W 86  Phi Psi
assign (resid  85 and name C ) (resid  86 and name N)
       (resid  86 and name CA) (resid  86 and name C) 1.0   -65.00    10.00  2
assign (resid  86 and name N) (resid  86 and name CA)
       (resid  86 and name C) (resid  87 and name  N) 1.0   -43.00    10.00  2
! T 87  Phi Psi
assign (resid  86 and name C ) (resid  87 and name N)
       (resid  87 and name CA) (resid  87 and name C) 1.0   -63.00    10.00  2
assign (resid  87 and name N) (resid  87 and name CA)
       (resid  87 and name C) (resid  88 and name  N) 1.0   -44.00    10.00  2
! E 88  Phi Psi
assign (resid  87 and name C ) (resid  88 and name N)
       (resid  88 and name CA) (resid  88 and name C) 1.0   -60.00    10.00  2
assign (resid  88 and name N) (resid  88 and name CA)
       (resid  88 and name C) (resid  89 and name  N) 1.0   -41.00    10.00  2
! A 89  Phi Psi
assign (resid  88 and name C ) (resid  89 and name N)
       (resid  89 and name CA) (resid  89 and name C) 1.0   -65.00    10.00  2
assign (resid  89 and name N) (resid  89 and name CA)
       (resid  89 and name C) (resid  90 and name  N) 1.0   -42.00    10.00  2
! L 90  Phi Psi
assign (resid  89 and name C ) (resid  90 and name N)
       (resid  90 and name CA) (resid  90 and name C) 1.0   -47.00    10.00  2
assign (resid  90 and name N) (resid  90 and name CA)
       (resid  90 and name C) (resid  91 and name  N) 1.0   -36.00    10.00  2
! Q 91  Phi Psi
assign (resid  90 and name C ) (resid  91 and name N)
       (resid  91 and name CA) (resid  91 and name C) 1.0   -66.39    15.00  2
assign (resid  91 and name N) (resid  91 and name CA)
       (resid  91 and name C) (resid  92 and name  N) 1.0   -13.73    10.00  2
! L 92  Phi Psi
assign (resid  91 and name C ) (resid  92 and name N)
       (resid  92 and name CA) (resid  92 and name C) 1.0  -101.00    10.00  2
assign (resid  92 and name N) (resid  92 and name CA)
       (resid  92 and name C) (resid  93 and name  N) 1.0   -23.00    15.00  2
! M 93  Phi Psi
assign (resid  92 and name C ) (resid  93 and name N)
       (resid  93 and name CA) (resid  93 and name C) 1.0   -79.00    15.00  2
assign (resid  93 and name N) (resid  93 and name CA)
       (resid  93 and name C) (resid  94 and name  N) 1.0   124.00    15.00  2
! P 94  Phi Psi
assign (resid  93 and name C ) (resid  94 and name N)
       (resid  94 and name CA) (resid  94 and name C) 1.0   -70.00    15.00  2
assign (resid  94 and name N) (resid  94 and name CA)
       (resid  94 and name C) (resid  95 and name  N) 1.0   137.00    10.00  2
! A 95  Phi Psi
assign (resid  94 and name C ) (resid  95 and name N)
       (resid  95 and name CA) (resid  95 and name C) 1.0   -56.00    10.00  2
assign (resid  95 and name N) (resid  95 and name CA)
       (resid  95 and name C) (resid  96 and name  N) 1.0   138.00    10.00  2
! G 96  Phi Psi
assign (resid  95 and name C ) (resid  96 and name N)
       (resid  96 and name CA) (resid  96 and name C) 1.0    95.00    10.00  2
assign (resid  96 and name N) (resid  96 and name CA)
       (resid  96 and name C) (resid  97 and name  N) 1.0    -8.00    10.00  2
! W 99  Phi Psi
assign (resid  98 and name C ) (resid  99 and name N)
       (resid  99 and name CA) (resid  99 and name C) 1.0   -122.00    10.00  2
assign (resid  99 and name N) (resid  99 and name CA)
       (resid  99 and name C) (resid  100 and name  N) 1.0   160.00    10.00  2
! E 100 Phi Psi
assign (resid  99 and name C ) (resid  100 and name N)
       (resid  100 and name CA) (resid  100 and name C) 1.0  -115.00    15.00  2
assign (resid  100 and name N) (resid  100 and name CA)
       (resid  100 and name C) (resid  101 and name  N) 1.0   125.00    15.00  2
! I 101 Phi Psi
assign (resid  100 and name C ) (resid  101 and name N)
       (resid  101 and name CA) (resid  101 and name C) 1.0  -119.00    15.00  2
assign (resid  101 and name N) (resid  101 and name CA)
       (resid  101 and name C) (resid  102 and name  N) 1.0   150.00    10.00  2
! Y 102 Phi Psi
assign (resid  101 and name C ) (resid  102 and name N)
       (resid  102 and name CA) (resid  102 and name C) 1.0  -124.00    10.00  2
assign (resid  102 and name N) (resid  102 and name CA)
       (resid  102 and name C) (resid  103 and name  N) 1.0   120.00    15.00  2
! V 103 Phi Psi
assign (resid  102 and name C ) (resid  103 and name N)
       (resid  103 and name CA) (resid  103 and name C) 1.0  -103.00    10.00  2
assign (resid  103 and name N) (resid  103 and name CA)
       (resid  103 and name C) (resid  104 and name  N) 1.0   103.00    10.00  2
! P 104 Phi Psi
assign (resid  103 and name C ) (resid  104 and name N)
       (resid  104 and name CA) (resid  104 and name C) 1.0   -62.00    10.00  2
assign (resid  104 and name N) (resid  104 and name CA)
       (resid  104 and name C) (resid  105 and name  N) 1.0   139.00    10.00  2
! S 105 Phi Psi
assign (resid  104 and name C ) (resid  105 and name N)
       (resid  105 and name CA) (resid  105 and name C) 1.0   -59.00    10.00  2
assign (resid  105 and name N) (resid  105 and name CA)
       (resid  105 and name C) (resid  106 and name  N) 1.0   -34.00    10.00  2
! G 106 Phi Psi
assign (resid  105 and name C ) (resid  106 and name N)
       (resid  106 and name CA) (resid  106 and name C) 1.0   -68.00    10.00  2
assign (resid  106 and name N) (resid  106 and name CA)
       (resid  106 and name C) (resid  107 and name  N) 1.0   -21.00    10.00  2
! L 107 Phi Psi
assign (resid  106 and name C ) (resid  107 and name N)
       (resid  107 and name CA) (resid  107 and name C) 1.0   -98.00    15.00  2
assign (resid  107 and name N) (resid  107 and name CA)
       (resid  107 and name C) (resid  108 and name  N) 1.0   -14.00    15.00  2
! A 108 Phi Psi
assign (resid  107 and name C ) (resid  108 and name N)
       (resid  108 and name CA) (resid  108 and name C) 1.0  -120.00    10.00  2
assign (resid  108 and name N) (resid  108 and name CA)
       (resid  108 and name C) (resid  109 and name  N) 1.0  -115.00    10.00  2
! Y 109 Phi Psi
assign (resid  108 and name C ) (resid  109 and name N)
       (resid  109 and name CA) (resid  109 and name C) 1.0   -110.00   20.00  2
assign (resid  109 and name N) (resid  109 and name CA)
       (resid  109 and name C) (resid  110 and name  N) 1.0    -7.00    10.00  2
! P 111 Phi Psi
assign (resid  110 and name C ) (resid  111 and name N)
       (resid  111 and name CA) (resid  111 and name C) 1.0   -69.00    10.00  2
assign (resid  111 and name N) (resid  111 and name CA)
       (resid  111 and name C) (resid  112 and name  N) 1.0   -20.00    10.00  2
! R 112 Phi Psi
assign (resid  111 and name C ) (resid  112 and name N)
       (resid  112 and name CA) (resid  112 and name C) 1.0  -100.00    20.00  2
assign (resid  112 and name N) (resid  112 and name CA)
       (resid  112 and name C) (resid  113 and name  N) 1.0   155.00    15.00  2
! V 114 Phi Psi
assign (resid  113 and name C ) (resid  114 and name N)
       (resid  114 and name CA) (resid  114 and name C) 1.0  -100.00    10.00  2
assign (resid  114 and name N) (resid  114 and name CA)
       (resid  114 and name C) (resid  115 and name  N) 1.0     40.00   20.00  2
! G 116 Phi Psi
assign (resid  115 and name C ) (resid  116 and name N)
       (resid  116 and name CA) (resid  116 and name C) 1.0   -60.00    20.00  2
assign (resid  116 and name N) (resid  116 and name CA)
       (resid  116 and name C) (resid  117 and name  N) 1.0  -130.00    20.00  2
! P 117 Phi Psi
assign (resid  116 and name C ) (resid  117 and name N)
       (resid  117 and name CA) (resid  117 and name C) 1.0   -65.00    10.00  2
assign (resid  117 and name N) (resid  117 and name CA)
       (resid  117 and name C) (resid  118 and name  N) 1.0   -24.00    10.00  2
! I 118 Phi Psi
assign (resid  117 and name C ) (resid  118 and name N)
       (resid  118 and name CA) (resid  118 and name C) 1.0   -80.00    10.00  2
assign (resid  118 and name N) (resid  118 and name CA)
       (resid  118 and name C) (resid  119 and name  N) 1.0   125.00    10.00  2
! P 120 Phi Psi
assign (resid  119 and name C ) (resid  120 and name N)
       (resid  120 and name CA) (resid  120 and name C) 1.0   -61.00    20.00  2
assign (resid  120 and name N) (resid  120 and name CA)
       (resid  120 and name C) (resid  121 and name  N) 1.0   142.00    10.00  2
! N 121 Phi Psi
assign (resid  120 and name C ) (resid  121 and name N)
       (resid  121 and name CA) (resid  121 and name C) 1.0    40.00    20.00  2
assign (resid  121 and name N) (resid  121 and name CA)
       (resid  121 and name C) (resid  122 and name  N) 1.0    49.00    10.00  2
! E 122 Phi Psi
assign (resid  121 and name C ) (resid  122 and name N)
       (resid  122 and name CA) (resid  122 and name C) 1.0   -93.00    20.00  2
assign (resid  122 and name N) (resid  122 and name CA)
       (resid  122 and name C) (resid  123 and name  N) 1.0   130.00    15.00  2
! T 123 Phi Psi
assign (resid  122 and name C ) (resid  123 and name N)
       (resid  123 and name CA) (resid  123 and name C) 1.0   -85.00    10.00  2
assign (resid  123 and name N) (resid  123 and name CA)
       (resid  123 and name C) (resid  124 and name  N) 1.0   140.00    10.00  2
! L 124 Phi Psi
assign (resid  123 and name C ) (resid  124 and name N)
       (resid  124 and name CA) (resid  124 and name C) 1.0  -118.00    10.00  2
assign (resid  124 and name N) (resid  124 and name CA)
       (resid  124 and name C) (resid  125 and name  N) 1.0   150.00    15.00  2
! I 125 Phi Psi
assign (resid  124 and name C ) (resid  125 and name N)
       (resid  125 and name CA) (resid  125 and name C) 1.0  -126.00    10.00  2
assign (resid  125 and name N) (resid  125 and name CA)
       (resid  125 and name C) (resid  126 and name  N) 1.0   138.00    10.00  2
! F 126 Phi Psi
assign (resid  125 and name C ) (resid  126 and name N)
       (resid  126 and name CA) (resid  126 and name C) 1.0  -130.00    10.00  2
assign (resid  126 and name N) (resid  126 and name CA)
       (resid  126 and name C) (resid  127 and name  N) 1.0   143.00    10.00  2
! K 127 Phi Psi
assign (resid  126 and name C ) (resid  127 and name N)
       (resid  127 and name CA) (resid  127 and name C) 1.0  -112.00    10.00  2
assign (resid  127 and name N) (resid  127 and name CA)
       (resid  127 and name C) (resid  128 and name  N) 1.0   120.00    15.00  2
! I 128 Phi Psi
assign (resid  127 and name C ) (resid  128 and name N)
       (resid  128 and name CA) (resid  128 and name C) 1.0  -118.00    15.00  2
assign (resid  128 and name N) (resid  128 and name CA)
       (resid  128 and name C) (resid  129 and name  N) 1.0   129.00    10.00  2
! H 129 Phi Psi
assign (resid  128 and name C ) (resid  129 and name N)
       (resid  129 and name CA) (resid  129 and name C) 1.0  -103.00    15.00  2
assign (resid  129 and name N) (resid  129 and name CA)
       (resid  129 and name C) (resid  130 and name  N) 1.0   121.00    20.00  2
! L 130 Phi Psi
assign (resid  129 and name C ) (resid  130 and name N)
       (resid  130 and name CA) (resid  130 and name C) 1.0   -90.00    10.00  2
assign (resid  130 and name N) (resid  130 and name CA)
       (resid  130 and name C) (resid  131 and name  N) 1.0   113.00    10.00  2
! I 131 Phi Psi
assign (resid  130 and name C ) (resid  131 and name N)
       (resid  131 and name CA) (resid  131 and name C) 1.0   -84.00    10.00  2
assign (resid  131 and name N) (resid  131 and name CA)
       (resid  131 and name C) (resid  132 and name  N) 1.0   -46.00    10.00  2
! S 132 Phi Psi
assign (resid  131 and name C ) (resid  132 and name N)
       (resid  132 and name CA) (resid  132 and name C) 1.0  -153.00    10.00  2
assign (resid  132 and name N) (resid  132 and name CA)
       (resid  132 and name C) (resid  133 and name  N) 1.0   155.00    10.00  2
! V 133 Phi Psi
assign (resid  132 and name C ) (resid  133 and name N)
       (resid  133 and name CA) (resid  133 and name C) 1.0  -123.00    15.00  2
assign (resid  133 and name N) (resid  133 and name CA)
       (resid  133 and name C) (resid  134 and name  N) 1.0   131.00    15.00  2


assign (resid  55 and name  OH) (resid  55 and name  HH) (resid 138 and name  O4)
assign (resid 138 and name  O6) (resid 138 and name H71) (resid  66 and name OD1)
assign (resid 138 and name  O6) (resid 138 and name H71) (resid  66 and name OD2)
assign (resid  83 and name   N) (resid 138 and name  HN) (resid 138 and name  O1)
assign (resid 109 and name  OH) (resid 109 and name  HH) (resid 138 and name  O3)


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H1       PHE   1  93.327  28.063   5.589
    2    H2   PHE   1           H2       PHE   1  92.901  28.022   3.945
    3    H3   PHE   1           H3       PHE   1  91.692  28.125   5.129
    4    HA   PHE   1           HA       PHE   1  91.885  25.932   5.751
    5    HB2  PHE   1           HB2      PHE   1  92.730  25.958   2.833
    6    HB3  PHE   1           HB3      PHE   1  91.928  24.631   3.674
    7    HD1  PHE   1           HD1      PHE   1  89.569  24.817   4.373
    8    HD2  PHE   1           HD2      PHE   1  91.523  27.960   2.191
    9    HE1  PHE   1           HE1      PHE   1  87.366  25.841   3.872
   10    HE2  PHE   1           HE2      PHE   1  89.320  28.986   1.691
   11    HZ   PHE   1           HZ       PHE   1  87.241  27.924   2.533

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ASN   2           H        ASN   2  94.773  27.486   4.953
    2    HA   ASN   2           HA       ASN   2  96.580  25.326   4.721
    3    HB2  ASN   2           HB2      ASN   2  96.931  28.147   5.730
    4    HB3  ASN   2           HB3      ASN   2  98.267  27.003   5.631
    5   HD21  ASN   2          HD21      ASN   2  96.749  29.427   3.895
    6   HD22  ASN   2          HD22      ASN   2  97.205  28.961   2.329

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS   3           H        LYS   3  94.742  26.533   7.330
    2    HA   LYS   3           HA       LYS   3  96.234  25.982   9.577
    3    HB2  LYS   3           HB2      LYS   3  94.171  26.936  10.003
    4    HB3  LYS   3           HB3      LYS   3  93.376  25.864   8.892
    5    HG2  LYS   3           HG2      LYS   3  94.084  24.025  10.772
    6    HG3  LYS   3           HG3      LYS   3  94.025  25.455  11.782
    7    HD2  LYS   3           HD2      LYS   3  91.839  24.626  11.915
    8    HD3  LYS   3           HD3      LYS   3  91.695  25.845  10.647
    9    HE2  LYS   3           HE2      LYS   3  92.130  23.978   8.981
   10    HE3  LYS   3           HE3      LYS   3  91.979  22.856  10.317
   11    HZ1  LYS   3           HZ1      LYS   3  89.832  24.738  10.237
   12    HZ2  LYS   3           HZ2      LYS   3  89.931  23.823   8.808
   13    HZ3  LYS   3           HZ3      LYS   3  89.780  23.044  10.310

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LYS   4           H        LYS   4  94.436  23.809   7.477
    2    HA   LYS   4           HA       LYS   4  94.838  21.468   8.972
    3    HB2  LYS   4           HB2      LYS   4  93.280  22.088   6.902
    4    HB3  LYS   4           HB3      LYS   4  94.578  21.317   5.989
    5    HG2  LYS   4           HG2      LYS   4  93.174  20.056   8.371
    6    HG3  LYS   4           HG3      LYS   4  92.692  19.786   6.706
    7    HD2  LYS   4           HD2      LYS   4  95.428  19.261   6.645
    8    HD3  LYS   4           HD3      LYS   4  94.939  18.631   8.211
    9    HE2  LYS   4           HE2      LYS   4  93.111  17.347   7.094
   10    HE3  LYS   4           HE3      LYS   4  93.710  17.903   5.533
   11    HZ1  LYS   4           HZ1      LYS   4  95.304  16.368   7.509
   12    HZ2  LYS   4           HZ2      LYS   4  94.541  15.690   6.151
   13    HZ3  LYS   4           HZ3      LYS   4  95.793  16.816   5.946

  No H/Q in entry =          13
  In of MODEL    1
    1    H    ALA   5           H        ALA   5  96.762  23.064   6.500
    2    HA   ALA   5           HA       ALA   5  98.636  21.114   5.850
    3    HB1  ALA   5           HB1      ALA   5 100.028  22.910   5.135
    4    HB2  ALA   5           HB2      ALA   5  99.320  24.010   6.295
    5    HB3  ALA   5           HB3      ALA   5  98.377  23.486   4.909

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ASP   6           H        ASP   6  98.444  23.214   8.627
    2    HA   ASP   6           HA       ASP   6 100.978  22.583   9.716
    3    HB2  ASP   6           HB2      ASP   6  98.429  23.552  10.957
    4    HB3  ASP   6           HB3      ASP   6  99.928  23.351  11.843

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU   7           H        GLU   7  97.756  21.093  10.024
    2    HA   GLU   7           HA       GLU   7  98.421  19.314  12.123
    3    HB2  GLU   7           HB2      GLU   7  96.403  18.841   9.984
    4    HB3  GLU   7           HB3      GLU   7  96.373  18.229  11.632
    5    HG2  GLU   7           HG2      GLU   7  96.242  20.578  12.437
    6    HG3  GLU   7           HG3      GLU   7  96.113  21.099  10.770

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ASN   8           H        ASN   8  98.187  18.859   8.663
    2    HA   ASN   8           HA       ASN   8  99.035  16.182   8.530
    3    HB2  ASN   8           HB2      ASN   8  99.684  18.285   6.480
    4    HB3  ASN   8           HB3      ASN   8  99.360  16.574   6.208
    5   HD21  ASN   8          HD21      ASN   8  97.908  18.399   4.791
    6   HD22  ASN   8          HD22      ASN   8  96.303  18.399   5.324

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS   9           H        LYS   9 100.623  19.234   8.585
    2    HA   LYS   9           HA       LYS   9 103.289  18.432   8.123
    3    HB2  LYS   9           HB2      LYS   9 102.802  20.697   7.824
    4    HB3  LYS   9           HB3      LYS   9 101.904  20.768   9.306
    5    HG2  LYS   9           HG2      LYS   9 103.871  20.770  10.629
    6    HG3  LYS   9           HG3      LYS   9 104.867  20.422   9.218
    7    HD2  LYS   9           HD2      LYS   9 104.102  22.602   8.236
    8    HD3  LYS   9           HD3      LYS   9 103.282  22.938   9.756
    9    HE2  LYS   9           HE2      LYS   9 105.383  22.842  10.977
   10    HE3  LYS   9           HE3      LYS   9 106.247  22.366   9.516
   11    HZ1  LYS   9           HZ1      LYS   9 105.038  24.597   8.697
   12    HZ2  LYS   9           HZ2      LYS   9 105.281  24.975  10.333
   13    HZ3  LYS   9           HZ3      LYS   9 106.606  24.561   9.352

  No H/Q in entry =          13
  In of MODEL    1
    1    H    VAL  10           H        VAL  10 101.592  19.106  11.237
    2    HA   VAL  10           HA       VAL  10 103.896  18.301  12.746
    3    HB   VAL  10           HB       VAL  10 101.051  18.779  13.596

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LYS  11           H        LYS  11 100.755  16.773  12.100
    2    HA   LYS  11           HA       LYS  11 101.279  14.432  13.552
    3    HB2  LYS  11           HB2      LYS  11  99.472  15.029  11.251
    4    HB3  LYS  11           HB3      LYS  11  99.597  13.414  11.909
    5    HG2  LYS  11           HG2      LYS  11  97.782  14.311  13.095
    6    HG3  LYS  11           HG3      LYS  11  99.118  14.538  14.213
    7    HD2  LYS  11           HD2      LYS  11  99.377  16.872  13.229
    8    HD3  LYS  11           HD3      LYS  11  97.849  16.597  12.399
    9    HE2  LYS  11           HE2      LYS  11  98.389  16.824  15.349
   10    HE3  LYS  11           HE3      LYS  11  97.175  17.658  14.377
   11    HZ1  LYS  11           HZ1      LYS  11  96.094  15.478  14.026
   12    HZ2  LYS  11           HZ2      LYS  11  97.199  14.782  15.111
   13    HZ3  LYS  11           HZ3      LYS  11  96.103  15.961  15.653

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLY  12           H        GLY  12 101.920  15.431  10.273
    2    HA2  GLY  12           HA2      GLY  12 103.249  14.512   8.617
    3    HA3  GLY  12           HA3      GLY  12 102.975  12.958   9.365

  No H/Q in entry =           3
  In of MODEL    1
    1    H    GLU  13           H        GLU  13 104.638  15.884  10.612
    2    HA   GLU  13           HA       GLU  13 107.249  14.815  10.347
    3    HB2  GLU  13           HB2      GLU  13 106.116  16.934  12.183
    4    HB3  GLU  13           HB3      GLU  13 107.818  16.480  12.201
    5    HG2  GLU  13           HG2      GLU  13 108.032  17.047   9.844
    6    HG3  GLU  13           HG3      GLU  13 106.323  17.445   9.762

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ALA  14           H        ALA  14 104.742  14.472  12.701
    2    HA   ALA  14           HA       ALA  14 106.355  13.180  14.679
    3    HB1  ALA  14           HB1      ALA  14 103.376  13.512  14.351
    4    HB2  ALA  14           HB2      ALA  14 104.435  14.422  15.424
    5    HB3  ALA  14           HB3      ALA  14 104.123  12.716  15.735

  No H/Q in entry =           5
  In of MODEL    1
    1    H    PHE  15           H        PHE  15 104.254  12.337  12.068
    2    HA   PHE  15           HA       PHE  15 103.810   9.611  12.586
    3    HB2  PHE  15           HB2      PHE  15 102.650  11.082  10.925
    4    HB3  PHE  15           HB3      PHE  15 104.090  11.011   9.930
    5    HD1  PHE  15           HD1      PHE  15 104.476   9.204   8.504
    6    HD2  PHE  15           HD2      PHE  15 101.425   8.967  11.511
    7    HE1  PHE  15           HE1      PHE  15 103.532   7.194   7.400
    8    HE2  PHE  15           HE2      PHE  15 100.509   6.933  10.434
    9    HZ   PHE  15           HZ       PHE  15 101.557   6.065   8.372

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LEU  16           H        LEU  16 106.263  11.215  10.548
    2    HA   LEU  16           HA       LEU  16 107.624   8.761   9.965
    3    HB2  LEU  16           HB2      LEU  16 108.522  11.644   9.773
    4    HB3  LEU  16           HB3      LEU  16 109.548  10.294   9.330
    5    HG   LEU  16           HG       LEU  16 107.450   9.597   7.841
    6   HD11  LEU  16          HD11      LEU  16 107.029  12.539   8.385
    7   HD12  LEU  16          HD12      LEU  16 106.567  11.849   6.832
    8   HD13  LEU  16          HD13      LEU  16 105.839  11.242   8.321
    9   HD21  LEU  16          HD21      LEU  16 109.570  11.656   7.270
   10   HD22  LEU  16          HD22      LEU  16 109.536   9.950   6.851
   11   HD23  LEU  16          HD23      LEU  16 108.477  11.076   6.016

  No H/Q in entry =          11
  In of MODEL    1
    1    H    THR  17           H        THR  17 108.041  11.323  12.328
    2    HA   THR  17           HA       THR  17 110.439  10.350  13.436
    3    HB   THR  17           HB       THR  17 108.302  11.877  14.919
    4    HG1  THR  17           HG1      THR  17 109.214  12.725  12.823
    5   HG21  THR  17          HG21      THR  17 111.266  11.495  15.304
    6   HG22  THR  17          HG22      THR  17 110.302  12.702  16.158
    7   HG23  THR  17          HG23      THR  17 109.967  10.990  16.388

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLU  18           H        GLU  18 107.063   9.707  14.132
    2    HA   GLU  18           HA       GLU  18 107.620   7.982  16.308
    3    HB2  GLU  18           HB2      GLU  18 105.508   9.254  16.100
    4    HB3  GLU  18           HB3      GLU  18 105.092   8.251  14.716
    5    HG2  GLU  18           HG2      GLU  18 105.147   6.243  16.102
    6    HG3  GLU  18           HG3      GLU  18 105.667   7.194  17.492

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ASN  19           H        ASN  19 106.680   7.489  12.918
    2    HA   ASN  19           HA       ASN  19 106.430   4.704  13.042
    3    HB2  ASN  19           HB2      ASN  19 105.618   6.043  11.162
    4    HB3  ASN  19           HB3      ASN  19 107.277   6.362  10.680
    5   HD21  ASN  19          HD21      ASN  19 107.683   5.098   8.906
    6   HD22  ASN  19          HD22      ASN  19 107.293   3.456   8.763

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS  20           H        LYS  20 109.294   6.617  12.184
    2    HA   LYS  20           HA       LYS  20 110.906   4.424  11.495
    3    HB2  LYS  20           HB2      LYS  20 112.833   5.854  11.996
    4    HB3  LYS  20           HB3      LYS  20 111.617   6.753  11.099
    5    HG2  LYS  20           HG2      LYS  20 110.737   7.535  13.362
    6    HG3  LYS  20           HG3      LYS  20 112.195   6.840  14.063
    7    HD2  LYS  20           HD2      LYS  20 112.197   8.933  11.866
    8    HD3  LYS  20           HD3      LYS  20 112.419   9.287  13.582
    9    HE2  LYS  20           HE2      LYS  20 114.339   7.551  13.482
   10    HE3  LYS  20           HE3      LYS  20 114.232   7.773  11.740
   11    HZ1  LYS  20           HZ1      LYS  20 114.456  10.067  13.578
   12    HZ2  LYS  20           HZ2      LYS  20 115.829   9.258  12.991
   13    HZ3  LYS  20           HZ3      LYS  20 114.768  10.017  11.909

  No H/Q in entry =          13
  In of MODEL    1
    1    H    ASN  21           H        ASN  21 109.923   5.741  14.554
    2    HA   ASN  21           HA       ASN  21 111.736   4.137  16.130
    3    HB2  ASN  21           HB2      ASN  21 109.543   6.085  16.713
    4    HB3  ASN  21           HB3      ASN  21 110.132   5.038  17.999
    5   HD21  ASN  21          HD21      ASN  21 110.732   7.979  16.355
    6   HD22  ASN  21          HD22      ASN  21 112.302   8.250  16.937

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS  22           H        LYS  22 108.407   3.875  15.025
    2    HA   LYS  22           HA       LYS  22 107.521   1.995  16.819
    3    HB2  LYS  22           HB2      LYS  22 106.826   2.518  13.978
    4    HB3  LYS  22           HB3      LYS  22 106.023   1.236  14.867
    5    HG2  LYS  22           HG2      LYS  22 105.661   3.187  16.664
    6    HG3  LYS  22           HG3      LYS  22 105.879   4.209  15.258
    7    HD2  LYS  22           HD2      LYS  22 103.881   1.938  15.351
    8    HD3  LYS  22           HD3      LYS  22 103.484   3.609  15.753
    9    HE2  LYS  22           HE2      LYS  22 104.137   4.351  13.537
   10    HE3  LYS  22           HE3      LYS  22 104.699   2.732  13.128
   11    HZ1  LYS  22           HZ1      LYS  22 102.069   2.532  14.050
   12    HZ2  LYS  22           HZ2      LYS  22 102.112   3.784  12.900
   13    HZ3  LYS  22           HZ3      LYS  22 102.655   2.228  12.486

  No H/Q in entry =          13
  In of MODEL    1
    1    HA   PRO  23           HA       PRO  23 110.037  -1.610  16.060
    2    HB2  PRO  23           HB2      PRO  23 107.590  -3.250  16.543
    3    HB3  PRO  23           HB3      PRO  23 109.180  -3.336  17.326
    4    HG2  PRO  23           HG2      PRO  23 107.087  -2.277  18.578
    5    HG3  PRO  23           HG3      PRO  23 108.718  -1.598  18.758
    6    HD2  PRO  23           HD2      PRO  23 106.409  -0.557  17.143
    7    HD3  PRO  23           HD3      PRO  23 107.639   0.321  18.078

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  24           H        GLY  24 110.499  -3.094  14.493
    2    HA2  GLY  24           HA2      GLY  24 108.588  -3.923  12.500
    3    HA3  GLY  24           HA3      GLY  24 110.282  -4.390  12.585

  No H/Q in entry =           3
  In of MODEL    1
    1    H    VAL  25           H        VAL  25 109.568  -1.023  12.766
    2    HA   VAL  25           HA       VAL  25 109.730  -0.578   9.902
    3    HB   VAL  25           HB       VAL  25 109.790   1.418  12.171

  No H/Q in entry =           3
  In of MODEL    1
    1    H    VAL  26           H        VAL  26 111.431   0.127   8.773
    2    HA   VAL  26           HA       VAL  26 114.012   0.610  10.175
    3    HB   VAL  26           HB       VAL  26 113.494  -0.835   7.564

  No H/Q in entry =           3
  In of MODEL    1
    1    H    VAL  27           H        VAL  27 114.678   2.666   9.847
    2    HA   VAL  27           HA       VAL  27 113.467   4.180   7.661
    3    HB   VAL  27           HB       VAL  27 113.264   5.191   9.859

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LEU  28           H        LEU  28 114.502   5.367   6.191
    2    HA   LEU  28           HA       LEU  28 117.323   4.594   5.757
    3    HB2  LEU  28           HB2      LEU  28 115.193   5.348   3.751
    4    HB3  LEU  28           HB3      LEU  28 116.840   4.949   3.340
    5    HG   LEU  28           HG       LEU  28 114.932   3.061   4.729
    6   HD11  LEU  28          HD11      LEU  28 114.335   3.680   2.373
    7   HD12  LEU  28          HD12      LEU  28 115.920   3.122   1.860
    8   HD13  LEU  28          HD13      LEU  28 114.760   1.982   2.538
    9   HD21  LEU  28          HD21      LEU  28 117.759   2.822   3.659
   10   HD22  LEU  28          HD22      LEU  28 117.181   2.427   5.278
   11   HD23  LEU  28          HD23      LEU  28 116.732   1.418   3.912

  No H/Q in entry =          11
  In of MODEL    1
    1    HA   PRO  29           HA       PRO  29 118.613   8.778   5.750
    2    HB2  PRO  29           HB2      PRO  29 119.820   8.533   3.051
    3    HB3  PRO  29           HB3      PRO  29 120.595   8.956   4.588
    4    HG2  PRO  29           HG2      PRO  29 120.974   6.579   3.501
    5    HG3  PRO  29           HG3      PRO  29 120.760   6.740   5.258
    6    HD2  PRO  29           HD2      PRO  29 118.769   5.903   3.185
    7    HD3  PRO  29           HD3      PRO  29 119.104   5.169   4.763

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  30           H        SER  30 117.033   7.672   2.821
    2    HA   SER  30           HA       SER  30 116.426  10.224   1.737
    3    HB2  SER  30           HB2      SER  30 114.754   7.758   1.286
    4    HB3  SER  30           HB3      SER  30 115.114   9.071   0.164
    5    HG   SER  30           HG       SER  30 117.387   8.320   0.448

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  31           H        GLY  31 115.284   8.530   4.411
    2    HA2  GLY  31           HA2      GLY  31 113.083  10.429   4.783
    3    HA3  GLY  31           HA3      GLY  31 113.799   9.409   6.024

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LEU  32           H        LEU  32 113.479   7.518   3.348
    2    HA   LEU  32           HA       LEU  32 110.679   6.896   3.601
    3    HB2  LEU  32           HB2      LEU  32 111.905   6.704   1.424
    4    HB3  LEU  32           HB3      LEU  32 112.862   5.414   2.103
    5    HG   LEU  32           HG       LEU  32 110.841   4.820   0.579
    6   HD11  LEU  32          HD11      LEU  32 112.137   3.193   1.895
    7   HD12  LEU  32          HD12      LEU  32 111.029   3.418   3.235
    8   HD13  LEU  32          HD13      LEU  32 110.444   2.754   1.722
    9   HD21  LEU  32          HD21      LEU  32 109.265   6.275   1.812
   10   HD22  LEU  32          HD22      LEU  32 108.696   4.624   1.631
   11   HD23  LEU  32          HD23      LEU  32 109.322   5.169   3.174

  No H/Q in entry =          11
  In of MODEL    1
    1    H    GLN  33           H        GLN  33 109.821   5.281   4.832
    2    HA   GLN  33           HA       GLN  33 111.689   3.518   6.314
    3    HB2  GLN  33           HB2      GLN  33 109.109   4.792   7.226
    4    HB3  GLN  33           HB3      GLN  33 110.025   3.625   8.148
    5    HG2  GLN  33           HG2      GLN  33 111.109   5.421   9.015
    6    HG3  GLN  33           HG3      GLN  33 111.928   5.488   7.482
    7   HE21  GLN  33          HE21      GLN  33 111.666   7.800   8.932
    8   HE22  GLN  33          HE22      GLN  33 110.601   8.818   8.097

  No H/Q in entry =           8
  In of MODEL    1
    1    H    TYR  34           H        TYR  34 111.231   1.380   6.392
    2    HA   TYR  34           HA       TYR  34 108.625   0.489   5.390
    3    HB2  TYR  34           HB2      TYR  34 109.634  -1.275   4.075
    4    HB3  TYR  34           HB3      TYR  34 110.197   0.292   3.514
    5    HD1  TYR  34           HD1      TYR  34 111.072  -2.595   5.642
    6    HD2  TYR  34           HD2      TYR  34 112.513   0.860   3.568
    7    HE1  TYR  34           HE1      TYR  34 113.404  -3.340   6.050
    8    HE2  TYR  34           HE2      TYR  34 114.844   0.126   3.973
    9    HH   TYR  34           HH       TYR  34 115.576  -3.016   5.346

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LYS  35           H        LYS  35 107.808  -1.323   6.188
    2    HA   LYS  35           HA       LYS  35 109.279  -2.610   8.386
    3    HB2  LYS  35           HB2      LYS  35 107.576  -1.059   9.225
    4    HB3  LYS  35           HB3      LYS  35 106.337  -1.910   8.341
    5    HG2  LYS  35           HG2      LYS  35 108.017  -3.614  10.035
    6    HG3  LYS  35           HG3      LYS  35 107.094  -2.437  10.941
    7    HD2  LYS  35           HD2      LYS  35 105.043  -3.216   9.799
    8    HD3  LYS  35           HD3      LYS  35 105.998  -4.440   8.962
    9    HE2  LYS  35           HE2      LYS  35 104.957  -5.417  10.944
   10    HE3  LYS  35           HE3      LYS  35 106.698  -5.349  11.148
   11    HZ1  LYS  35           HZ1      LYS  35 105.135  -3.062  12.057
   12    HZ2  LYS  35           HZ2      LYS  35 105.060  -4.479  12.992
   13    HZ3  LYS  35           HZ3      LYS  35 106.556  -3.728  12.709

  No H/Q in entry =          13
  In of MODEL    1
    1    H    VAL  36           H        VAL  36 109.298  -4.730   8.330
    2    HA   VAL  36           HA       VAL  36 107.979  -6.027   6.076
    3    HB   VAL  36           HB       VAL  36 110.280  -6.535   6.315

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ILE  37           H        ILE  37 105.948  -6.487   6.374
    2    HA   ILE  37           HA       ILE  37 104.818  -7.322   8.869
    3    HB   ILE  37           HB       ILE  37 103.625  -7.837   6.144
    4   HD11  ILE  37          HD11      ILE  37 103.921  -5.396   8.832
    5   HD12  ILE  37          HD12      ILE  37 103.883  -3.960   7.845
    6   HD13  ILE  37          HD13      ILE  37 102.390  -4.801   8.248

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ASN  38           H        ASN  38 105.909  -8.865   5.929
    2    HA   ASN  38           HA       ASN  38 106.143 -11.444   7.311
    3    HB2  ASN  38           HB2      ASN  38 104.780 -11.038   4.658
    4    HB3  ASN  38           HB3      ASN  38 105.154 -12.585   5.360
    5   HD21  ASN  38          HD21      ASN  38 103.234  -9.623   5.980
    6   HD22  ASN  38          HD22      ASN  38 102.067 -10.402   6.933

  No H/Q in entry =           6
  In of MODEL    1
    1    H    SER  39           H        SER  39 108.099 -12.307   6.871
    2    HA   SER  39           HA       SER  39 109.764 -11.072   4.814
    3    HB2  SER  39           HB2      SER  39 111.577 -11.995   5.901
    4    HB3  SER  39           HB3      SER  39 110.456 -11.787   7.243
    5    HG   SER  39           HG       SER  39 109.769 -14.036   6.580

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  40           H        GLY  40 110.215 -11.966   2.887
    2    HA2  GLY  40           HA2      GLY  40 109.178 -13.452   1.203
    3    HA3  GLY  40           HA3      GLY  40 109.367 -14.753   2.371

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ASN  41           H        ASN  41 111.661 -12.179   1.759
    2    HA   ASN  41           HA       ASN  41 113.821 -12.169   0.992
    3    HB2  ASN  41           HB2      ASN  41 113.784 -15.072   1.807
    4    HB3  ASN  41           HB3      ASN  41 115.196 -14.026   1.658
    5   HD21  ASN  41          HD21      ASN  41 112.841 -12.021   2.833
    6   HD22  ASN  41          HD22      ASN  41 113.116 -12.206   4.498

  No H/Q in entry =           6
  In of MODEL    1
    1    H    GLY  42           H        GLY  42 111.645 -12.850  -0.880
    2    HA2  GLY  42           HA2      GLY  42 111.291 -13.987  -2.899
    3    HA3  GLY  42           HA3      GLY  42 112.858 -14.757  -2.726

  No H/Q in entry =           3
  In of MODEL    1
    1    H    VAL  43           H        VAL  43 111.960 -13.707  -5.059
    2    HA   VAL  43           HA       VAL  43 114.075 -11.969  -5.802
    3    HB   VAL  43           HB       VAL  43 113.071 -12.019  -8.018

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LYS  44           H        LYS  44 113.257 -10.076  -7.335
    2    HA   LYS  44           HA       LYS  44 111.057  -8.544  -6.735
    3    HB2  LYS  44           HB2      LYS  44 111.724  -6.884  -5.164
    4    HB3  LYS  44           HB3      LYS  44 112.053  -8.417  -4.424
    5    HG2  LYS  44           HG2      LYS  44 114.291  -7.116  -5.938
    6    HG3  LYS  44           HG3      LYS  44 113.834  -6.432  -4.396
    7    HD2  LYS  44           HD2      LYS  44 114.189  -9.404  -4.477
    8    HD3  LYS  44           HD3      LYS  44 115.646  -8.424  -4.598
    9    HE2  LYS  44           HE2      LYS  44 115.271  -7.428  -2.470
   10    HE3  LYS  44           HE3      LYS  44 113.596  -7.947  -2.420
   11    HZ1  LYS  44           HZ1      LYS  44 115.589 -10.039  -2.714
   12    HZ2  LYS  44           HZ2      LYS  44 115.568  -9.241  -1.214
   13    HZ3  LYS  44           HZ3      LYS  44 114.173 -10.007  -1.786

  No H/Q in entry =          13
  In of MODEL    1
    1    HA   PRO  45           HA       PRO  45 112.841  -6.452 -10.135
    2    HB2  PRO  45           HB2      PRO  45 111.129  -4.359 -10.384
    3    HB3  PRO  45           HB3      PRO  45 110.656  -6.035 -10.664
    4    HG2  PRO  45           HG2      PRO  45 110.009  -4.241  -8.414
    5    HG3  PRO  45           HG3      PRO  45 109.170  -5.671  -9.007
    6    HD2  PRO  45           HD2      PRO  45 110.931  -5.510  -6.754
    7    HD3  PRO  45           HD3      PRO  45 110.058  -6.934  -7.384

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  46           H        GLY  46 113.869  -4.722 -11.069
    2    HA2  GLY  46           HA2      GLY  46 115.634  -3.182 -10.960
    3    HA3  GLY  46           HA3      GLY  46 115.272  -2.917  -9.259

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LYS  47           H        LYS  47 115.610  -0.709 -10.303
    2    HA   LYS  47           HA       LYS  47 113.310   0.760 -10.131
    3    HB2  LYS  47           HB2      LYS  47 114.561   2.631 -10.771
    4    HB3  LYS  47           HB3      LYS  47 115.731   1.545 -10.045
    5    HG2  LYS  47           HG2      LYS  47 115.247   1.791 -13.043
    6    HG3  LYS  47           HG3      LYS  47 116.537   2.601 -12.178
    7    HD2  LYS  47           HD2      LYS  47 116.159  -0.402 -12.361
    8    HD3  LYS  47           HD3      LYS  47 117.343   0.540 -13.254
    9    HE2  LYS  47           HE2      LYS  47 117.299  -0.187 -10.355
   10    HE3  LYS  47           HE3      LYS  47 118.652  -0.167 -11.476
   11    HZ1  LYS  47           HZ1      LYS  47 117.305   2.314 -10.592
   12    HZ2  LYS  47           HZ2      LYS  47 118.595   1.632  -9.730
   13    HZ3  LYS  47           HZ3      LYS  47 118.825   2.147 -11.332

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER  48           H        SER  48 114.531  -0.960 -12.843
    2    HA   SER  48           HA       SER  48 112.521   0.370 -14.612
    3    HB2  SER  48           HB2      SER  48 115.186  -0.874 -15.044
    4    HB3  SER  48           HB3      SER  48 114.025  -0.972 -16.367
    5    HG   SER  48           HG       SER  48 114.054   1.165 -16.559

  No H/Q in entry =           5
  In of MODEL    1
    1    H    ASP  49           H        ASP  49 112.960  -2.493 -12.871
    2    HA   ASP  49           HA       ASP  49 111.624  -4.217 -14.843
    3    HB2  ASP  49           HB2      ASP  49 112.458  -4.659 -12.016
    4    HB3  ASP  49           HB3      ASP  49 111.606  -5.862 -12.942

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR  50           H        THR  50 109.599  -5.396 -14.166
    2    HA   THR  50           HA       THR  50 107.738  -3.444 -12.970
    3    HB   THR  50           HB       THR  50 106.957  -5.751 -14.698
    4    HG1  THR  50           HG1      THR  50 108.433  -3.951 -15.554
    5   HG21  THR  50          HG21      THR  50 105.588  -3.233 -13.806
    6   HG22  THR  50          HG22      THR  50 104.999  -4.271 -15.098
    7   HG23  THR  50          HG23      THR  50 105.140  -4.920 -13.468

  No H/Q in entry =           7
  In of MODEL    1
    1    H    VAL  51           H        VAL  51 106.177  -4.066 -11.543
    2    HA   VAL  51           HA       VAL  51 106.716  -6.604 -10.134
    3    HB   VAL  51           HB       VAL  51 107.638  -4.468  -9.103

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  52           H        THR  52 104.963  -7.376  -8.755
    2    HA   THR  52           HA       THR  52 102.274  -6.371  -9.572
    3    HB   THR  52           HB       THR  52 103.103  -9.255  -9.184
    4    HG1  THR  52           HG1      THR  52 103.703  -8.966 -11.173
    5   HG21  THR  52          HG21      THR  52 100.482  -7.876  -9.619
    6   HG22  THR  52          HG22      THR  52 100.737  -9.481 -10.292
    7   HG23  THR  52          HG23      THR  52 100.875  -9.239  -8.565

  No H/Q in entry =           7
  In of MODEL    1
    1    H    VAL  53           H        VAL  53 101.247  -5.629  -7.746
    2    HA   VAL  53           HA       VAL  53 101.633  -7.104  -5.216
    3    HB   VAL  53           HB       VAL  53 102.300  -5.120  -4.029

  No H/Q in entry =           3
  In of MODEL    1
    1    H    GLU  54           H        GLU  54 100.256  -6.359  -3.430
    2    HA   GLU  54           HA       GLU  54  97.758  -4.963  -4.322
    3    HB2  GLU  54           HB2      GLU  54  97.720  -6.823  -1.937
    4    HB3  GLU  54           HB3      GLU  54  96.407  -6.228  -2.926
    5    HG2  GLU  54           HG2      GLU  54  96.632  -7.827  -4.513
    6    HG3  GLU  54           HG3      GLU  54  98.355  -7.968  -4.330

  No H/Q in entry =           6
  In of MODEL    1
    1    H    TYR  55           H        TYR  55  96.935  -3.376  -2.672
    2    HA   TYR  55           HA       TYR  55  98.552  -3.027  -0.290
    3    HB2  TYR  55           HB2      TYR  55  99.353  -0.774  -1.018
    4    HB3  TYR  55           HB3      TYR  55 100.021  -2.108  -1.960
    5    HD1  TYR  55           HD1      TYR  55  97.387   0.526  -1.947
    6    HD2  TYR  55           HD2      TYR  55  99.529  -2.337  -4.301
    7    HE1  TYR  55           HE1      TYR  55  96.342   1.451  -3.991
    8    HE2  TYR  55           HE2      TYR  55  98.500  -1.407  -6.351
    9    HH   TYR  55           HH       TYR  55  97.449   1.069  -6.936

  No H/Q in entry =           9
  In of MODEL    1
    1    H    THR  56           H        THR  56  98.024  -1.162   1.016
    2    HA   THR  56           HA       THR  56  95.451   0.102   0.444
    3    HB   THR  56           HB       THR  56  96.173  -1.248   2.988
    4    HG1  THR  56           HG1      THR  56  93.799  -0.937   1.499
    5   HG21  THR  56          HG21      THR  56  94.295   1.108   2.707
    6   HG22  THR  56          HG22      THR  56  94.374   0.057   4.120
    7   HG23  THR  56          HG23      THR  56  95.755   1.060   3.690

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  57           H        GLY  57  95.479   2.268   0.524
    2    HA2  GLY  57           HA2      GLY  57  97.041   4.152   0.291
    3    HA3  GLY  57           HA3      GLY  57  97.940   3.509   1.659

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ARG  58           H        ARG  58  97.765   5.042   3.221
    2    HA   ARG  58           HA       ARG  58  95.213   6.365   3.612
    3    HB2  ARG  58           HB2      ARG  58  94.814   5.682   5.789
    4    HB3  ARG  58           HB3      ARG  58  95.281   4.199   4.968
    5    HG2  ARG  58           HG2      ARG  58  97.489   4.241   5.917
    6    HG3  ARG  58           HG3      ARG  58  97.281   5.871   6.547
    7    HD2  ARG  58           HD2      ARG  58  96.896   4.597   8.444
    8    HD3  ARG  58           HD3      ARG  58  95.272   4.834   7.842
    9    HE   ARG  58           HE       ARG  58  95.265   2.590   6.991
   10   HH11  ARG  58          HH11      ARG  58  98.093   3.410   8.853
   11   HH12  ARG  58          HH12      ARG  58  98.488   1.763   9.197
   12   HH21  ARG  58          HH21      ARG  58  95.811   0.450   7.446
   13   HH22  ARG  58          HH22      ARG  58  97.209   0.094   8.405

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LEU  59           H        LEU  59  95.281   7.969   5.333
    2    HA   LEU  59           HA       LEU  59  97.665   9.615   5.078
    3    HB2  LEU  59           HB2      LEU  59  94.865   9.946   5.921
    4    HB3  LEU  59           HB3      LEU  59  95.980  10.974   6.787
    5    HG   LEU  59           HG       LEU  59  96.874  11.644   4.456
    6   HD11  LEU  59          HD11      LEU  59  94.194  10.463   3.705
    7   HD12  LEU  59          HD12      LEU  59  95.173  11.463   2.663
    8   HD13  LEU  59          HD13      LEU  59  95.742   9.881   3.171
    9   HD21  LEU  59          HD21      LEU  59  95.381  13.026   6.002
   10   HD22  LEU  59          HD22      LEU  59  95.321  13.425   4.293
   11   HD23  LEU  59          HD23      LEU  59  94.031  12.494   5.013

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ILE  60           H        ILE  60  98.527  10.692   7.013
    2    HA   ILE  60           HA       ILE  60  99.491   8.859   8.928
    3    HB   ILE  60           HB       ILE  60 100.503  10.703  10.004
    4   HD11  ILE  60          HD11      ILE  60  99.079  12.960   7.404
    5   HD12  ILE  60          HD12      ILE  60  97.645  12.105   7.971
    6   HD13  ILE  60          HD13      ILE  60  97.944  13.741   8.509

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ASP  61           H        ASP  61  96.722  10.810   8.761
    2    HA   ASP  61           HA       ASP  61  96.027  10.595  11.582
    3    HB2  ASP  61           HB2      ASP  61  95.761  12.687  10.187
    4    HB3  ASP  61           HB3      ASP  61  94.423  11.870   9.372

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLY  62           H        GLY  62  95.787   8.547   9.075
    2    HA2  GLY  62           HA2      GLY  62  93.510   7.166  10.287
    3    HA3  GLY  62           HA3      GLY  62  94.664   6.494   9.167

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  63           H        THR  63  93.653   9.449   7.905
    2    HA   THR  63           HA       THR  63  91.112   8.662   6.839
    3    HB   THR  63           HB       THR  63  92.932  10.657   5.518
    4    HG1  THR  63           HG1      THR  63  92.768  10.985   7.831
    5   HG21  THR  63          HG21      THR  63  90.724   9.900   4.526
    6   HG22  THR  63          HG22      THR  63  89.959  10.693   5.894
    7   HG23  THR  63          HG23      THR  63  90.913  11.638   4.756

  No H/Q in entry =           7
  In of MODEL    1
    1    H    VAL  64           H        VAL  64  91.015   6.805   5.698
    2    HA   VAL  64           HA       VAL  64  93.110   6.016   3.894
    3    HB   VAL  64           HB       VAL  64  90.366   4.854   4.307

  No H/Q in entry =           3
  In of MODEL    1
    1    H    PHE  65           H        PHE  65  93.443   6.735   1.979
    2    HA   PHE  65           HA       PHE  65  91.160   7.942   0.537
    3    HB2  PHE  65           HB2      PHE  65  92.676   9.355  -0.582
    4    HB3  PHE  65           HB3      PHE  65  92.999   9.437   1.144
    5    HD1  PHE  65           HD1      PHE  65  94.877   7.928   2.050
    6    HD2  PHE  65           HD2      PHE  65  94.466   8.996  -2.075
    7    HE1  PHE  65           HE1      PHE  65  97.296   7.498   1.711
    8    HE2  PHE  65           HE2      PHE  65  96.883   8.577  -2.427
    9    HZ   PHE  65           HZ       PHE  65  98.311   7.828  -0.527

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ASP  66           H        ASP  66  93.197   5.276   0.501
    2    HA   ASP  66           HA       ASP  66  92.011   4.388  -1.960
    3    HB2  ASP  66           HB2      ASP  66  93.970   5.828  -2.688
    4    HB3  ASP  66           HB3      ASP  66  95.014   4.594  -1.992

  No H/Q in entry =           4
  In of MODEL    1
    1    H    SER  67           H        SER  67  92.344   2.175  -2.402
    2    HA   SER  67           HA       SER  67  94.021   0.633  -0.703
    3    HB2  SER  67           HB2      SER  67  92.283  -0.649   0.418
    4    HB3  SER  67           HB3      SER  67  92.180   1.062   0.834
    5    HG   SER  67           HG       SER  67  90.642  -0.327  -1.119

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  68           H        THR  68  94.158  -1.571  -1.171
    2    HA   THR  68           HA       THR  68  92.758  -2.573  -3.541
    3    HB   THR  68           HB       THR  68  95.775  -2.394  -3.435
    4    HG1  THR  68           HG1      THR  68  94.082  -0.556  -4.092
    5   HG21  THR  68          HG21      THR  68  93.870  -3.434  -5.540
    6   HG22  THR  68          HG22      THR  68  95.609  -3.265  -5.757
    7   HG23  THR  68          HG23      THR  68  94.980  -4.398  -4.575

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLU  69           H        GLU  69  95.200  -3.107  -1.022
    2    HA   GLU  69           HA       GLU  69  95.249  -5.917  -1.258
    3    HB2  GLU  69           HB2      GLU  69  96.243  -5.931   0.959
    4    HB3  GLU  69           HB3      GLU  69  96.982  -4.749  -0.105
    5    HG2  GLU  69           HG2      GLU  69  96.732  -3.541   1.846
    6    HG3  GLU  69           HG3      GLU  69  95.341  -3.086   0.886

  No H/Q in entry =           6
  In of MODEL    1
    1    H    LYS  70           H        LYS  70  92.995  -3.737   0.181
    2    HA   LYS  70           HA       LYS  70  91.702  -5.479   1.930
    3    HB2  LYS  70           HB2      LYS  70  90.496  -3.326   0.200
    4    HB3  LYS  70           HB3      LYS  70  89.720  -4.035   1.608
    5    HG2  LYS  70           HG2      LYS  70  92.392  -2.650   1.652
    6    HG3  LYS  70           HG3      LYS  70  90.888  -1.816   2.014
    7    HD2  LYS  70           HD2      LYS  70  92.180  -4.070   3.593
    8    HD3  LYS  70           HD3      LYS  70  91.932  -2.413   4.106
    9    HE2  LYS  70           HE2      LYS  70  89.400  -2.910   3.740
   10    HE3  LYS  70           HE3      LYS  70  89.893  -4.603   3.810
   11    HZ1  LYS  70           HZ1      LYS  70  91.057  -4.029   5.925
   12    HZ2  LYS  70           HZ2      LYS  70  90.263  -2.528   5.888
   13    HZ3  LYS  70           HZ3      LYS  70  89.362  -3.961   5.997

  No H/Q in entry =          13
  In of MODEL    1
    1    H    THR  71           H        THR  71  91.398  -4.886  -1.496
    2    HA   THR  71           HA       THR  71  89.398  -6.898  -1.974
    3    HB   THR  71           HB       THR  71  89.844  -6.478  -4.323
    4    HG1  THR  71           HG1      THR  71  91.687  -4.522  -3.913
    5   HG21  THR  71          HG21      THR  71  88.481  -4.846  -3.002
    6   HG22  THR  71          HG22      THR  71  89.938  -3.870  -2.805
    7   HG23  THR  71          HG23      THR  71  89.264  -4.134  -4.413

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  72           H        GLY  72  92.884  -6.639  -1.969
    2    HA2  GLY  72           HA2      GLY  72  93.186  -9.485  -1.784
    3    HA3  GLY  72           HA3      GLY  72  94.476  -8.291  -1.721

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LYS  73           H        LYS  73  93.180  -7.176  -4.303
    2    HA   LYS  73           HA       LYS  73  94.132  -9.244  -6.175
    3    HB2  LYS  73           HB2      LYS  73  92.255  -6.936  -6.376
    4    HB3  LYS  73           HB3      LYS  73  93.058  -7.487  -7.848
    5    HG2  LYS  73           HG2      LYS  73  91.888  -9.456  -7.927
    6    HG3  LYS  73           HG3      LYS  73  91.853  -9.646  -6.176
    7    HD2  LYS  73           HD2      LYS  73  90.123  -7.924  -6.009
    8    HD3  LYS  73           HD3      LYS  73  90.137  -7.707  -7.759
    9    HE2  LYS  73           HE2      LYS  73  89.452 -10.253  -6.278
   10    HE3  LYS  73           HE3      LYS  73  88.293  -9.189  -7.069
   11    HZ1  LYS  73           HZ1      LYS  73  89.745  -9.566  -9.130
   12    HZ2  LYS  73           HZ2      LYS  73  90.353 -10.914  -8.293
   13    HZ3  LYS  73           HZ3      LYS  73  88.696 -10.811  -8.654

  No H/Q in entry =          13
  In of MODEL    1
    1    HA   PRO  74           HA       PRO  74  97.897  -6.866  -6.335
    2    HB2  PRO  74           HB2      PRO  74  98.559  -8.605  -8.652
    3    HB3  PRO  74           HB3      PRO  74  99.472  -8.284  -7.166
    4    HG2  PRO  74           HG2      PRO  74  98.211 -10.594  -7.530
    5    HG3  PRO  74           HG3      PRO  74  98.272  -9.812  -5.949
    6    HD2  PRO  74           HD2      PRO  74  96.039  -9.881  -7.928
    7    HD3  PRO  74           HD3      PRO  74  96.032 -10.074  -6.167

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  75           H        ALA  75  98.898  -5.371  -7.586
    2    HA   ALA  75           HA       ALA  75  97.598  -4.546 -10.115
    3    HB1  ALA  75           HB1      ALA  75  97.265  -3.056  -7.982
    4    HB2  ALA  75           HB2      ALA  75  97.728  -2.296  -9.504
    5    HB3  ALA  75           HB3      ALA  75  98.944  -2.600  -8.268

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  76           H        THR  76  99.096  -3.829 -11.739
    2    HA   THR  76           HA       THR  76 101.880  -4.610 -11.178
    3    HB   THR  76           HB       THR  76 101.194  -5.857 -12.990
    4    HG1  THR  76           HG1      THR  76 103.000  -4.287 -13.403
    5   HG21  THR  76          HG21      THR  76  99.639  -3.399 -13.791
    6   HG22  THR  76          HG22      THR  76  99.888  -4.749 -14.899
    7   HG23  THR  76          HG23      THR  76  99.019  -4.996 -13.385

  No H/Q in entry =           7
  In of MODEL    1
    1    H    PHE  77           H        PHE  77 103.459  -3.197 -11.090
    2    HA   PHE  77           HA       PHE  77 103.139  -0.595 -12.424
    3    HB2  PHE  77           HB2      PHE  77 104.323  -0.927  -9.680
    4    HB3  PHE  77           HB3      PHE  77 104.125   0.558 -10.573
    5    HD1  PHE  77           HD1      PHE  77 102.900  -0.980  -7.877
    6    HD2  PHE  77           HD2      PHE  77 101.473   0.592 -11.603
    7    HE1  PHE  77           HE1      PHE  77 100.636  -0.650  -6.874
    8    HE2  PHE  77           HE2      PHE  77  99.236   0.919 -10.623
    9    HZ   PHE  77           HZ       PHE  77  98.797   0.274  -8.270

  No H/Q in entry =           9
  In of MODEL    1
    1    H    GLN  78           H        GLN  78 104.968   0.367 -13.013
    2    HA   GLN  78           HA       GLN  78 107.338  -1.341 -13.141
    3    HB2  GLN  78           HB2      GLN  78 106.443   1.066 -14.697
    4    HB3  GLN  78           HB3      GLN  78 108.132   0.590 -14.685
    5    HG2  GLN  78           HG2      GLN  78 107.393  -1.704 -15.391
    6    HG3  GLN  78           HG3      GLN  78 105.781  -1.045 -15.604
    7   HE21  GLN  78          HE21      GLN  78 107.879   1.402 -16.281
    8   HE22  GLN  78          HE22      GLN  78 108.010   1.224 -17.963

  No H/Q in entry =           8
  In of MODEL    1
    1    H    VAL  79           H        VAL  79 108.864  -1.021 -11.731
    2    HA   VAL  79           HA       VAL  79 108.615   0.635  -9.576
    3    HB   VAL  79           HB       VAL  79 111.252  -0.229 -10.772

  No H/Q in entry =           3
  In of MODEL    1
    1    H    SER  80           H        SER  80 109.725   1.493 -12.795
    2    HA   SER  80           HA       SER  80 111.003   3.923 -11.948
    3    HB2  SER  80           HB2      SER  80 111.838   2.997 -13.940
    4    HB3  SER  80           HB3      SER  80 110.224   2.844 -14.628
    5    HG   SER  80           HG       SER  80 111.790   4.781 -15.079

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLN  81           H        GLN  81 107.785   2.997 -12.790
    2    HA   GLN  81           HA       GLN  81 106.927   5.796 -13.176
    3    HB2  GLN  81           HB2      GLN  81 105.287   3.265 -13.296
    4    HB3  GLN  81           HB3      GLN  81 104.812   4.870 -13.823
    5    HG2  GLN  81           HG2      GLN  81 107.062   3.247 -15.013
    6    HG3  GLN  81           HG3      GLN  81 105.444   3.490 -15.727
    7   HE21  GLN  81          HE21      GLN  81 108.588   4.642 -15.872
    8   HE22  GLN  81          HE22      GLN  81 108.269   6.200 -16.457

  No H/Q in entry =           8
  In of MODEL    1
    1    H    VAL  82           H        VAL  82 107.193   3.540 -10.623
    2    HA   VAL  82           HA       VAL  82 104.790   4.276  -9.205
    3    HB   VAL  82           HB       VAL  82 106.214   2.101  -9.246

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ILE  83           H        ILE  83 104.867   5.052  -6.909
    2    HA   ILE  83           HA       ILE  83 105.939   7.631  -6.806
    3    HB   ILE  83           HB       ILE  83 105.581   6.601  -4.097
    4   HD11  ILE  83          HD11      ILE  83 103.632   5.837  -3.037
    5   HD12  ILE  83          HD12      ILE  83 102.457   6.793  -3.946
    6   HD13  ILE  83          HD13      ILE  83 102.345   5.032  -3.923

  No H/Q in entry =           6
  In of MODEL    1
    1    HA   PRO  84           HA       PRO  84 110.279   7.173  -5.992
    2    HB2  PRO  84           HB2      PRO  84 109.868   8.986  -3.650
    3    HB3  PRO  84           HB3      PRO  84 111.077   9.088  -4.942
    4    HG2  PRO  84           HG2      PRO  84 108.964  10.694  -4.913
    5    HG3  PRO  84           HG3      PRO  84 109.591  10.031  -6.420
    6    HD2  PRO  84           HD2      PRO  84 107.149   9.285  -4.941
    7    HD3  PRO  84           HD3      PRO  84 107.449   9.225  -6.677

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  85           H        GLY  85 108.330   7.326  -3.002
    2    HA2  GLY  85           HA2      GLY  85 108.371   5.968  -1.140
    3    HA3  GLY  85           HA3      GLY  85 110.112   5.933  -1.345

  No H/Q in entry =           3
  In of MODEL    1
    1    H    TRP  86           H        TRP  86 107.445   4.813  -3.312
    2    HA   TRP  86           HA       TRP  86 107.678   2.032  -2.791
    3    HB2  TRP  86           HB2      TRP  86 106.365   3.775  -4.826
    4    HB3  TRP  86           HB3      TRP  86 106.499   2.060  -5.193
    5    HD1  TRP  86           HD1      TRP  86 105.339   4.143  -2.111
    6    HE1  TRP  86           HE1      TRP  86 103.167   3.090  -1.249
    7    HE3  TRP  86           HE3      TRP  86 104.981   0.227  -5.300
    8    HZ2  TRP  86           HZ2      TRP  86 101.502   0.839  -1.869
    9    HZ3  TRP  86           HZ3      TRP  86 103.101  -1.327  -5.154
   10    HH2  TRP  86           HH2      TRP  86 101.353  -1.045  -3.445

  No H/Q in entry =          10
  In of MODEL    1
    1    H    THR  87           H        THR  87 109.146   4.182  -5.183
    2    HA   THR  87           HA       THR  87 110.125   2.395  -7.003
    3    HB   THR  87           HB       THR  87 111.676   4.760  -5.955
    4    HG1  THR  87           HG1      THR  87 109.256   4.819  -6.733
    5   HG21  THR  87          HG21      THR  87 112.702   3.143  -7.658
    6   HG22  THR  87          HG22      THR  87 111.472   3.723  -8.761
    7   HG23  THR  87          HG23      THR  87 112.638   4.838  -8.116

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLU  88           H        GLU  88 111.835   3.546  -4.110
    2    HA   GLU  88           HA       GLU  88 113.981   1.690  -4.420
    3    HB2  GLU  88           HB2      GLU  88 114.203   3.886  -3.301
    4    HB3  GLU  88           HB3      GLU  88 113.203   3.286  -1.975
    5    HG2  GLU  88           HG2      GLU  88 114.849   1.475  -1.568
    6    HG3  GLU  88           HG3      GLU  88 115.847   2.104  -2.878

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ALA  89           H        ALA  89 111.114   1.758  -2.330
    2    HA   ALA  89           HA       ALA  89 111.735  -0.365  -0.648
    3    HB1  ALA  89           HB1      ALA  89 109.069   0.589  -1.650
    4    HB2  ALA  89           HB2      ALA  89 109.873   1.021  -0.143
    5    HB3  ALA  89           HB3      ALA  89 109.269  -0.615  -0.384

  No H/Q in entry =           5
  In of MODEL    1
    1    H    LEU  90           H        LEU  90 109.976  -0.565  -3.780
    2    HA   LEU  90           HA       LEU  90 109.373  -3.306  -3.639
    3    HB2  LEU  90           HB2      LEU  90 110.070  -1.665  -6.092
    4    HB3  LEU  90           HB3      LEU  90 109.254  -3.214  -6.101
    5    HG   LEU  90           HG       LEU  90 108.159  -0.845  -4.590
    6   HD11  LEU  90          HD11      LEU  90 107.689  -1.659  -7.453
    7   HD12  LEU  90          HD12      LEU  90 106.717  -0.478  -6.604
    8   HD13  LEU  90          HD13      LEU  90 108.423  -0.174  -6.903
    9   HD21  LEU  90          HD21      LEU  90 107.035  -3.434  -5.595
   10   HD22  LEU  90          HD22      LEU  90 107.119  -2.886  -3.941
   11   HD23  LEU  90          HD23      LEU  90 106.019  -2.122  -5.081

  No H/Q in entry =          11
  In of MODEL    1
    1    H    GLN  91           H        GLN  91 112.193  -1.575  -4.828
    2    HA   GLN  91           HA       GLN  91 113.619  -3.743  -5.874
    3    HB2  GLN  91           HB2      GLN  91 114.638  -1.175  -4.670
    4    HB3  GLN  91           HB3      GLN  91 115.564  -2.250  -5.710
    5    HG2  GLN  91           HG2      GLN  91 114.045  -1.869  -7.556
    6    HG3  GLN  91           HG3      GLN  91 112.952  -0.956  -6.523
    7   HE21  GLN  91          HE21      GLN  91 113.215   0.996  -7.841
    8   HE22  GLN  91          HE22      GLN  91 114.652   1.892  -7.818

  No H/Q in entry =           8
  In of MODEL    1
    1    H    LEU  92           H        LEU  92 113.085  -2.661  -2.628
    2    HA   LEU  92           HA       LEU  92 115.233  -4.414  -1.587
    3    HB2  LEU  92           HB2      LEU  92 113.548  -2.340  -0.173
    4    HB3  LEU  92           HB3      LEU  92 114.869  -3.259   0.544
    5    HG   LEU  92           HG       LEU  92 115.169  -1.371  -1.800
    6   HD11  LEU  92          HD11      LEU  92 115.838  -1.030   1.107
    7   HD12  LEU  92          HD12      LEU  92 116.265   0.095  -0.185
    8   HD13  LEU  92          HD13      LEU  92 114.575  -0.186   0.214
    9   HD21  LEU  92          HD21      LEU  92 117.077  -3.061  -0.220
   10   HD22  LEU  92          HD22      LEU  92 116.938  -2.915  -1.970
   11   HD23  LEU  92          HD23      LEU  92 117.621  -1.596  -1.030

  No H/Q in entry =          11
  In of MODEL    1
    1    H    MET  93           H        MET  93 111.871  -4.340  -2.089
    2    HA   MET  93           HA       MET  93 111.226  -6.021   0.186
    3    HB2  MET  93           HB2      MET  93 109.625  -4.357  -0.572
    4    HB3  MET  93           HB3      MET  93 109.534  -5.147  -2.145
    5    HG2  MET  93           HG2      MET  93 108.475  -7.056  -1.260
    6    HG3  MET  93           HG3      MET  93 108.986  -6.696   0.387
    7    HE1  MET  93           HE1      MET  93 107.305  -5.596  -2.641
    8    HE2  MET  93           HE2      MET  93 105.634  -5.765  -2.119
    9    HE3  MET  93           HE3      MET  93 106.373  -4.171  -2.186

  No H/Q in entry =           9
  In of MODEL    1
    1    HA   PRO  94           HA       PRO  94 112.253  -9.651  -2.464
    2    HB2  PRO  94           HB2      PRO  94 111.727 -11.198  -0.018
    3    HB3  PRO  94           HB3      PRO  94 113.194 -11.135  -1.003
    4    HG2  PRO  94           HG2      PRO  94 113.086 -10.035   1.429
    5    HG3  PRO  94           HG3      PRO  94 114.008  -9.287   0.104
    6    HD2  PRO  94           HD2      PRO  94 111.286  -8.572   1.138
    7    HD3  PRO  94           HD3      PRO  94 112.641  -7.532   0.718

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  95           H        ALA  95 111.041 -11.199  -3.466
    2    HA   ALA  95           HA       ALA  95 108.245 -10.861  -3.407
    3    HB1  ALA  95           HB1      ALA  95 109.918 -12.960  -4.735
    4    HB2  ALA  95           HB2      ALA  95 108.174 -12.786  -4.964
    5    HB3  ALA  95           HB3      ALA  95 109.259 -11.492  -5.457

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  96           H        GLY  96 106.671 -11.779  -2.410
    2    HA2  GLY  96           HA2      GLY  96 107.135 -14.273  -0.907
    3    HA3  GLY  96           HA3      GLY  96 105.573 -13.586  -1.356

  No H/Q in entry =           3
  In of MODEL    1
    1    H    SER  97           H        SER  97 107.965 -11.359  -0.331
    2    HA   SER  97           HA       SER  97 107.161 -11.405   2.469
    3    HB2  SER  97           HB2      SER  97 109.011 -10.047   2.856
    4    HB3  SER  97           HB3      SER  97 109.544 -10.921   1.420
    5    HG   SER  97           HG       SER  97 108.610  -8.287   1.699

  No H/Q in entry =           5
  In of MODEL    1
    1    H    THR  98           H        THR  98 105.837  -9.990   3.421
    2    HA   THR  98           HA       THR  98 104.556  -7.939   1.734
    3    HB   THR  98           HB       THR  98 103.506  -9.207   4.267
    4    HG1  THR  98           HG1      THR  98 103.662 -10.392   2.090
    5   HG21  THR  98          HG21      THR  98 102.402  -7.213   2.282
    6   HG22  THR  98          HG22      THR  98 101.401  -8.096   3.434
    7   HG23  THR  98          HG23      THR  98 102.655  -7.000   4.010

  No H/Q in entry =           7
  In of MODEL    1
    1    H    TRP  99           H        TRP  99 105.341  -5.969   2.069
    2    HA   TRP  99           HA       TRP  99 106.235  -5.268   4.805
    3    HB2  TRP  99           HB2      TRP  99 107.117  -4.185   2.127
    4    HB3  TRP  99           HB3      TRP  99 107.572  -3.473   3.659
    5    HD1  TRP  99           HD1      TRP  99 107.604  -7.177   3.981
    6    HE1  TRP  99           HE1      TRP  99 109.988  -8.063   3.858
    7    HE3  TRP  99           HE3      TRP  99 109.932  -2.972   2.280
    8    HZ2  TRP  99           HZ2      TRP  99 112.598  -7.094   3.133
    9    HZ3  TRP  99           HZ3      TRP  99 112.387  -2.985   1.888
   10    HH2  TRP  99           HH2      TRP  99 113.716  -5.035   2.319

  No H/Q in entry =          10
  In of MODEL    1
    1    H    GLU 100           H        GLU 100 106.132  -2.968   5.268
    2    HA   GLU 100           HA       GLU 100 103.871  -1.533   4.048
    3    HB2  GLU 100           HB2      GLU 100 104.456  -1.894   6.986
    4    HB3  GLU 100           HB3      GLU 100 103.557  -0.502   6.398
    5    HG2  GLU 100           HG2      GLU 100 101.886  -1.938   5.414
    6    HG3  GLU 100           HG3      GLU 100 102.796  -3.369   5.844

  No H/Q in entry =           6
  In of MODEL    1
    1    H    ILE 101           H        ILE 101 104.529   0.472   3.359
    2    HA   ILE 101           HA       ILE 101 106.992   1.510   4.531
    3    HB   ILE 101           HB       ILE 101 107.954   2.040   2.520
    4   HD11  ILE 101          HD11      ILE 101 108.047   2.700   0.291
    5   HD12  ILE 101          HD12      ILE 101 107.253   1.239  -0.279
    6   HD13  ILE 101          HD13      ILE 101 106.615   2.810  -0.712

  No H/Q in entry =           6
  In of MODEL    1
    1    H    TYR 102           H        TYR 102 107.120   3.502   5.074
    2    HA   TYR 102           HA       TYR 102 104.665   5.134   4.905
    3    HB2  TYR 102           HB2      TYR 102 107.009   5.308   6.808
    4    HB3  TYR 102           HB3      TYR 102 105.515   6.195   6.946
    5    HD1  TYR 102           HD1      TYR 102 106.381   2.532   6.399
    6    HD2  TYR 102           HD2      TYR 102 104.198   5.389   8.718
    7    HE1  TYR 102           HE1      TYR 102 105.395   0.711   7.671
    8    HE2  TYR 102           HE2      TYR 102 103.211   3.548  10.034
    9    HH   TYR 102           HH       TYR 102 103.445   0.275   9.072

  No H/Q in entry =           9
  In of MODEL    1
    1    H    VAL 103           H        VAL 103 104.927   6.311   3.114
    2    HA   VAL 103           HA       VAL 103 107.493   7.205   2.270
    3    HB   VAL 103           HB       VAL 103 104.902   7.797   0.947

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO 104           HA       PRO 104 107.112  11.289   4.187
    2    HB2  PRO 104           HB2      PRO 104 109.332  11.784   2.239
    3    HB3  PRO 104           HB3      PRO 104 109.265  12.152   3.974
    4    HG2  PRO 104           HG2      PRO 104 110.711  10.101   2.991
    5    HG3  PRO 104           HG3      PRO 104 109.958  10.044   4.577
    6    HD2  PRO 104           HD2      PRO 104 109.206   8.628   2.109
    7    HD3  PRO 104           HD3      PRO 104 108.860   8.214   3.805

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER 105           H        SER 105 106.010  13.108   3.409
    2    HA   SER 105           HA       SER 105 104.511  12.968   1.131
    3    HB2  SER 105           HB2      SER 105 104.175  15.388   1.321
    4    HB3  SER 105           HB3      SER 105 104.122  14.618   2.904
    5    HG   SER 105           HG       SER 105 106.492  15.146   2.901

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY 106           H        GLY 106 107.804  14.147   1.444
    2    HA2  GLY 106           HA2      GLY 106 109.361  14.794  -0.130
    3    HA3  GLY 106           HA3      GLY 106 108.017  15.334  -1.132

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LEU 107           H        LEU 107 108.393  12.055   0.059
    2    HA   LEU 107           HA       LEU 107 109.325  11.129  -2.586
    3    HB2  LEU 107           HB2      LEU 107 109.088   9.649   0.052
    4    HB3  LEU 107           HB3      LEU 107 109.738   8.968  -1.416
    5    HG   LEU 107           HG       LEU 107 110.886  11.293   0.148
    6   HD11  LEU 107          HD11      LEU 107 111.304   9.000   1.066
    7   HD12  LEU 107          HD12      LEU 107 112.052   8.578  -0.467
    8   HD13  LEU 107          HD13      LEU 107 112.774   9.818   0.548
    9   HD21  LEU 107          HD21      LEU 107 111.500  10.239  -2.586
   10   HD22  LEU 107          HD22      LEU 107 111.449  11.906  -2.030
   11   HD23  LEU 107          HD23      LEU 107 112.815  10.877  -1.608

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ALA 108           H        ALA 108 106.411  11.735  -1.188
    2    HA   ALA 108           HA       ALA 108 105.102   9.349  -2.317
    3    HB1  ALA 108           HB1      ALA 108 103.910  11.387  -0.445
    4    HB2  ALA 108           HB2      ALA 108 103.242   9.831  -0.897
    5    HB3  ALA 108           HB3      ALA 108 104.679   9.919   0.088

  No H/Q in entry =           5
  In of MODEL    1
    1    H    TYR 109           H        TYR 109 102.912  11.816  -1.731
    2    HA   TYR 109           HA       TYR 109 102.598  12.276  -4.599
    3    HB2  TYR 109           HB2      TYR 109 100.732  12.415  -2.234
    4    HB3  TYR 109           HB3      TYR 109 100.283  13.157  -3.777
    5    HD1  TYR 109           HD1      TYR 109 100.747  10.049  -1.983
    6    HD2  TYR 109           HD2      TYR 109 100.339  11.748  -5.875
    7    HE1  TYR 109           HE1      TYR 109 100.446   7.824  -2.914
    8    HE2  TYR 109           HE2      TYR 109 100.080   9.502  -6.838
    9    HH   TYR 109           HH       TYR 109 100.869   6.729  -5.140

  No H/Q in entry =           9
  In of MODEL    1
    1    H    GLY 110           H        GLY 110 104.218  13.822  -2.256
    2    HA2  GLY 110           HA2      GLY 110 103.713  16.451  -3.521
    3    HA3  GLY 110           HA3      GLY 110 105.247  15.928  -2.859

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO 111           HA       PRO 111 104.239  17.843   0.996
    2    HB2  PRO 111           HB2      PRO 111 105.167  20.347   0.656
    3    HB3  PRO 111           HB3      PRO 111 106.253  18.947   0.700
    4    HG2  PRO 111           HG2      PRO 111 105.207  20.423  -1.675
    5    HG3  PRO 111           HG3      PRO 111 106.855  19.863  -1.338
    6    HD2  PRO 111           HD2      PRO 111 105.133  18.487  -2.947
    7    HD3  PRO 111           HD3      PRO 111 106.385  17.688  -1.983

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ARG 112           H        ARG 112 102.718  18.789  -1.874
    2    HA   ARG 112           HA       ARG 112 100.893  20.686  -0.518
    3    HB2  ARG 112           HB2      ARG 112 101.188  20.014  -3.453
    4    HB3  ARG 112           HB3      ARG 112 100.149  21.265  -2.773
    5    HG2  ARG 112           HG2      ARG 112 102.158  22.389  -1.838
    6    HG3  ARG 112           HG3      ARG 112 103.171  21.165  -2.610
    7    HD2  ARG 112           HD2      ARG 112 103.150  22.971  -4.142
    8    HD3  ARG 112           HD3      ARG 112 101.998  21.825  -4.803
    9    HE   ARG 112           HE       ARG 112 100.566  23.526  -3.121
   10   HH11  ARG 112          HH11      ARG 112 102.459  23.700  -6.018
   11   HH12  ARG 112          HH12      ARG 112 101.586  25.050  -6.664
   12   HH21  ARG 112          HH21      ARG 112  99.419  25.279  -3.969
   13   HH22  ARG 112          HH22      ARG 112  99.864  25.943  -5.505

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER 113           H        SER 113  98.560  20.459  -1.156
    2    HA   SER 113           HA       SER 113  97.697  17.774  -0.682
    3    HB2  SER 113           HB2      SER 113  95.911  19.986  -1.690
    4    HB3  SER 113           HB3      SER 113  95.532  18.660  -0.600
    5    HG   SER 113           HG       SER 113  96.682  21.112  -0.108

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL 114           H        VAL 114  98.664  16.654  -2.472
    2    HA   VAL 114           HA       VAL 114  97.592  17.322  -5.148
    3    HB   VAL 114           HB       VAL 114  99.776  15.335  -4.486

  No H/Q in entry =           3
  In of MODEL    1
    1    H    GLY 115           H        GLY 115  95.526  16.450  -3.963
    2    HA2  GLY 115           HA2      GLY 115  95.262  13.607  -3.725
    3    HA3  GLY 115           HA3      GLY 115  94.642  14.193  -5.264

  No H/Q in entry =           3
  In of MODEL    1
    1    H    GLY 116           H        GLY 116  92.769  13.060  -3.929
    2    HA2  GLY 116           HA2      GLY 116  90.663  13.309  -3.018
    3    HA3  GLY 116           HA3      GLY 116  90.818  15.011  -3.398

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO 117           HA       PRO 117  90.605  14.636   1.254
    2    HB2  PRO 117           HB2      PRO 117  91.394  12.339   2.495
    3    HB3  PRO 117           HB3      PRO 117  89.769  12.562   1.832
    4    HG2  PRO 117           HG2      PRO 117  92.141  11.303   0.553
    5    HG3  PRO 117           HG3      PRO 117  90.500  10.662   0.686
    6    HD2  PRO 117           HD2      PRO 117  91.280  11.760  -1.568
    7    HD3  PRO 117           HD3      PRO 117  89.677  12.173  -0.915

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ILE 118           H        ILE 118  93.376  13.522  -0.415
    2    HA   ILE 118           HA       ILE 118  95.309  13.802   1.651
    3    HB   ILE 118           HB       ILE 118  95.707  14.235  -1.321
    4   HD11  ILE 118          HD11      ILE 118  94.134  12.717  -1.859
    5   HD12  ILE 118          HD12      ILE 118  95.007  11.269  -2.335
    6   HD13  ILE 118          HD13      ILE 118  93.927  11.236  -0.952

  No H/Q in entry =           6
  In of MODEL    1
    1    H    GLY 119           H        GLY 119  95.532  15.623   2.725
    2    HA2  GLY 119           HA2      GLY 119  95.144  17.836   3.230
    3    HA3  GLY 119           HA3      GLY 119  94.812  18.182   1.556

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO 120           HA       PRO 120  98.730  20.107   1.315
    2    HB2  PRO 120           HB2      PRO 120  98.907  21.938   3.370
    3    HB3  PRO 120           HB3      PRO 120  97.968  22.194   1.900
    4    HG2  PRO 120           HG2      PRO 120  97.030  21.248   4.554
    5    HG3  PRO 120           HG3      PRO 120  96.286  22.405   3.474
    6    HD2  PRO 120           HD2      PRO 120  95.420  19.876   3.692
    7    HD3  PRO 120           HD3      PRO 120  95.397  20.719   2.131

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ASN 121           H        ASN 121 100.843  19.590   1.817
    2    HA   ASN 121           HA       ASN 121 102.609  18.581   2.919
    3    HB2  ASN 121           HB2      ASN 121 102.022  20.680   4.346
    4    HB3  ASN 121           HB3      ASN 121 101.366  19.521   5.494
    5   HD21  ASN 121          HD21      ASN 121 103.170  17.427   5.439
    6   HD22  ASN 121          HD22      ASN 121 104.717  17.969   5.884

  No H/Q in entry =           6
  In of MODEL    1
    1    H    GLU 122           H        GLU 122 100.800  16.713   2.263
    2    HA   GLU 122           HA       GLU 122 100.167  15.135   4.662
    3    HB2  GLU 122           HB2      GLU 122  99.057  15.390   1.970
    4    HB3  GLU 122           HB3      GLU 122  99.317  13.719   2.423
    5    HG2  GLU 122           HG2      GLU 122  97.101  14.294   3.056
    6    HG3  GLU 122           HG3      GLU 122  98.050  14.142   4.536

  No H/Q in entry =           6
  In of MODEL    1
    1    H    THR 123           H        THR 123 101.262  13.396   5.252
    2    HA   THR 123           HA       THR 123 103.294  12.233   3.444
    3    HB   THR 123           HB       THR 123 102.805  11.866   6.407
    4    HG1  THR 123           HG1      THR 123 103.977  13.767   5.257
    5   HG21  THR 123          HG21      THR 123 103.596   9.792   5.284
    6   HG22  THR 123          HG22      THR 123 104.946  10.691   4.633
    7   HG23  THR 123          HG23      THR 123 104.804  10.450   6.370

  No H/Q in entry =           7
  In of MODEL    1
    1    H    LEU 124           H        LEU 124 102.795  10.327   2.459
    2    HA   LEU 124           HA       LEU 124 100.312   8.942   3.338
    3    HB2  LEU 124           HB2      LEU 124 101.671   8.968   0.630
    4    HB3  LEU 124           HB3      LEU 124 100.227   8.052   1.019
    5    HG   LEU 124           HG       LEU 124  99.327   9.943  -0.027
    6   HD11  LEU 124          HD11      LEU 124  98.394   9.710   2.296
    7   HD12  LEU 124          HD12      LEU 124  99.489  11.005   2.761
    8   HD13  LEU 124          HD13      LEU 124  98.248  11.311   1.571
    9   HD21  LEU 124          HD21      LEU 124 101.487  11.122  -0.238
   10   HD22  LEU 124          HD22      LEU 124 100.159  12.200   0.173
   11   HD23  LEU 124          HD23      LEU 124 101.295  11.694   1.403

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ILE 125           H        ILE 125 100.255   6.773   3.583
    2    HA   ILE 125           HA       ILE 125 102.799   5.267   3.500
    3    HB   ILE 125           HB       ILE 125 102.316   5.568   5.823
    4   HD11  ILE 125          HD11      ILE 125 102.042   4.048   7.560
    5   HD12  ILE 125          HD12      ILE 125 100.688   2.972   7.304
    6   HD13  ILE 125          HD13      ILE 125 102.329   2.357   7.226

  No H/Q in entry =           6
  In of MODEL    1
    1    H    PHE 126           H        PHE 126 102.621   3.118   2.841
    2    HA   PHE 126           HA       PHE 126  99.959   2.183   2.088
    3    HB2  PHE 126           HB2      PHE 126 102.192   1.802   0.135
    4    HB3  PHE 126           HB3      PHE 126 100.441   1.744  -0.129
    5    HD1  PHE 126           HD1      PHE 126  99.318   3.647  -0.945
    6    HD2  PHE 126           HD2      PHE 126 103.177   4.056   0.887
    7    HE1  PHE 126           HE1      PHE 126  99.372   6.051  -1.575
    8    HE2  PHE 126           HE2      PHE 126 103.205   6.447   0.263
    9    HZ   PHE 126           HZ       PHE 126 101.326   7.430  -0.956

  No H/Q in entry =           9
  In of MODEL    1
    1    H    LYS 127           H        LYS 127  99.732  -0.063   1.909
    2    HA   LYS 127           HA       LYS 127 101.842  -1.587   3.232
    3    HB2  LYS 127           HB2      LYS 127  99.304  -2.978   2.657
    4    HB3  LYS 127           HB3      LYS 127 100.182  -2.865   4.162
    5    HG2  LYS 127           HG2      LYS 127  98.403  -0.716   3.032
    6    HG3  LYS 127           HG3      LYS 127  97.956  -1.837   4.305
    7    HD2  LYS 127           HD2      LYS 127  99.678  -0.957   5.782
    8    HD3  LYS 127           HD3      LYS 127 100.260   0.123   4.531
    9    HE2  LYS 127           HE2      LYS 127  98.114   1.294   4.501
   10    HE3  LYS 127           HE3      LYS 127  97.469   0.177   5.703
   11    HZ1  LYS 127           HZ1      LYS 127  99.928   1.713   6.238
   12    HZ2  LYS 127           HZ2      LYS 127  98.401   2.414   6.483
   13    HZ3  LYS 127           HZ3      LYS 127  98.845   1.017   7.342

  No H/Q in entry =          13
  In of MODEL    1
    1    H    ILE 128           H        ILE 128 103.106  -2.859   1.960
    2    HA   ILE 128           HA       ILE 128 101.994  -3.414  -0.752
    3    HB   ILE 128           HB       ILE 128 104.949  -3.161  -0.259
    4   HD11  ILE 128          HD11      ILE 128 105.177  -0.693  -2.006
    5   HD12  ILE 128          HD12      ILE 128 104.841   0.587  -0.854
    6   HD13  ILE 128          HD13      ILE 128 105.956  -0.700  -0.423

  No H/Q in entry =           6
  In of MODEL    1
    1    H    HIS 129           H        HIS 129 101.591  -5.352  -1.154
    2    HA   HIS 129           HA       HIS 129 103.121  -7.552   0.099
    3    HB2  HIS 129           HB2      HIS 129 100.767  -7.656   0.666
    4    HB3  HIS 129           HB3      HIS 129 100.321  -7.447  -1.024
    5    HD2  HIS 129           HD2      HIS 129 103.125 -10.047   0.077
    6    HE1  HIS 129           HE1      HIS 129  99.852 -12.121  -1.627
    7    HE2  HIS 129           HE2      HIS 129 102.244 -12.349  -0.833

  No H/Q in entry =           7
  In of MODEL    1
    1    H    LEU 130           H        LEU 130 104.496  -8.627  -1.230
    2    HA   LEU 130           HA       LEU 130 104.233  -8.112  -4.090
    3    HB2  LEU 130           HB2      LEU 130 106.436  -8.222  -2.407
    4    HB3  LEU 130           HB3      LEU 130 106.504  -9.726  -3.280
    5    HG   LEU 130           HG       LEU 130 106.236  -7.036  -4.579
    6   HD11  LEU 130          HD11      LEU 130 108.463  -7.373  -3.553
    7   HD12  LEU 130          HD12      LEU 130 108.622  -8.874  -4.441
    8   HD13  LEU 130          HD13      LEU 130 108.567  -7.355  -5.311
    9   HD21  LEU 130          HD21      LEU 130 105.225  -8.933  -5.865
   10   HD22  LEU 130          HD22      LEU 130 106.610  -8.243  -6.659
   11   HD23  LEU 130          HD23      LEU 130 106.786  -9.745  -5.786

  No H/Q in entry =          11
  In of MODEL    1
    1    H    ILE 131           H        ILE 131 103.006  -9.430  -5.245
    2    HA   ILE 131           HA       ILE 131 102.800 -12.261  -4.525
    3    HB   ILE 131           HB       ILE 131 101.272 -10.514  -6.468
    4   HD11  ILE 131          HD11      ILE 131 100.223  -9.002  -5.046
    5   HD12  ILE 131          HD12      ILE 131  99.674  -9.436  -3.433
    6   HD13  ILE 131          HD13      ILE 131 101.391  -9.324  -3.765

  No H/Q in entry =           6
  In of MODEL    1
    1    H    SER 132           H        SER 132 103.799 -10.242  -7.319
    2    HA   SER 132           HA       SER 132 105.531 -12.421  -8.194
    3    HB2  SER 132           HB2      SER 132 104.520 -12.904 -10.223
    4    HB3  SER 132           HB3      SER 132 103.102 -12.618  -9.215
    5    HG   SER 132           HG       SER 132 102.670 -10.921 -10.364

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL 133           H        VAL 133 107.063 -11.780  -9.814
    2    HA   VAL 133           HA       VAL 133 107.363  -8.843 -10.141
    3    HB   VAL 133           HB       VAL 133 109.570 -10.824  -9.511

  No H/Q in entry =           3
  In of MODEL    1
    1    H    LYS 134           H        LYS 134 108.044  -8.157 -12.104
    2    HA   LYS 134           HA       LYS 134 108.415 -10.151 -14.214
    3    HB2  LYS 134           HB2      LYS 134 106.767  -8.031 -14.224
    4    HB3  LYS 134           HB3      LYS 134 108.246  -7.255 -14.781
    5    HG2  LYS 134           HG2      LYS 134 107.294  -7.934 -16.809
    6    HG3  LYS 134           HG3      LYS 134 108.394  -9.268 -16.460
    7    HD2  LYS 134           HD2      LYS 134 106.447 -10.425 -15.317
    8    HD3  LYS 134           HD3      LYS 134 105.407  -9.171 -15.986
    9    HE2  LYS 134           HE2      LYS 134 107.236 -10.896 -17.678
   10    HE3  LYS 134           HE3      LYS 134 105.534 -11.258 -17.400
   11    HZ1  LYS 134           HZ1      LYS 134 105.355  -8.726 -18.142
   12    HZ2  LYS 134           HZ2      LYS 134 106.748  -9.163 -19.010
   13    HZ3  LYS 134           HZ3      LYS 134 105.297 -10.015 -19.242

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LYS 135           H        LYS 135 109.673  -8.193 -15.909
    2    HA   LYS 135           HA       LYS 135 112.025  -7.153 -14.807
    3    HB2  LYS 135           HB2      LYS 135 112.161  -9.921 -15.103
    4    HB3  LYS 135           HB3      LYS 135 113.019  -9.329 -16.511
    5    HG2  LYS 135           HG2      LYS 135 113.597  -8.290 -13.739
    6    HG3  LYS 135           HG3      LYS 135 114.378  -9.719 -14.399
    7    HD2  LYS 135           HD2      LYS 135 114.352  -7.097 -15.877
    8    HD3  LYS 135           HD3      LYS 135 115.602  -7.468 -14.706
    9    HE2  LYS 135           HE2      LYS 135 115.338  -9.706 -16.477
   10    HE3  LYS 135           HE3      LYS 135 115.476  -8.258 -17.455
   11    HZ1  LYS 135           HZ1      LYS 135 117.273  -8.733 -15.163
   12    HZ2  LYS 135           HZ2      LYS 135 117.614  -9.379 -16.697
   13    HZ3  LYS 135           HZ3      LYS 135 117.495  -7.696 -16.486

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER 136           H        SER 136 112.992  -5.799 -16.116
    2    HA   SER 136           HA       SER 136 111.678  -5.035 -18.527
    3    HB2  SER 136           HB2      SER 136 113.110  -3.205 -18.513
    4    HB3  SER 136           HB3      SER 136 113.146  -3.670 -16.814
    5    HG   SER 136           HG       SER 136 115.248  -3.410 -17.609

  No H/Q in entry =           5
  In of MODEL    1
    1    H    SER 137           H        SER 137 114.998  -6.234 -17.988
    2    HA   SER 137           HA       SER 137 115.147  -8.193 -19.890
    3    HB2  SER 137           HB2      SER 137 114.647  -6.976 -21.788
    4    HB3  SER 137           HB3      SER 137 115.233  -5.466 -21.096
    5    HG   SER 137           HG       SER 137 116.533  -7.350 -22.587

  No H/Q in entry =           5
  In of MODEL    2
    1    H1   PHE   1           H1       PHE   1  96.505  28.570   3.054
    2    H2   PHE   1           H2       PHE   1  95.091  28.682   2.123
    3    H3   PHE   1           H3       PHE   1  94.991  28.666   3.820
    4    HA   PHE   1           HA       PHE   1  94.465  26.509   3.426
    5    HB2  PHE   1           HB2      PHE   1  96.139  26.927   0.957
    6    HB3  PHE   1           HB3      PHE   1  95.794  25.285   1.496
    7    HD1  PHE   1           HD1      PHE   1  93.302  24.735   2.029
    8    HD2  PHE   1           HD2      PHE   1  94.560  28.066  -0.375
    9    HE1  PHE   1           HE1      PHE   1  91.049  24.845   1.005
   10    HE2  PHE   1           HE2      PHE   1  92.302  28.176  -1.400
   11    HZ   PHE   1           HZ       PHE   1  90.546  26.565  -0.709

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ASN   2           H        ASN   2  97.474  27.986   3.868
    2    HA   ASN   2           HA       ASN   2  99.124  25.745   4.368
    3    HB2  ASN   2           HB2      ASN   2  99.254  28.551   5.439
    4    HB3  ASN   2           HB3      ASN   2 100.495  27.340   5.715
    5   HD21  ASN   2          HD21      ASN   2  99.954  26.231   2.881
    6   HD22  ASN   2          HD22      ASN   2 100.756  27.324   1.864

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS   3           H        LYS   3  96.883  27.564   6.397
    2    HA   LYS   3           HA       LYS   3  97.556  26.764   8.927
    3    HB2  LYS   3           HB2      LYS   3  95.281  27.150   9.547
    4    HB3  LYS   3           HB3      LYS   3  95.583  28.219   8.178
    5    HG2  LYS   3           HG2      LYS   3  94.628  26.428   6.670
    6    HG3  LYS   3           HG3      LYS   3  94.171  25.538   8.118
    7    HD2  LYS   3           HD2      LYS   3  92.762  27.376   8.855
    8    HD3  LYS   3           HD3      LYS   3  93.198  28.305   7.413
    9    HE2  LYS   3           HE2      LYS   3  92.275  26.567   5.983
   10    HE3  LYS   3           HE3      LYS   3  91.958  25.553   7.392
   11    HZ1  LYS   3           HZ1      LYS   3  90.810  28.265   7.230
   12    HZ2  LYS   3           HZ2      LYS   3  90.064  26.984   6.400
   13    HZ3  LYS   3           HZ3      LYS   3  90.241  26.910   8.084

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LYS   4           H        LYS   4  95.698  24.924   6.526
    2    HA   LYS   4           HA       LYS   4  95.239  22.697   8.211
    3    HB2  LYS   4           HB2      LYS   4  94.127  23.483   5.937
    4    HB3  LYS   4           HB3      LYS   4  95.299  22.376   5.239
    5    HG2  LYS   4           HG2      LYS   4  93.323  21.669   7.421
    6    HG3  LYS   4           HG3      LYS   4  93.106  21.298   5.716
    7    HD2  LYS   4           HD2      LYS   4  95.348  20.031   5.876
    8    HD3  LYS   4           HD3      LYS   4  95.155  20.190   7.624
    9    HE2  LYS   4           HE2      LYS   4  92.980  19.083   7.544
   10    HE3  LYS   4           HE3      LYS   4  93.086  18.954   5.792
   11    HZ1  LYS   4           HZ1      LYS   4  95.361  17.874   7.188
   12    HZ2  LYS   4           HZ2      LYS   4  93.906  17.075   7.536
   13    HZ3  LYS   4           HZ3      LYS   4  94.438  17.204   5.928

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ALA   5           H        ALA   5  97.666  23.545   5.838
    2    HA   ALA   5           HA       ALA   5  99.051  21.181   5.479
    3    HB1  ALA   5           HB1      ALA   5 100.834  22.529   4.706
    4    HB2  ALA   5           HB2      ALA   5 100.419  23.839   5.782
    5    HB3  ALA   5           HB3      ALA   5  99.400  23.494   4.397

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP   6           H        ASP   6  99.123  23.446   8.112
    2    HA   ASP   6           HA       ASP   6 101.390  22.426   9.449
    3    HB2  ASP   6           HB2      ASP   6  99.007  23.981  10.369
    4    HB3  ASP   6           HB3      ASP   6 100.316  23.523  11.444

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU   7           H        GLU   7  97.932  21.576   9.574
    2    HA   GLU   7           HA       GLU   7  98.117  19.857  11.825
    3    HB2  GLU   7           HB2      GLU   7  96.187  19.491   9.585
    4    HB3  GLU   7           HB3      GLU   7  95.950  19.132  11.289
    5    HG2  GLU   7           HG2      GLU   7  96.135  21.560  11.773
    6    HG3  GLU   7           HG3      GLU   7  96.231  21.863  10.047

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASN   8           H        ASN   8  98.064  19.180   8.384
    2    HA   ASN   8           HA       ASN   8  98.476  16.388   8.549
    3    HB2  ASN   8           HB2      ASN   8  99.497  18.244   6.396
    4    HB3  ASN   8           HB3      ASN   8  99.076  16.553   6.233
    5   HD21  ASN   8          HD21      ASN   8  97.635  17.473   4.457
    6   HD22  ASN   8          HD22      ASN   8  96.106  18.045   4.902

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS   9           H        LYS   9 100.533  19.150   8.570
    2    HA   LYS   9           HA       LYS   9 103.046  17.864   8.326
    3    HB2  LYS   9           HB2      LYS   9 103.032  20.140   7.840
    4    HB3  LYS   9           HB3      LYS   9 102.017  20.496   9.201
    5    HG2  LYS   9           HG2      LYS   9 103.828  20.270  10.741
    6    HG3  LYS   9           HG3      LYS   9 104.877  19.660   9.463
    7    HD2  LYS   9           HD2      LYS   9 104.582  21.853   8.276
    8    HD3  LYS   9           HD3      LYS   9 103.687  22.429   9.677
    9    HE2  LYS   9           HE2      LYS   9 105.637  22.051  11.119
   10    HE3  LYS   9           HE3      LYS   9 106.546  21.433   9.739
   11    HZ1  LYS   9           HZ1      LYS   9 105.586  23.828   8.877
   12    HZ2  LYS   9           HZ2      LYS   9 106.004  24.139  10.494
   13    HZ3  LYS   9           HZ3      LYS   9 107.167  23.530   9.420

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  10           H        VAL  10 101.303  19.060  11.255
    2    HA   VAL  10           HA       VAL  10 103.323  18.140  13.025
    3    HB   VAL  10           HB       VAL  10 100.432  18.826  13.517

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  11           H        LYS  11 100.211  16.704  12.077
    2    HA   LYS  11           HA       LYS  11 100.519  14.390  13.656
    3    HB2  LYS  11           HB2      LYS  11  98.936  14.966  11.185
    4    HB3  LYS  11           HB3      LYS  11  98.944  13.388  11.934
    5    HG2  LYS  11           HG2      LYS  11  97.072  14.377  12.928
    6    HG3  LYS  11           HG3      LYS  11  98.323  14.667  14.129
    7    HD2  LYS  11           HD2      LYS  11  98.702  16.919  13.034
    8    HD3  LYS  11           HD3      LYS  11  97.253  16.614  12.075
    9    HE2  LYS  11           HE2      LYS  11  97.516  17.025  15.039
   10    HE3  LYS  11           HE3      LYS  11  96.415  17.810  13.909
   11    HZ1  LYS  11           HZ1      LYS  11  95.610  15.340  13.598
   12    HZ2  LYS  11           HZ2      LYS  11  96.220  15.181  15.172
   13    HZ3  LYS  11           HZ3      LYS  11  95.004  16.321  14.846

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLY  12           H        GLY  12 101.495  15.343  10.460
    2    HA2  GLY  12           HA2      GLY  12 102.844  14.334   8.871
    3    HA3  GLY  12           HA3      GLY  12 102.543  12.808   9.667

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  13           H        GLU  13 104.097  15.754  10.972
    2    HA   GLU  13           HA       GLU  13 106.742  14.754  10.787
    3    HB2  GLU  13           HB2      GLU  13 105.482  16.797  12.623
    4    HB3  GLU  13           HB3      GLU  13 107.177  16.343  12.771
    5    HG2  GLU  13           HG2      GLU  13 107.572  16.977  10.442
    6    HG3  GLU  13           HG3      GLU  13 105.880  17.422  10.266

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  14           H        ALA  14 104.157  14.284  13.028
    2    HA   ALA  14           HA       ALA  14 105.689  12.961  15.026
    3    HB1  ALA  14           HB1      ALA  14 103.601  14.156  15.556
    4    HB2  ALA  14           HB2      ALA  14 102.707  13.000  14.572
    5    HB3  ALA  14           HB3      ALA  14 103.524  12.464  16.038

  No H/Q in entry =           5
  In of MODEL    2
    1    H    PHE  15           H        PHE  15 103.739  12.120  12.281
    2    HA   PHE  15           HA       PHE  15 103.423   9.361  12.682
    3    HB2  PHE  15           HB2      PHE  15 102.251  10.887  11.054
    4    HB3  PHE  15           HB3      PHE  15 103.710  10.859  10.080
    5    HD1  PHE  15           HD1      PHE  15 104.189   9.061   8.654
    6    HD2  PHE  15           HD2      PHE  15 101.021   8.749  11.528
    7    HE1  PHE  15           HE1      PHE  15 103.348   7.020   7.521
    8    HE2  PHE  15           HE2      PHE  15 100.203   6.691  10.415
    9    HZ   PHE  15           HZ       PHE  15 101.367   5.845   8.403

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LEU  16           H        LEU  16 105.856  11.137  10.766
    2    HA   LEU  16           HA       LEU  16 107.323   8.753  10.149
    3    HB2  LEU  16           HB2      LEU  16 108.043  11.679   9.995
    4    HB3  LEU  16           HB3      LEU  16 109.210  10.423   9.635
    5    HG   LEU  16           HG       LEU  16 107.264   9.513   8.043
    6   HD11  LEU  16          HD11      LEU  16 106.576  12.421   8.486
    7   HD12  LEU  16          HD12      LEU  16 106.217  11.630   6.956
    8   HD13  LEU  16          HD13      LEU  16 105.505  11.025   8.453
    9   HD21  LEU  16          HD21      LEU  16 109.275  11.688   7.556
   10   HD22  LEU  16          HD22      LEU  16 109.313   9.995   7.093
   11   HD23  LEU  16          HD23      LEU  16 108.243  11.105   6.247

  No H/Q in entry =          11
  In of MODEL    2
    1    H    THR  17           H        THR  17 107.503  11.186  12.646
    2    HA   THR  17           HA       THR  17 109.931  10.351  13.812
    3    HB   THR  17           HB       THR  17 107.548  11.631  15.141
    4    HG1  THR  17           HG1      THR  17 108.765  12.680  13.315
    5   HG21  THR  17          HG21      THR  17 110.397  11.206  15.997
    6   HG22  THR  17          HG22      THR  17 109.324  12.390  16.747
    7   HG23  THR  17          HG23      THR  17 108.927  10.678  16.817

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  18           H        GLU  18 106.592   9.409  14.298
    2    HA   GLU  18           HA       GLU  18 107.140   7.604  16.399
    3    HB2  GLU  18           HB2      GLU  18 104.975   8.733  16.154
    4    HB3  GLU  18           HB3      GLU  18 104.718   7.866  14.647
    5    HG2  GLU  18           HG2      GLU  18 104.719   5.740  15.804
    6    HG3  GLU  18           HG3      GLU  18 105.134   6.524  17.325

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASN  19           H        ASN  19 106.398   7.212  12.953
    2    HA   ASN  19           HA       ASN  19 106.328   4.426  12.794
    3    HB2  ASN  19           HB2      ASN  19 105.769   5.361  10.756
    4    HB3  ASN  19           HB3      ASN  19 106.883   6.682  10.987
    5   HD21  ASN  19          HD21      ASN  19 106.413   3.945   9.150
    6   HD22  ASN  19          HD22      ASN  19 107.986   3.764   8.568

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  20           H        LYS  20 109.107   6.536  12.286
    2    HA   LYS  20           HA       LYS  20 110.882   4.470  11.713
    3    HB2  LYS  20           HB2      LYS  20 112.683   6.047  12.183
    4    HB3  LYS  20           HB3      LYS  20 111.397   6.847  11.289
    5    HG2  LYS  20           HG2      LYS  20 110.469   7.572  13.556
    6    HG3  LYS  20           HG3      LYS  20 111.989   7.002  14.245
    7    HD2  LYS  20           HD2      LYS  20 111.799   9.058  12.023
    8    HD3  LYS  20           HD3      LYS  20 112.019   9.453  13.730
    9    HE2  LYS  20           HE2      LYS  20 114.065   7.878  13.635
   10    HE3  LYS  20           HE3      LYS  20 113.911   8.028  11.889
   11    HZ1  LYS  20           HZ1      LYS  20 113.704  10.574  13.036
   12    HZ2  LYS  20           HZ2      LYS  20 115.093   9.821  13.652
   13    HZ3  LYS  20           HZ3      LYS  20 114.892   9.984  11.973

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ASN  21           H        ASN  21 109.613   5.629  14.696
    2    HA   ASN  21           HA       ASN  21 111.552   4.267  16.372
    3    HB2  ASN  21           HB2      ASN  21 109.142   5.974  16.832
    4    HB3  ASN  21           HB3      ASN  21 109.751   4.986  18.152
    5   HD21  ASN  21          HD21      ASN  21 110.598   7.671  15.969
    6   HD22  ASN  21          HD22      ASN  21 111.904   8.227  16.898

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  22           H        LYS  22 108.351   3.682  15.098
    2    HA   LYS  22           HA       LYS  22 107.536   1.702  16.821
    3    HB2  LYS  22           HB2      LYS  22 106.950   2.290  13.972
    4    HB3  LYS  22           HB3      LYS  22 106.217   0.898  14.738
    5    HG2  LYS  22           HG2      LYS  22 105.613   2.769  16.602
    6    HG3  LYS  22           HG3      LYS  22 105.742   3.810  15.198
    7    HD2  LYS  22           HD2      LYS  22 103.998   1.342  15.346
    8    HD3  LYS  22           HD3      LYS  22 103.425   2.998  15.551
    9    HE2  LYS  22           HE2      LYS  22 104.187   3.565  13.290
   10    HE3  LYS  22           HE3      LYS  22 104.816   1.931  13.079
   11    HZ1  LYS  22           HZ1      LYS  22 102.413   1.251  13.681
   12    HZ2  LYS  22           HZ2      LYS  22 102.020   2.841  13.230
   13    HZ3  LYS  22           HZ3      LYS  22 102.749   1.791  12.109

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  23           HA       PRO  23 110.395  -1.676  16.040
    2    HB2  PRO  23           HB2      PRO  23 108.117  -3.520  16.574
    3    HB3  PRO  23           HB3      PRO  23 109.709  -3.439  17.349
    4    HG2  PRO  23           HG2      PRO  23 107.494  -2.572  18.575
    5    HG3  PRO  23           HG3      PRO  23 109.072  -1.795  18.805
    6    HD2  PRO  23           HD2      PRO  23 106.721  -0.840  17.213
    7    HD3  PRO  23           HD3      PRO  23 107.940   0.078  18.125

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  24           H        GLY  24 110.912  -3.138  14.428
    2    HA2  GLY  24           HA2      GLY  24 108.958  -4.055  12.500
    3    HA3  GLY  24           HA3      GLY  24 110.669  -4.463  12.527

  No H/Q in entry =           3
  In of MODEL    2
    1    H    VAL  25           H        VAL  25 109.847  -1.144  12.783
    2    HA   VAL  25           HA       VAL  25 109.953  -0.646   9.916
    3    HB   VAL  25           HB       VAL  25 109.884   1.299  12.230

  No H/Q in entry =           3
  In of MODEL    2
    1    H    VAL  26           H        VAL  26 111.632   0.161   8.823
    2    HA   VAL  26           HA       VAL  26 114.131   0.826  10.292
    3    HB   VAL  26           HB       VAL  26 113.810  -0.655   7.669

  No H/Q in entry =           3
  In of MODEL    2
    1    H    VAL  27           H        VAL  27 114.635   2.920  10.006
    2    HA   VAL  27           HA       VAL  27 113.343   4.366   7.825
    3    HB   VAL  27           HB       VAL  27 113.112   5.360  10.042

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  28           H        LEU  28 114.324   5.616   6.346
    2    HA   LEU  28           HA       LEU  28 117.187   4.975   5.922
    3    HB2  LEU  28           HB2      LEU  28 115.065   5.688   3.891
    4    HB3  LEU  28           HB3      LEU  28 116.736   5.373   3.511
    5    HG   LEU  28           HG       LEU  28 114.879   3.366   4.795
    6   HD11  LEU  28          HD11      LEU  28 114.407   4.068   2.379
    7   HD12  LEU  28          HD12      LEU  28 115.971   3.387   1.980
    8   HD13  LEU  28          HD13      LEU  28 114.702   2.356   2.631
    9   HD21  LEU  28          HD21      LEU  28 117.745   3.278   3.822
   10   HD22  LEU  28          HD22      LEU  28 117.128   2.819   5.409
   11   HD23  LEU  28          HD23      LEU  28 116.774   1.823   4.006

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   PRO  29           HA       PRO  29 118.308   9.194   6.084
    2    HB2  PRO  29           HB2      PRO  29 119.563   9.086   3.396
    3    HB3  PRO  29           HB3      PRO  29 120.296   9.502   4.955
    4    HG2  PRO  29           HG2      PRO  29 120.808   7.177   3.818
    5    HG3  PRO  29           HG3      PRO  29 120.550   7.275   5.571
    6    HD2  PRO  29           HD2      PRO  29 118.642   6.407   3.435
    7    HD3  PRO  29           HD3      PRO  29 118.977   5.641   4.999

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  30           H        SER  30 116.851   8.092   3.110
    2    HA   SER  30           HA       SER  30 116.115  10.632   2.077
    3    HB2  SER  30           HB2      SER  30 114.682   8.023   1.552
    4    HB3  SER  30           HB3      SER  30 114.824   9.425   0.487
    5    HG   SER  30           HG       SER  30 116.291   7.770  -0.084

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  31           H        GLY  31 115.002   8.772   4.668
    2    HA2  GLY  31           HA2      GLY  31 112.703  10.551   5.047
    3    HA3  GLY  31           HA3      GLY  31 113.458   9.547   6.282

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU  32           H        LEU  32 113.257   7.756   3.508
    2    HA   LEU  32           HA       LEU  32 110.509   6.944   3.732
    3    HB2  LEU  32           HB2      LEU  32 111.723   6.889   1.556
    4    HB3  LEU  32           HB3      LEU  32 112.794   5.672   2.191
    5    HG   LEU  32           HG       LEU  32 110.829   4.933   0.670
    6   HD11  LEU  32          HD11      LEU  32 112.249   3.416   2.038
    7   HD12  LEU  32          HD12      LEU  32 111.035   3.498   3.296
    8   HD13  LEU  32          HD13      LEU  32 110.627   2.826   1.731
    9   HD21  LEU  32          HD21      LEU  32 109.151   6.263   1.912
   10   HD22  LEU  32          HD22      LEU  32 108.694   4.589   1.698
   11   HD23  LEU  32          HD23      LEU  32 109.272   5.140   3.250

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLN  33           H        GLN  33 109.745   5.252   4.906
    2    HA   GLN  33           HA       GLN  33 111.696   3.558   6.355
    3    HB2  GLN  33           HB2      GLN  33 109.029   4.620   7.296
    4    HB3  GLN  33           HB3      GLN  33 110.083   3.547   8.198
    5    HG2  GLN  33           HG2      GLN  33 111.063   5.417   9.027
    6    HG3  GLN  33           HG3      GLN  33 111.765   5.619   7.438
    7   HE21  GLN  33          HE21      GLN  33 111.261   7.795   9.109
    8   HE22  GLN  33          HE22      GLN  33 110.086   8.725   8.330

  No H/Q in entry =           8
  In of MODEL    2
    1    H    TYR  34           H        TYR  34 111.258   1.400   6.515
    2    HA   TYR  34           HA       TYR  34 108.725   0.417   5.423
    3    HB2  TYR  34           HB2      TYR  34 109.820  -1.283   4.084
    4    HB3  TYR  34           HB3      TYR  34 110.295   0.321   3.543
    5    HD1  TYR  34           HD1      TYR  34 111.344  -2.530   5.658
    6    HD2  TYR  34           HD2      TYR  34 112.581   0.996   3.566
    7    HE1  TYR  34           HE1      TYR  34 113.715  -3.135   6.062
    8    HE2  TYR  34           HE2      TYR  34 114.954   0.397   3.962
    9    HH   TYR  34           HH       TYR  34 115.880  -2.110   6.143

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS  35           H        LYS  35 107.963  -1.397   6.225
    2    HA   LYS  35           HA       LYS  35 109.503  -2.687   8.370
    3    HB2  LYS  35           HB2      LYS  35 107.792  -1.193   9.264
    4    HB3  LYS  35           HB3      LYS  35 106.551  -2.042   8.373
    5    HG2  LYS  35           HG2      LYS  35 108.290  -3.733  10.035
    6    HG3  LYS  35           HG3      LYS  35 107.312  -2.609  10.953
    7    HD2  LYS  35           HD2      LYS  35 105.302  -3.445   9.813
    8    HD3  LYS  35           HD3      LYS  35 106.294  -4.593   8.913
    9    HE2  LYS  35           HE2      LYS  35 105.310  -5.686  10.874
   10    HE3  LYS  35           HE3      LYS  35 107.054  -5.579  11.041
   11    HZ1  LYS  35           HZ1      LYS  35 105.139  -3.642  12.209
   12    HZ2  LYS  35           HZ2      LYS  35 105.836  -4.931  13.062
   13    HZ3  LYS  35           HZ3      LYS  35 106.820  -3.688  12.455

  No H/Q in entry =          13
  In of MODEL    2
    1    H    VAL  36           H        VAL  36 109.607  -4.789   8.228
    2    HA   VAL  36           HA       VAL  36 108.230  -6.061   5.990
    3    HB   VAL  36           HB       VAL  36 110.551  -6.519   6.120

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ILE  37           H        ILE  37 106.233  -6.579   6.346
    2    HA   ILE  37           HA       ILE  37 105.184  -7.448   8.856
    3    HB   ILE  37           HB       ILE  37 103.962  -8.013   6.152
    4   HD11  ILE  37          HD11      ILE  37 104.198  -5.566   8.835
    5   HD12  ILE  37          HD12      ILE  37 104.119  -4.133   7.850
    6   HD13  ILE  37          HD13      ILE  37 102.650  -5.008   8.263

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASN  38           H        ASN  38 106.228  -8.977   5.898
    2    HA   ASN  38           HA       ASN  38 106.568 -11.542   7.283
    3    HB2  ASN  38           HB2      ASN  38 105.055 -11.115   4.720
    4    HB3  ASN  38           HB3      ASN  38 105.533 -12.675   5.318
    5   HD21  ASN  38          HD21      ASN  38 103.351  -9.946   5.919
    6   HD22  ASN  38          HD22      ASN  38 102.378 -10.759   7.047

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER  39           H        SER  39 108.590 -12.268   6.843
    2    HA   SER  39           HA       SER  39 110.097 -11.064   4.658
    3    HB2  SER  39           HB2      SER  39 111.996 -11.893   5.667
    4    HB3  SER  39           HB3      SER  39 110.947 -11.683   7.068
    5    HG   SER  39           HG       SER  39 110.316 -14.004   6.309

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  40           H        GLY  40 110.416 -11.977   2.728
    2    HA2  GLY  40           HA2      GLY  40 109.382 -13.543   1.141
    3    HA3  GLY  40           HA3      GLY  40 109.652 -14.805   2.335

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASN  41           H        ASN  41 111.888 -12.214   1.633
    2    HA   ASN  41           HA       ASN  41 114.020 -12.186   0.792
    3    HB2  ASN  41           HB2      ASN  41 114.021 -15.088   1.607
    4    HB3  ASN  41           HB3      ASN  41 115.427 -14.043   1.397
    5   HD21  ASN  41          HD21      ASN  41 113.051 -12.083   2.683
    6   HD22  ASN  41          HD22      ASN  41 113.424 -12.251   4.333

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  42           H        GLY  42 111.806 -12.847  -1.021
    2    HA2  GLY  42           HA2      GLY  42 111.388 -13.972  -3.032
    3    HA3  GLY  42           HA3      GLY  42 112.950 -14.759  -2.905

  No H/Q in entry =           3
  In of MODEL    2
    1    H    VAL  43           H        VAL  43 112.017 -13.704  -5.210
    2    HA   VAL  43           HA       VAL  43 114.119 -11.976  -6.009
    3    HB   VAL  43           HB       VAL  43 113.073 -12.006  -8.194

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  44           H        LYS  44 113.254 -10.059  -7.500
    2    HA   LYS  44           HA       LYS  44 111.088  -8.525  -6.801
    3    HB2  LYS  44           HB2      LYS  44 111.814  -6.875  -5.247
    4    HB3  LYS  44           HB3      LYS  44 112.167  -8.410  -4.525
    5    HG2  LYS  44           HG2      LYS  44 114.354  -7.106  -6.114
    6    HG3  LYS  44           HG3      LYS  44 113.955  -6.427  -4.552
    7    HD2  LYS  44           HD2      LYS  44 114.307  -9.401  -4.689
    8    HD3  LYS  44           HD3      LYS  44 115.754  -8.405  -4.801
    9    HE2  LYS  44           HE2      LYS  44 115.455  -7.528  -2.638
   10    HE3  LYS  44           HE3      LYS  44 113.740  -7.922  -2.605
   11    HZ1  LYS  44           HZ1      LYS  44 115.684 -10.092  -2.907
   12    HZ2  LYS  44           HZ2      LYS  44 115.473  -9.400  -1.368
   13    HZ3  LYS  44           HZ3      LYS  44 114.157 -10.098  -2.178

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  45           HA       PRO  45 112.793  -6.404 -10.224
    2    HB2  PRO  45           HB2      PRO  45 111.143  -4.237 -10.342
    3    HB3  PRO  45           HB3      PRO  45 110.621  -5.880 -10.711
    4    HG2  PRO  45           HG2      PRO  45 110.005  -4.192  -8.384
    5    HG3  PRO  45           HG3      PRO  45 109.177  -5.618  -9.009
    6    HD2  PRO  45           HD2      PRO  45 110.988  -5.487  -6.784
    7    HD3  PRO  45           HD3      PRO  45 110.082  -6.892  -7.405

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  46           H        GLY  46 113.851  -4.625 -11.111
    2    HA2  GLY  46           HA2      GLY  46 115.685  -3.163 -10.913
    3    HA3  GLY  46           HA3      GLY  46 115.319  -2.967  -9.201

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  47           H        LYS  47 115.712  -0.705 -10.186
    2    HA   LYS  47           HA       LYS  47 113.395   0.770  -9.977
    3    HB2  LYS  47           HB2      LYS  47 114.624   2.678 -10.758
    4    HB3  LYS  47           HB3      LYS  47 115.692   1.710  -9.752
    5    HG2  LYS  47           HG2      LYS  47 115.666   1.292 -12.745
    6    HG3  LYS  47           HG3      LYS  47 116.543   2.645 -12.070
    7    HD2  LYS  47           HD2      LYS  47 118.161   1.317 -11.171
    8    HD3  LYS  47           HD3      LYS  47 117.063   0.047 -10.722
    9    HE2  LYS  47           HE2      LYS  47 117.028  -0.758 -12.987
   10    HE3  LYS  47           HE3      LYS  47 117.998   0.597 -13.541
   11    HZ1  LYS  47           HZ1      LYS  47 118.866  -1.414 -11.538
   12    HZ2  LYS  47           HZ2      LYS  47 119.314  -1.429 -13.177
   13    HZ3  LYS  47           HZ3      LYS  47 119.807  -0.153 -12.169

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  48           H        SER  48 114.658  -0.923 -12.668
    2    HA   SER  48           HA       SER  48 112.789   0.490 -14.481
    3    HB2  SER  48           HB2      SER  48 115.262  -1.149 -14.992
    4    HB3  SER  48           HB3      SER  48 114.182  -0.614 -16.277
    5    HG   SER  48           HG       SER  48 114.555   1.526 -15.588

  No H/Q in entry =           5
  In of MODEL    2
    1    H    ASP  49           H        ASP  49 113.000  -2.470 -12.785
    2    HA   ASP  49           HA       ASP  49 111.637  -4.030 -14.868
    3    HB2  ASP  49           HB2      ASP  49 112.414  -4.634 -12.048
    4    HB3  ASP  49           HB3      ASP  49 111.499  -5.750 -13.026

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR  50           H        THR  50 109.542  -5.145 -14.259
    2    HA   THR  50           HA       THR  50 107.764  -3.170 -12.974
    3    HB   THR  50           HB       THR  50 106.866  -5.349 -14.824
    4    HG1  THR  50           HG1      THR  50 108.014  -4.230 -16.199
    5   HG21  THR  50          HG21      THR  50 105.652  -2.796 -13.847
    6   HG22  THR  50          HG22      THR  50 104.993  -3.760 -15.157
    7   HG23  THR  50          HG23      THR  50 105.101  -4.451 -13.539

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  51           H        VAL  51 106.215  -3.784 -11.499
    2    HA   VAL  51           HA       VAL  51 106.727  -6.411 -10.224
    3    HB   VAL  51           HB       VAL  51 107.693  -4.337  -9.121

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  52           H        THR  52 105.016  -7.198  -8.812
    2    HA   THR  52           HA       THR  52 102.310  -6.157  -9.502
    3    HB   THR  52           HB       THR  52 103.158  -9.055  -9.341
    4    HG1  THR  52           HG1      THR  52 103.012  -7.239 -11.371
    5   HG21  THR  52          HG21      THR  52 100.522  -7.676  -9.678
    6   HG22  THR  52          HG22      THR  52 100.795  -9.269 -10.376
    7   HG23  THR  52          HG23      THR  52 100.946  -9.049  -8.648

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  53           H        VAL  53 101.398  -5.493  -7.591
    2    HA   VAL  53           HA       VAL  53 101.759  -7.167  -5.199
    3    HB   VAL  53           HB       VAL  53 102.645  -5.368  -3.882

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLU  54           H        GLU  54 100.390  -6.425  -3.349
    2    HA   GLU  54           HA       GLU  54  97.911  -5.003  -4.253
    3    HB2  GLU  54           HB2      GLU  54  97.887  -6.858  -1.864
    4    HB3  GLU  54           HB3      GLU  54  96.562  -6.267  -2.845
    5    HG2  GLU  54           HG2      GLU  54  96.796  -7.875  -4.433
    6    HG3  GLU  54           HG3      GLU  54  98.519  -8.005  -4.254

  No H/Q in entry =           6
  In of MODEL    2
    1    H    TYR  55           H        TYR  55  96.963  -3.549  -2.451
    2    HA   TYR  55           HA       TYR  55  98.647  -3.144  -0.158
    3    HB2  TYR  55           HB2      TYR  55  99.381  -0.871  -0.868
    4    HB3  TYR  55           HB3      TYR  55 100.027  -2.145  -1.904
    5    HD1  TYR  55           HD1      TYR  55  97.329   0.405  -1.628
    6    HD2  TYR  55           HD2      TYR  55  99.408  -2.288  -4.217
    7    HE1  TYR  55           HE1      TYR  55  96.145   1.384  -3.577
    8    HE2  TYR  55           HE2      TYR  55  98.251  -1.300  -6.169
    9    HH   TYR  55           HH       TYR  55  96.297   1.573  -5.895

  No H/Q in entry =           9
  In of MODEL    2
    1    H    THR  56           H        THR  56  98.044  -1.363   1.225
    2    HA   THR  56           HA       THR  56  95.430  -0.167   0.678
    3    HB   THR  56           HB       THR  56  96.223  -1.493   3.219
    4    HG1  THR  56           HG1      THR  56  94.256  -1.651   1.332
    5   HG21  THR  56          HG21      THR  56  94.197   0.735   2.914
    6   HG22  THR  56          HG22      THR  56  94.339  -0.299   4.334
    7   HG23  THR  56          HG23      THR  56  95.653   0.791   3.904

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  57           H        GLY  57  95.416   1.977   0.734
    2    HA2  GLY  57           HA2      GLY  57  96.975   3.881   0.511
    3    HA3  GLY  57           HA3      GLY  57  97.816   3.284   1.926

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ARG  58           H        ARG  58  97.572   4.817   3.449
    2    HA   ARG  58           HA       ARG  58  95.002   6.144   3.708
    3    HB2  ARG  58           HB2      ARG  58  94.525   5.499   5.887
    4    HB3  ARG  58           HB3      ARG  58  95.059   4.000   5.135
    5    HG2  ARG  58           HG2      ARG  58  97.266   4.198   6.123
    6    HG3  ARG  58           HG3      ARG  58  96.913   5.799   6.754
    7    HD2  ARG  58           HD2      ARG  58  96.590   4.463   8.619
    8    HD3  ARG  58           HD3      ARG  58  94.960   4.630   7.991
    9    HE   ARG  58           HE       ARG  58  96.084   2.343   6.815
   10   HH11  ARG  58          HH11      ARG  58  95.128   3.567   9.907
   11   HH12  ARG  58          HH12      ARG  58  94.748   2.010  10.562
   12   HH21  ARG  58          HH21      ARG  58  95.586   0.294   7.667
   13   HH22  ARG  58          HH22      ARG  58  95.007   0.158   9.293

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  59           H        LEU  59  95.003   7.802   5.366
    2    HA   LEU  59           HA       LEU  59  97.402   9.432   5.181
    3    HB2  LEU  59           HB2      LEU  59  94.566   9.784   5.872
    4    HB3  LEU  59           HB3      LEU  59  95.631  10.819   6.789
    5    HG   LEU  59           HG       LEU  59  96.660  11.430   4.475
    6   HD11  LEU  59          HD11      LEU  59  93.978  10.328   3.643
    7   HD12  LEU  59          HD12      LEU  59  95.028  11.282   2.638
    8   HD13  LEU  59          HD13      LEU  59  95.526   9.688   3.174
    9   HD21  LEU  59          HD21      LEU  59  95.146  12.866   5.959
   10   HD22  LEU  59          HD22      LEU  59  95.186  13.258   4.247
   11   HD23  LEU  59          HD23      LEU  59  93.827  12.374   4.908

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE  60           H        ILE  60  98.240  10.497   7.104
    2    HA   ILE  60           HA       ILE  60  99.076   8.708   9.113
    3    HB   ILE  60           HB       ILE  60 100.033  10.584  10.200
    4   HD11  ILE  60          HD11      ILE  60  98.785  12.753   7.430
    5   HD12  ILE  60          HD12      ILE  60  97.313  11.932   7.943
    6   HD13  ILE  60          HD13      ILE  60  97.593  13.586   8.430

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ASP  61           H        ASP  61  96.335  10.661   8.742
    2    HA   ASP  61           HA       ASP  61  95.497  10.544  11.528
    3    HB2  ASP  61           HB2      ASP  61  95.312  12.593  10.068
    4    HB3  ASP  61           HB3      ASP  61  94.032  11.752   9.188

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLY  62           H        GLY  62  95.356   8.400   9.069
    2    HA2  GLY  62           HA2      GLY  62  93.005   7.097  10.230
    3    HA3  GLY  62           HA3      GLY  62  94.188   6.370   9.172

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  63           H        THR  63  93.276   9.323   7.817
    2    HA   THR  63           HA       THR  63  90.781   8.523   6.647
    3    HB   THR  63           HB       THR  63  92.662  10.530   5.416
    4    HG1  THR  63           HG1      THR  63  91.498  12.021   6.792
    5   HG21  THR  63          HG21      THR  63  90.494   9.709   4.316
    6   HG22  THR  63          HG22      THR  63  89.674  10.573   5.606
    7   HG23  THR  63          HG23      THR  63  90.704  11.453   4.485

  No H/Q in entry =           7
  In of MODEL    2
    1    H    VAL  64           H        VAL  64  90.714   6.696   5.493
    2    HA   VAL  64           HA       VAL  64  92.911   5.858   3.838
    3    HB   VAL  64           HB       VAL  64  90.144   4.711   4.120

  No H/Q in entry =           3
  In of MODEL    2
    1    H    PHE  65           H        PHE  65  93.359   6.473   1.916
    2    HA   PHE  65           HA       PHE  65  91.194   7.692   0.306
    3    HB2  PHE  65           HB2      PHE  65  92.794   9.067  -0.742
    4    HB3  PHE  65           HB3      PHE  65  93.041   9.170   0.994
    5    HD1  PHE  65           HD1      PHE  65  94.824   7.636   2.024
    6    HD2  PHE  65           HD2      PHE  65  94.641   8.595  -2.146
    7    HE1  PHE  65           HE1      PHE  65  97.237   7.103   1.798
    8    HE2  PHE  65           HE2      PHE  65  97.058   8.064  -2.361
    9    HZ   PHE  65           HZ       PHE  65  98.345   7.344  -0.390

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP  66           H        ASP  66  93.175   4.998   0.509
    2    HA   ASP  66           HA       ASP  66  92.142   4.030  -1.992
    3    HB2  ASP  66           HB2      ASP  66  94.372   3.407  -2.931
    4    HB3  ASP  66           HB3      ASP  66  94.032   5.122  -2.957

  No H/Q in entry =           4
  In of MODEL    2
    1    H    SER  67           H        SER  67  92.443   1.803  -2.326
    2    HA   SER  67           HA       SER  67  93.879   0.244  -0.429
    3    HB2  SER  67           HB2      SER  67  92.063  -0.903   0.606
    4    HB3  SER  67           HB3      SER  67  91.851   0.824   0.858
    5    HG   SER  67           HG       SER  67  90.090   0.744  -0.292

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  68           H        THR  68  94.051  -1.948  -0.936
    2    HA   THR  68           HA       THR  68  92.740  -2.938  -3.355
    3    HB   THR  68           HB       THR  68  95.736  -2.565  -3.208
    4    HG1  THR  68           HG1      THR  68  95.310  -1.237  -5.044
    5   HG21  THR  68          HG21      THR  68  93.944  -3.988  -5.155
    6   HG22  THR  68          HG22      THR  68  95.540  -3.404  -5.611
    7   HG23  THR  68          HG23      THR  68  95.375  -4.590  -4.329

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  69           H        GLU  69  95.214  -3.420  -0.884
    2    HA   GLU  69           HA       GLU  69  95.397  -6.217  -1.126
    3    HB2  GLU  69           HB2      GLU  69  96.382  -6.159   1.125
    4    HB3  GLU  69           HB3      GLU  69  97.111  -5.048  -0.020
    5    HG2  GLU  69           HG2      GLU  69  96.914  -3.646   1.765
    6    HG3  GLU  69           HG3      GLU  69  95.405  -3.355   0.939

  No H/Q in entry =           6
  In of MODEL    2
    1    H    LYS  70           H        LYS  70  93.058  -4.168   0.374
    2    HA   LYS  70           HA       LYS  70  91.939  -5.925   2.206
    3    HB2  LYS  70           HB2      LYS  70  90.537  -3.931   0.441
    4    HB3  LYS  70           HB3      LYS  70  89.849  -4.665   1.890
    5    HG2  LYS  70           HG2      LYS  70  92.405  -3.082   1.853
    6    HG3  LYS  70           HG3      LYS  70  90.842  -2.368   2.239
    7    HD2  LYS  70           HD2      LYS  70  90.650  -4.109   4.091
    8    HD3  LYS  70           HD3      LYS  70  92.332  -4.516   3.779
    9    HE2  LYS  70           HE2      LYS  70  93.037  -2.246   4.224
   10    HE3  LYS  70           HE3      LYS  70  91.365  -1.741   4.471
   11    HZ1  LYS  70           HZ1      LYS  70  91.375  -3.630   6.215
   12    HZ2  LYS  70           HZ2      LYS  70  93.063  -3.446   6.165
   13    HZ3  LYS  70           HZ3      LYS  70  92.082  -2.135   6.606

  No H/Q in entry =          13
  In of MODEL    2
    1    H    THR  71           H        THR  71  91.487  -5.545  -1.233
    2    HA   THR  71           HA       THR  71  89.638  -7.759  -1.459
    3    HB   THR  71           HB       THR  71  90.068  -7.367  -3.951
    4    HG1  THR  71           HG1      THR  71  91.726  -6.165  -4.308
    5   HG21  THR  71          HG21      THR  71  89.047  -5.090  -2.237
    6   HG22  THR  71          HG22      THR  71  88.721  -5.284  -3.959
    7   HG23  THR  71          HG23      THR  71  88.102  -6.466  -2.805

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  72           H        GLY  72  93.055  -7.123  -1.765
    2    HA2  GLY  72           HA2      GLY  72  93.649  -9.943  -1.743
    3    HA3  GLY  72           HA3      GLY  72  94.813  -8.629  -1.646

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS  73           H        LYS  73  93.305  -7.496  -4.119
    2    HA   LYS  73           HA       LYS  73  94.322  -9.362  -6.145
    3    HB2  LYS  73           HB2      LYS  73  92.321  -7.152  -6.139
    4    HB3  LYS  73           HB3      LYS  73  93.152  -7.474  -7.657
    5    HG2  LYS  73           HG2      LYS  73  91.318  -8.864  -7.870
    6    HG3  LYS  73           HG3      LYS  73  92.474  -9.986  -7.171
    7    HD2  LYS  73           HD2      LYS  73  91.471  -9.108  -4.874
    8    HD3  LYS  73           HD3      LYS  73  90.108  -8.646  -5.887
    9    HE2  LYS  73           HE2      LYS  73  89.797 -10.882  -4.939
   10    HE3  LYS  73           HE3      LYS  73  89.925 -10.966  -6.695
   11    HZ1  LYS  73           HZ1      LYS  73  92.356 -11.229  -5.071
   12    HZ2  LYS  73           HZ2      LYS  73  91.305 -12.559  -5.188
   13    HZ3  LYS  73           HZ3      LYS  73  91.998 -11.896  -6.590

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  74           HA       PRO  74  98.017  -6.845  -6.216
    2    HB2  PRO  74           HB2      PRO  74  98.670  -8.455  -8.638
    3    HB3  PRO  74           HB3      PRO  74  99.611  -8.173  -7.162
    4    HG2  PRO  74           HG2      PRO  74  98.425 -10.500  -7.592
    5    HG3  PRO  74           HG3      PRO  74  98.477  -9.780  -5.982
    6    HD2  PRO  74           HD2      PRO  74  96.223  -9.837  -7.941
    7    HD3  PRO  74           HD3      PRO  74  96.244 -10.118  -6.191

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  75           H        ALA  75  99.025  -5.315  -7.471
    2    HA   ALA  75           HA       ALA  75  97.632  -4.383  -9.916
    3    HB1  ALA  75           HB1      ALA  75  97.303  -2.988  -7.735
    4    HB2  ALA  75           HB2      ALA  75  97.771  -2.148  -9.211
    5    HB3  ALA  75           HB3      ALA  75  98.983  -2.514  -7.984

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  76           H        THR  76  99.078  -3.632 -11.563
    2    HA   THR  76           HA       THR  76 101.895  -4.346 -11.064
    3    HB   THR  76           HB       THR  76 101.081  -5.597 -12.859
    4    HG1  THR  76           HG1      THR  76 102.705  -5.076 -14.057
    5   HG21  THR  76          HG21      THR  76  99.858  -2.996 -13.793
    6   HG22  THR  76          HG22      THR  76 100.010  -4.403 -14.847
    7   HG23  THR  76          HG23      THR  76  99.025  -4.497 -13.387

  No H/Q in entry =           7
  In of MODEL    2
    1    H    PHE  77           H        PHE  77 103.501  -2.986 -11.169
    2    HA   PHE  77           HA       PHE  77 103.127  -0.341 -12.374
    3    HB2  PHE  77           HB2      PHE  77 104.282  -0.742  -9.633
    4    HB3  PHE  77           HB3      PHE  77 104.039   0.769 -10.465
    5    HD1  PHE  77           HD1      PHE  77 102.867  -0.901  -7.844
    6    HD2  PHE  77           HD2      PHE  77 101.325   0.697 -11.519
    7    HE1  PHE  77           HE1      PHE  77 100.564  -0.786  -6.860
    8    HE2  PHE  77           HE2      PHE  77  99.066   0.811 -10.548
    9    HZ   PHE  77           HZ       PHE  77  98.677   0.046  -8.227

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLN  78           H        GLN  78 105.005   0.671 -12.892
    2    HA   GLN  78           HA       GLN  78 107.354  -1.066 -13.069
    3    HB2  GLN  78           HB2      GLN  78 106.676   1.516 -14.451
    4    HB3  GLN  78           HB3      GLN  78 108.248   0.750 -14.555
    5    HG2  GLN  78           HG2      GLN  78 107.123  -1.315 -15.373
    6    HG3  GLN  78           HG3      GLN  78 105.619  -0.417 -15.425
    7   HE21  GLN  78          HE21      GLN  78 108.083   1.705 -16.064
    8   HE22  GLN  78          HE22      GLN  78 108.060   1.679 -17.759

  No H/Q in entry =           8
  In of MODEL    2
    1    H    VAL  79           H        VAL  79 108.934  -0.809 -11.665
    2    HA   VAL  79           HA       VAL  79 108.708   0.812  -9.459
    3    HB   VAL  79           HB       VAL  79 111.332  -0.091 -10.659

  No H/Q in entry =           3
  In of MODEL    2
    1    H    SER  80           H        SER  80 110.061   1.588 -12.643
    2    HA   SER  80           HA       SER  80 111.406   3.947 -11.780
    3    HB2  SER  80           HB2      SER  80 112.242   3.107 -13.788
    4    HB3  SER  80           HB3      SER  80 110.631   2.850 -14.451
    5    HG   SER  80           HG       SER  80 111.779   5.376 -13.849

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLN  81           H        GLN  81 108.153   3.247 -12.675
    2    HA   GLN  81           HA       GLN  81 107.499   6.096 -13.053
    3    HB2  GLN  81           HB2      GLN  81 105.703   3.708 -13.331
    4    HB3  GLN  81           HB3      GLN  81 105.429   5.349 -13.920
    5    HG2  GLN  81           HG2      GLN  81 107.673   3.536 -14.818
    6    HG3  GLN  81           HG3      GLN  81 106.178   3.879 -15.691
    7   HE21  GLN  81          HE21      GLN  81 109.265   4.652 -15.984
    8   HE22  GLN  81          HE22      GLN  81 109.168   6.291 -16.410

  No H/Q in entry =           8
  In of MODEL    2
    1    H    VAL  82           H        VAL  82 107.349   3.695 -10.622
    2    HA   VAL  82           HA       VAL  82 104.935   4.554  -9.355
    3    HB   VAL  82           HB       VAL  82 106.294   2.324  -9.308

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ILE  83           H        ILE  83 104.928   5.232  -6.998
    2    HA   ILE  83           HA       ILE  83 105.959   7.806  -6.788
    3    HB   ILE  83           HB       ILE  83 105.506   6.586  -4.144
    4   HD11  ILE  83          HD11      ILE  83 103.186   6.309  -3.334
    5   HD12  ILE  83          HD12      ILE  83 102.130   6.996  -4.568
    6   HD13  ILE  83          HD13      ILE  83 102.136   5.260  -4.273

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   PRO  84           HA       PRO  84 110.276   7.371  -5.853
    2    HB2  PRO  84           HB2      PRO  84 109.846   9.112  -3.456
    3    HB3  PRO  84           HB3      PRO  84 111.060   9.260  -4.740
    4    HG2  PRO  84           HG2      PRO  84 108.965  10.865  -4.687
    5    HG3  PRO  84           HG3      PRO  84 109.547  10.202  -6.212
    6    HD2  PRO  84           HD2      PRO  84 107.178   9.410  -4.628
    7    HD3  PRO  84           HD3      PRO  84 107.355   9.465  -6.381

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  85           H        GLY  85 108.259   7.395  -2.919
    2    HA2  GLY  85           HA2      GLY  85 108.277   6.001  -1.092
    3    HA3  GLY  85           HA3      GLY  85 110.021   5.976  -1.265

  No H/Q in entry =           3
  In of MODEL    2
    1    H    TRP  86           H        TRP  86 107.408   4.881  -3.335
    2    HA   TRP  86           HA       TRP  86 107.656   2.092  -2.829
    3    HB2  TRP  86           HB2      TRP  86 106.296   3.837  -4.851
    4    HB3  TRP  86           HB3      TRP  86 106.474   2.133  -5.247
    5    HD1  TRP  86           HD1      TRP  86 105.332   4.088  -2.092
    6    HE1  TRP  86           HE1      TRP  86 103.208   2.994  -1.200
    7    HE3  TRP  86           HE3      TRP  86 104.807   0.353  -5.489
    8    HZ2  TRP  86           HZ2      TRP  86 101.516   0.786  -1.849
    9    HZ3  TRP  86           HZ3      TRP  86 102.916  -1.196  -5.347
   10    HH2  TRP  86           HH2      TRP  86 101.256  -1.007  -3.523

  No H/Q in entry =          10
  In of MODEL    2
    1    H    THR  87           H        THR  87 109.208   4.265  -5.135
    2    HA   THR  87           HA       THR  87 110.201   2.451  -6.962
    3    HB   THR  87           HB       THR  87 111.641   4.881  -5.893
    4    HG1  THR  87           HG1      THR  87 109.732   5.640  -6.512
    5   HG21  THR  87          HG21      THR  87 112.872   3.279  -7.470
    6   HG22  THR  87          HG22      THR  87 111.700   3.761  -8.679
    7   HG23  THR  87          HG23      THR  87 112.754   4.951  -7.987

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLU  88           H        GLU  88 111.855   3.644  -4.041
    2    HA   GLU  88           HA       GLU  88 114.026   1.818  -4.322
    3    HB2  GLU  88           HB2      GLU  88 114.160   4.037  -3.180
    4    HB3  GLU  88           HB3      GLU  88 113.232   3.348  -1.846
    5    HG2  GLU  88           HG2      GLU  88 114.946   1.632  -1.506
    6    HG3  GLU  88           HG3      GLU  88 115.861   2.251  -2.877

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ALA  89           H        ALA  89 111.143   1.840  -2.243
    2    HA   ALA  89           HA       ALA  89 111.813  -0.290  -0.585
    3    HB1  ALA  89           HB1      ALA  89 109.142   0.682  -1.564
    4    HB2  ALA  89           HB2      ALA  89 109.939   1.033  -0.031
    5    HB3  ALA  89           HB3      ALA  89 109.326  -0.583  -0.356

  No H/Q in entry =           5
  In of MODEL    2
    1    H    LEU  90           H        LEU  90 110.027  -0.493  -3.708
    2    HA   LEU  90           HA       LEU  90 109.440  -3.239  -3.586
    3    HB2  LEU  90           HB2      LEU  90 110.100  -1.566  -6.026
    4    HB3  LEU  90           HB3      LEU  90 109.299  -3.123  -6.046
    5    HG   LEU  90           HG       LEU  90 108.190  -0.828  -4.435
    6   HD11  LEU  90          HD11      LEU  90 107.808  -1.443  -7.354
    7   HD12  LEU  90          HD12      LEU  90 106.704  -0.435  -6.449
    8   HD13  LEU  90          HD13      LEU  90 108.384   0.050  -6.650
    9   HD21  LEU  90          HD21      LEU  90 107.080  -3.361  -5.604
   10   HD22  LEU  90          HD22      LEU  90 107.167  -2.919  -3.917
   11   HD23  LEU  90          HD23      LEU  90 106.058  -2.091  -5.003

  No H/Q in entry =          11
  In of MODEL    2
    1    H    GLN  91           H        GLN  91 112.260  -1.520  -4.795
    2    HA   GLN  91           HA       GLN  91 113.637  -3.709  -5.858
    3    HB2  GLN  91           HB2      GLN  91 114.692  -1.123  -4.716
    4    HB3  GLN  91           HB3      GLN  91 115.603  -2.229  -5.741
    5    HG2  GLN  91           HG2      GLN  91 113.999  -1.931  -7.552
    6    HG3  GLN  91           HG3      GLN  91 112.999  -0.910  -6.522
    7   HE21  GLN  91          HE21      GLN  91 113.224   1.148  -7.456
    8   HE22  GLN  91          HE22      GLN  91 114.715   1.897  -7.775

  No H/Q in entry =           8
  In of MODEL    2
    1    H    LEU  92           H        LEU  92 113.158  -2.598  -2.623
    2    HA   LEU  92           HA       LEU  92 115.309  -4.340  -1.581
    3    HB2  LEU  92           HB2      LEU  92 113.626  -2.255  -0.180
    4    HB3  LEU  92           HB3      LEU  92 114.954  -3.164   0.541
    5    HG   LEU  92           HG       LEU  92 115.240  -1.334  -1.848
    6   HD11  LEU  92          HD11      LEU  92 115.844  -0.898   1.060
    7   HD12  LEU  92          HD12      LEU  92 116.369   0.159  -0.252
    8   HD13  LEU  92          HD13      LEU  92 114.653  -0.048   0.079
    9   HD21  LEU  92          HD21      LEU  92 117.152  -2.980  -0.228
   10   HD22  LEU  92          HD22      LEU  92 117.019  -2.853  -1.981
   11   HD23  LEU  92          HD23      LEU  92 117.693  -1.523  -1.053

  No H/Q in entry =          11
  In of MODEL    2
    1    H    MET  93           H        MET  93 111.981  -4.361  -2.136
    2    HA   MET  93           HA       MET  93 111.359  -6.047   0.166
    3    HB2  MET  93           HB2      MET  93 109.728  -4.391  -0.510
    4    HB3  MET  93           HB3      MET  93 109.646  -5.100  -2.122
    5    HG2  MET  93           HG2      MET  93 108.611  -7.065  -1.336
    6    HG3  MET  93           HG3      MET  93 109.108  -6.776   0.330
    7    HE1  MET  93           HE1      MET  93 107.426  -5.547  -2.654
    8    HE2  MET  93           HE2      MET  93 105.763  -5.821  -2.148
    9    HE3  MET  93           HE3      MET  93 106.438  -4.190  -2.139

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   PRO  94           HA       PRO  94 112.375  -9.618  -2.579
    2    HB2  PRO  94           HB2      PRO  94 111.918 -11.196  -0.137
    3    HB3  PRO  94           HB3      PRO  94 113.350 -11.133  -1.171
    4    HG2  PRO  94           HG2      PRO  94 113.339 -10.049   1.268
    5    HG3  PRO  94           HG3      PRO  94 114.198  -9.284  -0.083
    6    HD2  PRO  94           HD2      PRO  94 111.519  -8.598   1.062
    7    HD3  PRO  94           HD3      PRO  94 112.847  -7.544   0.599

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  95           H        ALA  95 111.142 -11.159  -3.587
    2    HA   ALA  95           HA       ALA  95 108.360 -10.826  -3.489
    3    HB1  ALA  95           HB1      ALA  95 110.012 -12.949  -4.796
    4    HB2  ALA  95           HB2      ALA  95 108.258 -12.817  -4.974
    5    HB3  ALA  95           HB3      ALA  95 109.301 -11.515  -5.542

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  96           H        GLY  96 106.744 -11.824  -2.593
    2    HA2  GLY  96           HA2      GLY  96 107.198 -14.265  -1.038
    3    HA3  GLY  96           HA3      GLY  96 105.646 -13.527  -1.439

  No H/Q in entry =           3
  In of MODEL    2
    1    H    SER  97           H        SER  97 108.133 -11.378  -0.467
    2    HA   SER  97           HA       SER  97 107.400 -11.436   2.345
    3    HB2  SER  97           HB2      SER  97 109.271 -10.101   2.708
    4    HB3  SER  97           HB3      SER  97 109.763 -10.992   1.269
    5    HG   SER  97           HG       SER  97 108.311  -8.675   0.830

  No H/Q in entry =           5
  In of MODEL    2
    1    H    THR  98           H        THR  98 106.085 -10.056   3.337
    2    HA   THR  98           HA       THR  98 104.766  -7.985   1.705
    3    HB   THR  98           HB       THR  98 103.789  -9.305   4.240
    4    HG1  THR  98           HG1      THR  98 103.778 -10.729   2.484
    5   HG21  THR  98          HG21      THR  98 102.582  -7.325   2.296
    6   HG22  THR  98          HG22      THR  98 101.656  -8.224   3.500
    7   HG23  THR  98          HG23      THR  98 102.906  -7.094   4.008

  No H/Q in entry =           7
  In of MODEL    2
    1    H    TRP  99           H        TRP  99 105.523  -6.010   2.043
    2    HA   TRP  99           HA       TRP  99 106.455  -5.312   4.767
    3    HB2  TRP  99           HB2      TRP  99 107.277  -4.204   2.085
    4    HB3  TRP  99           HB3      TRP  99 107.741  -3.486   3.611
    5    HD1  TRP  99           HD1      TRP  99 107.838  -7.224   3.825
    6    HE1  TRP  99           HE1      TRP  99 110.246  -8.045   3.694
    7    HE3  TRP  99           HE3      TRP  99 110.081  -2.897   2.333
    8    HZ2  TRP  99           HZ2      TRP  99 112.841  -6.980   3.047
    9    HZ3  TRP  99           HZ3      TRP  99 112.535  -2.827   1.977
   10    HH2  TRP  99           HH2      TRP  99 113.916  -4.858   2.336

  No H/Q in entry =          10
  In of MODEL    2
    1    H    GLU 100           H        GLU 100 106.268  -3.077   5.319
    2    HA   GLU 100           HA       GLU 100 103.988  -1.642   4.126
    3    HB2  GLU 100           HB2      GLU 100 104.622  -2.039   7.051
    4    HB3  GLU 100           HB3      GLU 100 103.666  -0.669   6.490
    5    HG2  GLU 100           HG2      GLU 100 102.050  -2.145   5.481
    6    HG3  GLU 100           HG3      GLU 100 103.001  -3.553   5.896

  No H/Q in entry =           6
  In of MODEL    2
    1    H    ILE 101           H        ILE 101 104.616   0.345   3.431
    2    HA   ILE 101           HA       ILE 101 107.046   1.446   4.608
    3    HB   ILE 101           HB       ILE 101 107.956   2.045   2.588
    4   HD11  ILE 101          HD11      ILE 101 107.977   2.778   0.356
    5   HD12  ILE 101          HD12      ILE 101 107.326   1.233  -0.179
    6   HD13  ILE 101          HD13      ILE 101 106.538   2.725  -0.646

  No H/Q in entry =           6
  In of MODEL    2
    1    H    TYR 102           H        TYR 102 107.105   3.445   5.165
    2    HA   TYR 102           HA       TYR 102 104.586   4.982   4.997
    3    HB2  TYR 102           HB2      TYR 102 106.892   5.249   6.939
    4    HB3  TYR 102           HB3      TYR 102 105.344   6.048   7.053
    5    HD1  TYR 102           HD1      TYR 102 106.417   2.445   6.495
    6    HD2  TYR 102           HD2      TYR 102 104.041   5.174   8.796
    7    HE1  TYR 102           HE1      TYR 102 105.540   0.571   7.760
    8    HE2  TYR 102           HE2      TYR 102 103.158   3.267  10.106
    9    HH   TYR 102           HH       TYR 102 104.205  -0.077   9.413

  No H/Q in entry =           9
  In of MODEL    2
    1    H    VAL 103           H        VAL 103 104.844   6.165   3.214
    2    HA   VAL 103           HA       VAL 103 107.395   7.156   2.436
    3    HB   VAL 103           HB       VAL 103 104.815   7.670   1.057

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO 104           HA       PRO 104 106.821  11.187   4.407
    2    HB2  PRO 104           HB2      PRO 104 109.037  11.815   2.493
    3    HB3  PRO 104           HB3      PRO 104 108.933  12.148   4.233
    4    HG2  PRO 104           HG2      PRO 104 110.472  10.176   3.224
    5    HG3  PRO 104           HG3      PRO 104 109.715  10.060   4.805
    6    HD2  PRO 104           HD2      PRO 104 109.045   8.643   2.317
    7    HD3  PRO 104           HD3      PRO 104 108.689   8.205   4.005

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER 105           H        SER 105 105.698  12.995   3.644
    2    HA   SER 105           HA       SER 105 104.205  12.850   1.351
    3    HB2  SER 105           HB2      SER 105 103.774  15.243   1.607
    4    HB3  SER 105           HB3      SER 105 103.779  14.454   3.182
    5    HG   SER 105           HG       SER 105 106.121  15.584   2.084

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY 106           H        GLY 106 107.442  14.144   1.755
    2    HA2  GLY 106           HA2      GLY 106 109.019  14.860   0.244
    3    HA3  GLY 106           HA3      GLY 106 107.691  15.386  -0.782

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LEU 107           H        LEU 107 108.121  12.086   0.333
    2    HA   LEU 107           HA       LEU 107 109.136  11.262  -2.321
    3    HB2  LEU 107           HB2      LEU 107 108.909   9.660   0.245
    4    HB3  LEU 107           HB3      LEU 107 109.663   9.119  -1.229
    5    HG   LEU 107           HG       LEU 107 110.587  11.384   0.541
    6   HD11  LEU 107          HD11      LEU 107 111.144   9.110   1.304
    7   HD12  LEU 107          HD12      LEU 107 111.886   8.780  -0.255
    8   HD13  LEU 107          HD13      LEU 107 112.585   9.995   0.811
    9   HD21  LEU 107          HD21      LEU 107 111.374  10.605  -2.249
   10   HD22  LEU 107          HD22      LEU 107 111.132  12.214  -1.576
   11   HD23  LEU 107          HD23      LEU 107 112.580  11.298  -1.168

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ALA 108           H        ALA 108 106.187  11.720  -0.965
    2    HA   ALA 108           HA       ALA 108 105.026   9.276  -2.116
    3    HB1  ALA 108           HB1      ALA 108 103.717  11.248  -0.243
    4    HB2  ALA 108           HB2      ALA 108 103.105   9.682  -0.745
    5    HB3  ALA 108           HB3      ALA 108 104.516   9.793   0.273

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR 109           H        TYR 109 102.833  11.797  -1.540
    2    HA   TYR 109           HA       TYR 109 102.518  12.188  -4.417
    3    HB2  TYR 109           HB2      TYR 109 100.639  12.360  -2.082
    4    HB3  TYR 109           HB3      TYR 109 100.224  13.083  -3.640
    5    HD1  TYR 109           HD1      TYR 109 100.504   9.998  -1.797
    6    HD2  TYR 109           HD2      TYR 109 100.396  11.657  -5.727
    7    HE1  TYR 109           HE1      TYR 109 100.091   7.780  -2.718
    8    HE2  TYR 109           HE2      TYR 109 100.012   9.418  -6.674
    9    HH   TYR 109           HH       TYR 109 100.340   6.569  -4.732

  No H/Q in entry =           9
  In of MODEL    2
    1    H    GLY 110           H        GLY 110 104.166  13.699  -2.128
    2    HA2  GLY 110           HA2      GLY 110 103.834  16.306  -3.461
    3    HA3  GLY 110           HA3      GLY 110 105.263  15.749  -2.617

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO 111           HA       PRO 111 104.039  17.821   1.061
    2    HB2  PRO 111           HB2      PRO 111 105.011  20.322   0.680
    3    HB3  PRO 111           HB3      PRO 111 106.055  18.918   0.935
    4    HG2  PRO 111           HG2      PRO 111 105.331  20.263  -1.624
    5    HG3  PRO 111           HG3      PRO 111 106.905  19.666  -1.076
    6    HD2  PRO 111           HD2      PRO 111 105.321  18.267  -2.795
    7    HD3  PRO 111           HD3      PRO 111 106.416  17.475  -1.650

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ARG 112           H        ARG 112 102.791  18.900  -1.959
    2    HA   ARG 112           HA       ARG 112 100.854  20.743  -0.703
    3    HB2  ARG 112           HB2      ARG 112 101.794  20.231  -3.512
    4    HB3  ARG 112           HB3      ARG 112 100.175  20.886  -3.287
    5    HG2  ARG 112           HG2      ARG 112 101.596  22.774  -3.544
    6    HG3  ARG 112           HG3      ARG 112 101.269  22.685  -1.816
    7    HD2  ARG 112           HD2      ARG 112 103.392  21.494  -1.478
    8    HD3  ARG 112           HD3      ARG 112 103.728  21.581  -3.202
    9    HE   ARG 112           HE       ARG 112 103.839  23.799  -1.285
   10   HH11  ARG 112          HH11      ARG 112 103.961  22.678  -4.568
   11   HH12  ARG 112          HH12      ARG 112 104.695  24.123  -5.173
   12   HH21  ARG 112          HH21      ARG 112 104.793  25.695  -2.087
   13   HH22  ARG 112          HH22      ARG 112 105.167  25.827  -3.772

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER 113           H        SER 113  98.535  20.501  -1.567
    2    HA   SER 113           HA       SER 113  97.679  17.826  -1.015
    3    HB2  SER 113           HB2      SER 113  95.920  20.002  -2.111
    4    HB3  SER 113           HB3      SER 113  95.501  18.670  -1.041
    5    HG   SER 113           HG       SER 113  97.445  20.517  -0.234

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL 114           H        VAL 114  98.748  16.692  -2.726
    2    HA   VAL 114           HA       VAL 114  97.745  17.175  -5.453
    3    HB   VAL 114           HB       VAL 114  99.801  15.111  -4.682

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLY 115           H        GLY 115  95.618  16.307  -4.213
    2    HA2  GLY 115           HA2      GLY 115  95.417  13.493  -3.823
    3    HA3  GLY 115           HA3      GLY 115  94.886  13.925  -5.443

  No H/Q in entry =           3
  In of MODEL    2
    1    H    GLY 116           H        GLY 116  93.057  12.765  -3.920
    2    HA2  GLY 116           HA2      GLY 116  90.835  13.006  -3.306
    3    HA3  GLY 116           HA3      GLY 116  90.973  14.704  -3.708

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO 117           HA       PRO 117  90.428  14.382   0.922
    2    HB2  PRO 117           HB2      PRO 117  91.302  12.150   2.250
    3    HB3  PRO 117           HB3      PRO 117  89.690  12.297   1.547
    4    HG2  PRO 117           HG2      PRO 117  92.125  11.052   0.373
    5    HG3  PRO 117           HG3      PRO 117  90.479  10.417   0.431
    6    HD2  PRO 117           HD2      PRO 117  91.402  11.501  -1.792
    7    HD3  PRO 117           HD3      PRO 117  89.746  11.868  -1.255

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ILE 118           H        ILE 118  93.324  13.336  -0.530
    2    HA   ILE 118           HA       ILE 118  95.140  13.822   1.602
    3    HB   ILE 118           HB       ILE 118  95.667  14.062  -1.374
    4   HD11  ILE 118          HD11      ILE 118  94.107  12.502  -1.916
    5   HD12  ILE 118          HD12      ILE 118  95.254  11.293  -2.473
    6   HD13  ILE 118          HD13      ILE 118  94.075  10.883  -1.243

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY 119           H        GLY 119  95.343  15.768   2.517
    2    HA2  GLY 119           HA2      GLY 119  94.916  18.060   2.772
    3    HA3  GLY 119           HA3      GLY 119  94.687  18.221   1.053

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO 120           HA       PRO 120  98.796  19.902   1.113
    2    HB2  PRO 120           HB2      PRO 120  99.120  21.715   3.140
    3    HB3  PRO 120           HB3      PRO 120  98.173  22.051   1.685
    4    HG2  PRO 120           HG2      PRO 120  97.225  21.189   4.373
    5    HG3  PRO 120           HG3      PRO 120  96.554  22.403   3.293
    6    HD2  PRO 120           HD2      PRO 120  95.509  19.924   3.554
    7    HD3  PRO 120           HD3      PRO 120  95.454  20.803   2.010

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ASN 121           H        ASN 121 100.893  19.498   1.789
    2    HA   ASN 121           HA       ASN 121 102.516  18.204   2.796
    3    HB2  ASN 121           HB2      ASN 121 102.381  20.442   4.011
    4    HB3  ASN 121           HB3      ASN 121 101.549  19.576   5.292
    5   HD21  ASN 121          HD21      ASN 121 104.624  20.407   4.140
    6   HD22  ASN 121          HD22      ASN 121 105.506  19.327   5.094

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLU 122           H        GLU 122 100.809  16.313   2.473
    2    HA   GLU 122           HA       GLU 122 100.327  15.052   5.106
    3    HB2  GLU 122           HB2      GLU 122  98.827  13.693   3.094
    4    HB3  GLU 122           HB3      GLU 122  98.208  14.660   4.432
    5    HG2  GLU 122           HG2      GLU 122  97.409  15.550   2.328
    6    HG3  GLU 122           HG3      GLU 122  98.531  16.690   3.068

  No H/Q in entry =           6
  In of MODEL    2
    1    H    THR 123           H        THR 123 101.128  13.191   5.589
    2    HA   THR 123           HA       THR 123 103.000  11.936   3.700
    3    HB   THR 123           HB       THR 123 102.495  11.453   6.640
    4    HG1  THR 123           HG1      THR 123 103.933  12.939   6.946
    5   HG21  THR 123          HG21      THR 123 103.358   9.471   5.410
    6   HG22  THR 123          HG22      THR 123 104.687  10.448   4.827
    7   HG23  THR 123          HG23      THR 123 104.532  10.108   6.549

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU 124           H        LEU 124 102.477  10.120   2.673
    2    HA   LEU 124           HA       LEU 124  99.999   8.697   3.485
    3    HB2  LEU 124           HB2      LEU 124 101.415   8.724   0.807
    4    HB3  LEU 124           HB3      LEU 124  99.943   7.852   1.177
    5    HG   LEU 124           HG       LEU 124  99.116   9.761   0.111
    6   HD11  LEU 124          HD11      LEU 124  98.129   9.522   2.410
    7   HD12  LEU 124          HD12      LEU 124  99.229  10.801   2.903
    8   HD13  LEU 124          HD13      LEU 124  98.013  11.128   1.692
    9   HD21  LEU 124          HD21      LEU 124 101.349  10.878   0.025
   10   HD22  LEU 124          HD22      LEU 124  99.990  11.963   0.254
   11   HD23  LEU 124          HD23      LEU 124 101.006  11.530   1.612

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE 125           H        ILE 125 100.023   6.561   3.830
    2    HA   ILE 125           HA       ILE 125 102.611   5.124   3.673
    3    HB   ILE 125           HB       ILE 125 102.196   5.315   5.997
    4   HD11  ILE 125          HD11      ILE 125 101.948   3.786   7.687
    5   HD12  ILE 125          HD12      ILE 125 100.891   2.401   7.480
    6   HD13  ILE 125          HD13      ILE 125 102.612   2.249   7.179

  No H/Q in entry =           6
  In of MODEL    2
    1    H    PHE 126           H        PHE 126 102.544   3.069   2.861
    2    HA   PHE 126           HA       PHE 126  99.905   2.000   2.142
    3    HB2  PHE 126           HB2      PHE 126 102.185   1.650   0.231
    4    HB3  PHE 126           HB3      PHE 126 100.440   1.579  -0.063
    5    HD1  PHE 126           HD1      PHE 126  99.366   3.443  -0.988
    6    HD2  PHE 126           HD2      PHE 126 103.112   3.929   1.041
    7    HE1  PHE 126           HE1      PHE 126  99.424   5.833  -1.656
    8    HE2  PHE 126           HE2      PHE 126 103.157   6.306   0.379
    9    HZ   PHE 126           HZ       PHE 126 101.334   7.260  -0.957

  No H/Q in entry =           9
  In of MODEL    2
    1    H    LYS 127           H        LYS 127  99.774  -0.239   1.991
    2    HA   LYS 127           HA       LYS 127 101.952  -1.678   3.305
    3    HB2  LYS 127           HB2      LYS 127  99.459  -3.162   2.744
    4    HB3  LYS 127           HB3      LYS 127 100.353  -3.032   4.237
    5    HG2  LYS 127           HG2      LYS 127  98.470  -0.948   3.162
    6    HG3  LYS 127           HG3      LYS 127  98.091  -2.102   4.429
    7    HD2  LYS 127           HD2      LYS 127  99.890  -1.148   5.844
    8    HD3  LYS 127           HD3      LYS 127 100.232   0.042   4.605
    9    HE2  LYS 127           HE2      LYS 127  97.957   0.931   4.787
   10    HE3  LYS 127           HE3      LYS 127  97.566  -0.294   5.993
   11    HZ1  LYS 127           HZ1      LYS 127  99.814   0.827   6.981
   12    HZ2  LYS 127           HZ2      LYS 127  99.036   2.164   6.279
   13    HZ3  LYS 127           HZ3      LYS 127  98.237   1.233   7.454

  No H/Q in entry =          13
  In of MODEL    2
    1    H    ILE 128           H        ILE 128 103.238  -2.913   1.994
    2    HA   ILE 128           HA       ILE 128 102.094  -3.459  -0.707
    3    HB   ILE 128           HB       ILE 128 105.056  -3.163  -0.273
    4   HD11  ILE 128          HD11      ILE 128 105.258  -0.710  -1.994
    5   HD12  ILE 128          HD12      ILE 128 104.916   0.577  -0.848
    6   HD13  ILE 128          HD13      ILE 128 106.032  -0.710  -0.410

  No H/Q in entry =           6
  In of MODEL    2
    1    H    HIS 129           H        HIS 129 101.737  -5.387  -1.163
    2    HA   HIS 129           HA       HIS 129 103.288  -7.584   0.094
    3    HB2  HIS 129           HB2      HIS 129 100.946  -7.722   0.701
    4    HB3  HIS 129           HB3      HIS 129 100.463  -7.506  -0.978
    5    HD2  HIS 129           HD2      HIS 129 103.311 -10.090   0.051
    6    HE1  HIS 129           HE1      HIS 129 100.026 -12.181  -1.607
    7    HE2  HIS 129           HE2      HIS 129 102.428 -12.398  -0.842

  No H/Q in entry =           7
  In of MODEL    2
    1    H    LEU 130           H        LEU 130 104.689  -8.573  -1.270
    2    HA   LEU 130           HA       LEU 130 104.339  -8.101  -4.128
    3    HB2  LEU 130           HB2      LEU 130 106.569  -8.185  -2.473
    4    HB3  LEU 130           HB3      LEU 130 106.644  -9.688  -3.343
    5    HG   LEU 130           HG       LEU 130 106.342  -7.001  -4.638
    6   HD11  LEU 130          HD11      LEU 130 108.578  -7.311  -3.650
    7   HD12  LEU 130          HD12      LEU 130 108.733  -8.832  -4.511
    8   HD13  LEU 130          HD13      LEU 130 108.662  -7.327  -5.410
    9   HD21  LEU 130          HD21      LEU 130 105.319  -8.862  -5.943
   10   HD22  LEU 130          HD22      LEU 130 106.733  -8.219  -6.724
   11   HD23  LEU 130          HD23      LEU 130 106.855  -9.723  -5.845

  No H/Q in entry =          11
  In of MODEL    2
    1    H    ILE 131           H        ILE 131 103.132  -9.458  -5.270
    2    HA   ILE 131           HA       ILE 131 102.963 -12.283  -4.519
    3    HB   ILE 131           HB       ILE 131 101.399 -10.568  -6.467
    4   HD11  ILE 131          HD11      ILE 131 100.394  -9.042  -5.006
    5   HD12  ILE 131          HD12      ILE 131  99.839  -9.501  -3.400
    6   HD13  ILE 131          HD13      ILE 131 101.553  -9.415  -3.734

  No H/Q in entry =           6
  In of MODEL    2
    1    H    SER 132           H        SER 132 103.744 -10.269  -7.386
    2    HA   SER 132           HA       SER 132 105.570 -12.371  -8.302
    3    HB2  SER 132           HB2      SER 132 104.551 -12.782 -10.354
    4    HB3  SER 132           HB3      SER 132 103.163 -12.655  -9.274
    5    HG   SER 132           HG       SER 132 104.222 -10.711 -11.042

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL 133           H        VAL 133 107.029 -11.676  -9.979
    2    HA   VAL 133           HA       VAL 133 107.312  -8.728 -10.213
    3    HB   VAL 133           HB       VAL 133 109.528 -10.749  -9.697

  No H/Q in entry =           3
  In of MODEL    2
    1    H    LYS 134           H        LYS 134 107.915  -7.970 -12.148
    2    HA   LYS 134           HA       LYS 134 108.050  -9.804 -14.416
    3    HB2  LYS 134           HB2      LYS 134 106.612  -7.615 -14.166
    4    HB3  LYS 134           HB3      LYS 134 108.135  -6.850 -14.586
    5    HG2  LYS 134           HG2      LYS 134 107.224  -7.137 -16.708
    6    HG3  LYS 134           HG3      LYS 134 108.157  -8.625 -16.559
    7    HD2  LYS 134           HD2      LYS 134 106.039  -9.672 -15.581
    8    HD3  LYS 134           HD3      LYS 134 105.187  -8.245 -16.166
    9    HE2  LYS 134           HE2      LYS 134 106.460  -8.828 -18.438
   10    HE3  LYS 134           HE3      LYS 134 106.483 -10.446 -17.736
   11    HZ1  LYS 134           HZ1      LYS 134 104.058  -8.766 -18.074
   12    HZ2  LYS 134           HZ2      LYS 134 104.511 -10.043 -19.098
   13    HZ3  LYS 134           HZ3      LYS 134 104.101 -10.358 -17.483

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LYS 135           H        LYS 135 109.368  -7.585 -15.882
    2    HA   LYS 135           HA       LYS 135 111.919  -7.026 -14.890
    3    HB2  LYS 135           HB2      LYS 135 111.684  -9.658 -15.852
    4    HB3  LYS 135           HB3      LYS 135 112.542  -8.796 -17.115
    5    HG2  LYS 135           HG2      LYS 135 113.361  -8.535 -14.225
    6    HG3  LYS 135           HG3      LYS 135 113.905  -9.881 -15.221
    7    HD2  LYS 135           HD2      LYS 135 114.197  -7.119 -16.336
    8    HD3  LYS 135           HD3      LYS 135 115.311  -7.600 -15.064
    9    HE2  LYS 135           HE2      LYS 135 114.810  -9.261 -17.533
   10    HE3  LYS 135           HE3      LYS 135 116.102  -8.067 -17.429
   11    HZ1  LYS 135           HZ1      LYS 135 116.545  -9.385 -15.195
   12    HZ2  LYS 135           HZ2      LYS 135 115.835 -10.642 -16.083
   13    HZ3  LYS 135           HZ3      LYS 135 117.225  -9.865 -16.676

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER 136           H        SER 136 113.120  -5.723 -16.229
    2    HA   SER 136           HA       SER 136 111.851  -3.834 -17.686
    3    HB2  SER 136           HB2      SER 136 113.977  -3.290 -18.734
    4    HB3  SER 136           HB3      SER 136 114.249  -3.764 -17.058
    5    HG   SER 136           HG       SER 136 115.700  -4.916 -18.226

  No H/Q in entry =           5
  In of MODEL    2
    1    H    SER 137           H        SER 137 112.607  -7.054 -18.786
    2    HA   SER 137           HA       SER 137 112.310  -8.105 -20.828
    3    HB2  SER 137           HB2      SER 137 110.073  -7.819 -21.727
    4    HB3  SER 137           HB3      SER 137 109.992  -7.788 -19.968
    5    HG   SER 137           HG       SER 137 109.332  -5.878 -21.762

  No H/Q in entry =           5
  In of MODEL    3
    1    H1   PHE   1           H1       PHE   1  94.363  26.934   3.820
    2    H2   PHE   1           H2       PHE   1  94.496  28.623   3.768
    3    H3   PHE   1           H3       PHE   1  93.551  27.812   2.613
    4    HA   PHE   1           HA       PHE   1  95.297  27.212   1.359
    5    HB2  PHE   1           HB2      PHE   1  95.427  29.682   1.664
    6    HB3  PHE   1           HB3      PHE   1  96.542  29.440   3.006
    7    HD1  PHE   1           HD1      PHE   1  98.805  29.717   2.493
    8    HD2  PHE   1           HD2      PHE   1  96.155  28.211  -0.542
    9    HE1  PHE   1           HE1      PHE   1 100.690  29.620   0.887
   10    HE2  PHE   1           HE2      PHE   1  98.047  28.108  -2.137
   11    HZ   PHE   1           HZ       PHE   1 100.312  28.811  -1.424

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ASN   2           H        ASN   2  97.991  28.177   2.997
    2    HA   ASN   2           HA       ASN   2  98.947  25.512   3.335
    3    HB2  ASN   2           HB2      ASN   2 100.076  28.220   4.000
    4    HB3  ASN   2           HB3      ASN   2 100.917  26.738   4.449
    5   HD21  ASN   2          HD21      ASN   2 102.197  28.412   2.624
    6   HD22  ASN   2          HD22      ASN   2 102.157  27.717   1.075

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS   3           H        LYS   3  97.240  27.680   5.393
    2    HA   LYS   3           HA       LYS   3  98.135  27.125   7.924
    3    HB2  LYS   3           HB2      LYS   3  95.893  27.565   8.729
    4    HB3  LYS   3           HB3      LYS   3  96.190  28.619   7.346
    5    HG2  LYS   3           HG2      LYS   3  95.016  26.977   5.880
    6    HG3  LYS   3           HG3      LYS   3  94.675  25.991   7.293
    7    HD2  LYS   3           HD2      LYS   3  93.408  27.847   8.287
    8    HD3  LYS   3           HD3      LYS   3  93.668  28.793   6.815
    9    HE2  LYS   3           HE2      LYS   3  92.542  27.104   5.490
   10    HE3  LYS   3           HE3      LYS   3  92.420  26.044   6.897
   11    HZ1  LYS   3           HZ1      LYS   3  91.136  28.715   6.639
   12    HZ2  LYS   3           HZ2      LYS   3  90.347  27.225   6.460
   13    HZ3  LYS   3           HZ3      LYS   3  90.997  27.662   7.966

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LYS   4           H        LYS   4  96.054  25.114   5.896
    2    HA   LYS   4           HA       LYS   4  95.579  23.120   7.846
    3    HB2  LYS   4           HB2      LYS   4  94.439  23.688   5.513
    4    HB3  LYS   4           HB3      LYS   4  95.524  22.431   4.936
    5    HG2  LYS   4           HG2      LYS   4  93.527  22.158   7.194
    6    HG3  LYS   4           HG3      LYS   4  93.341  21.496   5.573
    7    HD2  LYS   4           HD2      LYS   4  95.539  20.227   6.024
    8    HD3  LYS   4           HD3      LYS   4  95.301  20.694   7.712
    9    HE2  LYS   4           HE2      LYS   4  92.963  19.725   7.562
   10    HE3  LYS   4           HE3      LYS   4  93.432  19.034   6.010
   11    HZ1  LYS   4           HZ1      LYS   4  95.396  18.079   7.302
   12    HZ2  LYS   4           HZ2      LYS   4  94.495  18.436   8.697
   13    HZ3  LYS   4           HZ3      LYS   4  93.876  17.363   7.533

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ALA   5           H        ALA   5  97.985  23.596   5.370
    2    HA   ALA   5           HA       ALA   5  99.231  21.145   5.175
    3    HB1  ALA   5           HB1      ALA   5 101.047  22.308   4.249
    4    HB2  ALA   5           HB2      ALA   5 100.803  23.703   5.287
    5    HB3  ALA   5           HB3      ALA   5  99.694  23.402   3.961

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP   6           H        ASP   6  99.463  23.562   7.642
    2    HA   ASP   6           HA       ASP   6 101.721  22.571   8.991
    3    HB2  ASP   6           HB2      ASP   6  99.393  24.236   9.850
    4    HB3  ASP   6           HB3      ASP   6 100.709  23.822  10.937

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU   7           H        GLU   7  98.257  21.778   9.229
    2    HA   GLU   7           HA       GLU   7  98.495  20.201  11.576
    3    HB2  GLU   7           HB2      GLU   7  96.479  19.688   9.448
    4    HB3  GLU   7           HB3      GLU   7  96.306  19.487  11.186
    5    HG2  GLU   7           HG2      GLU   7  96.562  21.963  11.418
    6    HG3  GLU   7           HG3      GLU   7  96.507  22.082   9.663

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASN   8           H        ASN   8  98.303  19.302   8.185
    2    HA   ASN   8           HA       ASN   8  98.707  16.518   8.538
    3    HB2  ASN   8           HB2      ASN   8  99.562  18.240   6.208
    4    HB3  ASN   8           HB3      ASN   8  99.310  16.513   6.198
    5   HD21  ASN   8          HD21      ASN   8  97.862  17.841   4.366
    6   HD22  ASN   8          HD22      ASN   8  96.238  17.983   4.829

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS   9           H        LYS   9 100.792  19.247   8.323
    2    HA   LYS   9           HA       LYS   9 103.274  17.928   8.023
    3    HB2  LYS   9           HB2      LYS   9 103.347  20.186   7.517
    4    HB3  LYS   9           HB3      LYS   9 102.294  20.589   8.839
    5    HG2  LYS   9           HG2      LYS   9 104.052  20.418  10.433
    6    HG3  LYS   9           HG3      LYS   9 105.133  19.728   9.225
    7    HD2  LYS   9           HD2      LYS   9 104.940  21.860   7.923
    8    HD3  LYS   9           HD3      LYS   9 103.995  22.530   9.244
    9    HE2  LYS   9           HE2      LYS   9 105.850  22.259  10.790
   10    HE3  LYS   9           HE3      LYS   9 106.807  21.460   9.545
   11    HZ1  LYS   9           HZ1      LYS   9 105.935  23.854   8.462
   12    HZ2  LYS   9           HZ2      LYS   9 106.493  24.219  10.026
   13    HZ3  LYS   9           HZ3      LYS   9 107.517  23.440   8.922

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  10           H        VAL  10 101.636  19.154  10.982
    2    HA   VAL  10           HA       VAL  10 103.705  18.218  12.703
    3    HB   VAL  10           HB       VAL  10 100.872  19.048  13.275

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  11           H        LYS  11 100.505  16.879  11.916
    2    HA   LYS  11           HA       LYS  11 100.740  14.642  13.606
    3    HB2  LYS  11           HB2      LYS  11  99.136  15.135  11.128
    4    HB3  LYS  11           HB3      LYS  11  99.086  13.605  11.972
    5    HG2  LYS  11           HG2      LYS  11  97.281  14.750  12.937
    6    HG3  LYS  11           HG3      LYS  11  98.567  15.046  14.097
    7    HD2  LYS  11           HD2      LYS  11  99.041  17.201  12.879
    8    HD3  LYS  11           HD3      LYS  11  97.578  16.919  11.938
    9    HE2  LYS  11           HE2      LYS  11  97.875  17.509  14.866
   10    HE3  LYS  11           HE3      LYS  11  96.799  18.260  13.691
   11    HZ1  LYS  11           HZ1      LYS  11  96.566  15.436  14.571
   12    HZ2  LYS  11           HZ2      LYS  11  95.686  16.713  15.258
   13    HZ3  LYS  11           HZ3      LYS  11  95.462  16.312  13.623

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLY  12           H        GLY  12 101.746  15.358  10.363
    2    HA2  GLY  12           HA2      GLY  12 103.008  14.171   8.821
    3    HA3  GLY  12           HA3      GLY  12 102.651  12.718   9.727

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  13           H        GLU  13 104.333  15.676  10.817
    2    HA   GLU  13           HA       GLU  13 106.942  14.581  10.661
    3    HB2  GLU  13           HB2      GLU  13 105.752  16.796  12.331
    4    HB3  GLU  13           HB3      GLU  13 107.432  16.303  12.542
    5    HG2  GLU  13           HG2      GLU  13 107.892  16.738  10.193
    6    HG3  GLU  13           HG3      GLU  13 106.210  17.161   9.917

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  14           H        ALA  14 104.375  14.317  12.959
    2    HA   ALA  14           HA       ALA  14 105.932  13.095  15.010
    3    HB1  ALA  14           HB1      ALA  14 103.779  14.416  15.334
    4    HB2  ALA  14           HB2      ALA  14 102.937  12.994  14.719
    5    HB3  ALA  14           HB3      ALA  14 103.889  12.885  16.197

  No H/Q in entry =           5
  In of MODEL    3
    1    H    PHE  15           H        PHE  15 103.886  12.124  12.370
    2    HA   PHE  15           HA       PHE  15 103.544   9.392  12.953
    3    HB2  PHE  15           HB2      PHE  15 102.327  10.830  11.286
    4    HB3  PHE  15           HB3      PHE  15 103.759  10.768  10.276
    5    HD1  PHE  15           HD1      PHE  15 104.211   8.923   8.903
    6    HD2  PHE  15           HD2      PHE  15 101.111   8.701  11.859
    7    HE1  PHE  15           HE1      PHE  15 103.338   6.864   7.841
    8    HE2  PHE  15           HE2      PHE  15 100.269   6.611  10.824
    9    HZ   PHE  15           HZ       PHE  15 101.382   5.711   8.808

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LEU  16           H        LEU  16 105.931  11.028  10.865
    2    HA   LEU  16           HA       LEU  16 107.352   8.615  10.293
    3    HB2  LEU  16           HB2      LEU  16 108.137  11.531  10.079
    4    HB3  LEU  16           HB3      LEU  16 109.246  10.234   9.685
    5    HG   LEU  16           HG       LEU  16 107.250   9.382   8.156
    6   HD11  LEU  16          HD11      LEU  16 106.609  12.300   8.624
    7   HD12  LEU  16          HD12      LEU  16 106.172  11.495   7.122
    8   HD13  LEU  16          HD13      LEU  16 105.518  10.915   8.656
    9   HD21  LEU  16          HD21      LEU  16 109.221  11.590   7.607
   10   HD22  LEU  16          HD22      LEU  16 109.292   9.890   7.162
   11   HD23  LEU  16          HD23      LEU  16 108.168  10.962   6.338

  No H/Q in entry =          11
  In of MODEL    3
    1    H    THR  17           H        THR  17 107.626  11.124  12.708
    2    HA   THR  17           HA       THR  17 110.074  10.314  13.831
    3    HB   THR  17           HB       THR  17 107.727  11.635  15.193
    4    HG1  THR  17           HG1      THR  17 108.389  13.041  13.712
    5   HG21  THR  17          HG21      THR  17 110.608  11.250  15.972
    6   HG22  THR  17          HG22      THR  17 109.546  12.445  16.720
    7   HG23  THR  17          HG23      THR  17 109.170  10.730  16.854

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  18           H        GLU  18 106.744   9.387  14.502
    2    HA   GLU  18           HA       GLU  18 107.426   7.626  16.605
    3    HB2  GLU  18           HB2      GLU  18 105.249   8.749  16.498
    4    HB3  GLU  18           HB3      GLU  18 104.878   7.846  15.035
    5    HG2  GLU  18           HG2      GLU  18 105.023   5.733  16.262
    6    HG3  GLU  18           HG3      GLU  18 105.475   6.599  17.729

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASN  19           H        ASN  19 106.460   7.142  13.215
    2    HA   ASN  19           HA       ASN  19 106.430   4.332  13.312
    3    HB2  ASN  19           HB2      ASN  19 105.475   5.632  11.466
    4    HB3  ASN  19           HB3      ASN  19 107.097   6.081  10.954
    5   HD21  ASN  19          HD21      ASN  19 107.600   4.859   9.175
    6   HD22  ASN  19          HD22      ASN  19 107.301   3.200   9.009

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  20           H        LYS  20 109.128   6.466  12.417
    2    HA   LYS  20           HA       LYS  20 110.886   4.401  11.677
    3    HB2  LYS  20           HB2      LYS  20 112.717   5.947  12.135
    4    HB3  LYS  20           HB3      LYS  20 111.420   6.784  11.293
    5    HG2  LYS  20           HG2      LYS  20 110.564   7.473  13.597
    6    HG3  LYS  20           HG3      LYS  20 112.076   6.852  14.245
    7    HD2  LYS  20           HD2      LYS  20 111.927   8.960  12.070
    8    HD3  LYS  20           HD3      LYS  20 112.126   9.327  13.784
    9    HE2  LYS  20           HE2      LYS  20 114.155   7.712  13.685
   10    HE3  LYS  20           HE3      LYS  20 114.032   7.918  11.940
   11    HZ1  LYS  20           HZ1      LYS  20 114.231  10.165  13.860
   12    HZ2  LYS  20           HZ2      LYS  20 115.554   9.506  13.029
   13    HZ3  LYS  20           HZ3      LYS  20 114.300  10.257  12.165

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ASN  21           H        ASN  21 109.949   5.681  14.777
    2    HA   ASN  21           HA       ASN  21 111.930   4.265  16.298
    3    HB2  ASN  21           HB2      ASN  21 109.484   5.859  16.957
    4    HB3  ASN  21           HB3      ASN  21 110.285   4.920  18.208
    5   HD21  ASN  21          HD21      ASN  21 110.243   7.965  16.791
    6   HD22  ASN  21          HD22      ASN  21 111.801   8.475  17.234

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  22           H        LYS  22 108.628   3.633  15.307
    2    HA   LYS  22           HA       LYS  22 108.054   1.610  17.080
    3    HB2  LYS  22           HB2      LYS  22 107.103   2.221  14.329
    4    HB3  LYS  22           HB3      LYS  22 106.494   0.816  15.177
    5    HG2  LYS  22           HG2      LYS  22 106.195   2.791  17.107
    6    HG3  LYS  22           HG3      LYS  22 105.938   3.704  15.630
    7    HD2  LYS  22           HD2      LYS  22 104.487   1.127  16.283
    8    HD3  LYS  22           HD3      LYS  22 103.841   2.732  16.619
    9    HE2  LYS  22           HE2      LYS  22 103.628   3.258  14.342
   10    HE3  LYS  22           HE3      LYS  22 104.787   2.021  13.854
   11    HZ1  LYS  22           HZ1      LYS  22 103.040   0.442  14.924
   12    HZ2  LYS  22           HZ2      LYS  22 101.971   1.725  14.622
   13    HZ3  LYS  22           HZ3      LYS  22 102.824   1.009  13.337

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  23           HA       PRO  23 110.831  -1.744  16.037
    2    HB2  PRO  23           HB2      PRO  23 108.539  -3.565  16.635
    3    HB3  PRO  23           HB3      PRO  23 110.193  -3.579  17.279
    4    HG2  PRO  23           HG2      PRO  23 108.148  -2.697  18.738
    5    HG3  PRO  23           HG3      PRO  23 109.748  -1.935  18.821
    6    HD2  PRO  23           HD2      PRO  23 107.257  -0.941  17.480
    7    HD3  PRO  23           HD3      PRO  23 108.554  -0.044  18.302

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  24           H        GLY  24 111.307  -3.171  14.447
    2    HA2  GLY  24           HA2      GLY  24 109.384  -4.132  12.530
    3    HA3  GLY  24           HA3      GLY  24 111.117  -4.444  12.515

  No H/Q in entry =           3
  In of MODEL    3
    1    H    VAL  25           H        VAL  25 110.010  -1.193  12.829
    2    HA   VAL  25           HA       VAL  25 109.985  -0.658   9.988
    3    HB   VAL  25           HB       VAL  25 110.076   1.271  12.321

  No H/Q in entry =           3
  In of MODEL    3
    1    H    VAL  26           H        VAL  26 111.653  -0.014   8.810
    2    HA   VAL  26           HA       VAL  26 114.224   0.678  10.160
    3    HB   VAL  26           HB       VAL  26 113.804  -0.590   7.449

  No H/Q in entry =           3
  In of MODEL    3
    1    H    VAL  27           H        VAL  27 114.705   2.793   9.926
    2    HA   VAL  27           HA       VAL  27 113.404   4.286   7.781
    3    HB   VAL  27           HB       VAL  27 113.142   5.241  10.002

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  28           H        LEU  28 114.373   5.560   6.339
    2    HA   LEU  28           HA       LEU  28 117.233   4.941   5.893
    3    HB2  LEU  28           HB2      LEU  28 115.091   5.626   3.876
    4    HB3  LEU  28           HB3      LEU  28 116.752   5.264   3.489
    5    HG   LEU  28           HG       LEU  28 114.893   3.324   4.874
    6   HD11  LEU  28          HD11      LEU  28 114.308   3.970   2.479
    7   HD12  LEU  28          HD12      LEU  28 115.854   3.295   2.005
    8   HD13  LEU  28          HD13      LEU  28 114.629   2.268   2.733
    9   HD21  LEU  28          HD21      LEU  28 117.700   3.151   3.732
   10   HD22  LEU  28          HD22      LEU  28 117.184   2.778   5.376
   11   HD23  LEU  28          HD23      LEU  28 116.713   1.724   4.048

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   PRO  29           HA       PRO  29 118.321   9.169   5.975
    2    HB2  PRO  29           HB2      PRO  29 119.506   9.042   3.256
    3    HB3  PRO  29           HB3      PRO  29 120.275   9.484   4.790
    4    HG2  PRO  29           HG2      PRO  29 120.774   7.147   3.656
    5    HG3  PRO  29           HG3      PRO  29 120.584   7.269   5.418
    6    HD2  PRO  29           HD2      PRO  29 118.618   6.329   3.369
    7    HD3  PRO  29           HD3      PRO  29 119.006   5.617   4.945

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  30           H        SER  30 116.786   8.023   3.050
    2    HA   SER  30           HA       SER  30 116.011  10.548   2.005
    3    HB2  SER  30           HB2      SER  30 114.537   7.947   1.575
    4    HB3  SER  30           HB3      SER  30 114.665   9.323   0.479
    5    HG   SER  30           HG       SER  30 116.359   7.220   0.874

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  31           H        GLY  31 114.964   8.690   4.634
    2    HA2  GLY  31           HA2      GLY  31 112.687  10.490   5.085
    3    HA3  GLY  31           HA3      GLY  31 113.472   9.485   6.297

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU  32           H        LEU  32 113.188   7.663   3.566
    2    HA   LEU  32           HA       LEU  32 110.438   6.880   3.842
    3    HB2  LEU  32           HB2      LEU  32 111.623   6.788   1.656
    4    HB3  LEU  32           HB3      LEU  32 112.690   5.568   2.298
    5    HG   LEU  32           HG       LEU  32 110.700   4.826   0.805
    6   HD11  LEU  32          HD11      LEU  32 112.133   3.314   2.151
    7   HD12  LEU  32          HD12      LEU  32 110.964   3.429   3.453
    8   HD13  LEU  32          HD13      LEU  32 110.495   2.730   1.915
    9   HD21  LEU  32          HD21      LEU  32 109.055   6.186   2.076
   10   HD22  LEU  32          HD22      LEU  32 108.574   4.516   1.858
   11   HD23  LEU  32          HD23      LEU  32 109.181   5.055   3.408

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLN  33           H        GLN  33 109.663   5.215   5.058
    2    HA   GLN  33           HA       GLN  33 111.613   3.541   6.528
    3    HB2  GLN  33           HB2      GLN  33 108.988   4.704   7.460
    4    HB3  GLN  33           HB3      GLN  33 109.966   3.582   8.365
    5    HG2  GLN  33           HG2      GLN  33 110.959   5.426   9.241
    6    HG3  GLN  33           HG3      GLN  33 111.787   5.513   7.714
    7   HE21  GLN  33          HE21      GLN  33 111.407   7.829   9.148
    8   HE22  GLN  33          HE22      GLN  33 110.316   8.788   8.286

  No H/Q in entry =           8
  In of MODEL    3
    1    H    TYR  34           H        TYR  34 111.166   1.375   6.753
    2    HA   TYR  34           HA       TYR  34 108.593   0.408   5.764
    3    HB2  TYR  34           HB2      TYR  34 109.623  -1.269   4.338
    4    HB3  TYR  34           HB3      TYR  34 110.082   0.347   3.822
    5    HD1  TYR  34           HD1      TYR  34 111.181  -2.583   5.764
    6    HD2  TYR  34           HD2      TYR  34 112.384   1.029   3.814
    7    HE1  TYR  34           HE1      TYR  34 113.560  -3.254   6.018
    8    HE2  TYR  34           HE2      TYR  34 114.767   0.378   4.073
    9    HH   TYR  34           HH       TYR  34 116.103  -1.129   5.644

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS  35           H        LYS  35 107.818  -1.367   6.589
    2    HA   LYS  35           HA       LYS  35 109.398  -2.765   8.646
    3    HB2  LYS  35           HB2      LYS  35 107.586  -1.224   9.499
    4    HB3  LYS  35           HB3      LYS  35 106.431  -2.309   8.805
    5    HG2  LYS  35           HG2      LYS  35 108.076  -3.976  10.186
    6    HG3  LYS  35           HG3      LYS  35 108.108  -2.571  11.182
    7    HD2  LYS  35           HD2      LYS  35 106.363  -4.089  11.967
    8    HD3  LYS  35           HD3      LYS  35 105.668  -2.575  11.391
    9    HE2  LYS  35           HE2      LYS  35 104.758  -3.600   9.529
   10    HE3  LYS  35           HE3      LYS  35 105.969  -4.894   9.533
   11    HZ1  LYS  35           HZ1      LYS  35 104.780  -5.281  11.882
   12    HZ2  LYS  35           HZ2      LYS  35 103.472  -4.665  10.989
   13    HZ3  LYS  35           HZ3      LYS  35 104.291  -6.046  10.446

  No H/Q in entry =          13
  In of MODEL    3
    1    H    VAL  36           H        VAL  36 109.582  -4.819   8.300
    2    HA   VAL  36           HA       VAL  36 108.203  -6.015   6.029
    3    HB   VAL  36           HB       VAL  36 110.508  -6.544   6.235

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ILE  37           H        ILE  37 106.215  -6.798   6.220
    2    HA   ILE  37           HA       ILE  37 105.171  -7.631   8.775
    3    HB   ILE  37           HB       ILE  37 103.830  -8.300   6.158
    4   HD11  ILE  37          HD11      ILE  37 104.074  -5.778   8.633
    5   HD12  ILE  37          HD12      ILE  37 104.925  -4.698   7.537
    6   HD13  ILE  37          HD13      ILE  37 103.200  -4.559   7.759

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASN  38           H        ASN  38 106.178  -9.140   5.792
    2    HA   ASN  38           HA       ASN  38 106.471 -11.709   7.174
    3    HB2  ASN  38           HB2      ASN  38 104.953 -11.254   4.619
    4    HB3  ASN  38           HB3      ASN  38 105.341 -12.822   5.266
    5   HD21  ASN  38          HD21      ASN  38 103.404  -9.904   5.866
    6   HD22  ASN  38          HD22      ASN  38 102.372 -10.607   7.007

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER  39           H        SER  39 108.486 -12.476   6.711
    2    HA   SER  39           HA       SER  39 110.014 -11.277   4.558
    3    HB2  SER  39           HB2      SER  39 111.878 -12.280   5.489
    4    HB3  SER  39           HB3      SER  39 110.862 -12.030   6.905
    5    HG   SER  39           HG       SER  39 110.629 -14.405   5.418

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  40           H        GLY  40 110.295 -12.081   2.582
    2    HA2  GLY  40           HA2      GLY  40 109.215 -13.489   0.888
    3    HA3  GLY  40           HA3      GLY  40 109.396 -14.836   2.004

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASN  41           H        ASN  41 111.753 -12.312   1.400
    2    HA   ASN  41           HA       ASN  41 113.891 -12.348   0.579
    3    HB2  ASN  41           HB2      ASN  41 113.776 -15.269   1.314
    4    HB3  ASN  41           HB3      ASN  41 115.221 -14.274   1.143
    5   HD21  ASN  41          HD21      ASN  41 112.953 -12.234   2.468
    6   HD22  ASN  41          HD22      ASN  41 113.299 -12.475   4.114

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  42           H        GLY  42 111.670 -12.881  -1.270
    2    HA2  GLY  42           HA2      GLY  42 111.236 -13.940  -3.319
    3    HA3  GLY  42           HA3      GLY  42 112.781 -14.766  -3.204

  No H/Q in entry =           3
  In of MODEL    3
    1    H    VAL  43           H        VAL  43 111.874 -13.606  -5.477
    2    HA   VAL  43           HA       VAL  43 114.015 -11.889  -6.210
    3    HB   VAL  43           HB       VAL  43 112.990 -11.861  -8.406

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  44           H        LYS  44 113.178  -9.917  -7.656
    2    HA   LYS  44           HA       LYS  44 111.027  -8.375  -6.925
    3    HB2  LYS  44           HB2      LYS  44 111.765  -6.788  -5.310
    4    HB3  LYS  44           HB3      LYS  44 112.091  -8.352  -4.642
    5    HG2  LYS  44           HG2      LYS  44 114.306  -7.023  -6.172
    6    HG3  LYS  44           HG3      LYS  44 113.906  -6.394  -4.591
    7    HD2  LYS  44           HD2      LYS  44 114.212  -9.362  -4.807
    8    HD3  LYS  44           HD3      LYS  44 115.681  -8.398  -4.914
    9    HE2  LYS  44           HE2      LYS  44 115.386  -7.519  -2.731
   10    HE3  LYS  44           HE3      LYS  44 113.686  -7.962  -2.682
   11    HZ1  LYS  44           HZ1      LYS  44 115.487 -10.165  -3.137
   12    HZ2  LYS  44           HZ2      LYS  44 115.693  -9.406  -1.631
   13    HZ3  LYS  44           HZ3      LYS  44 114.181 -10.027  -2.065

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  45           HA       PRO  45 112.778  -6.162 -10.274
    2    HB2  PRO  45           HB2      PRO  45 111.102  -4.037 -10.396
    3    HB3  PRO  45           HB3      PRO  45 110.586  -5.686 -10.731
    4    HG2  PRO  45           HG2      PRO  45 110.045  -3.976  -8.388
    5    HG3  PRO  45           HG3      PRO  45 109.144  -5.345  -9.033
    6    HD2  PRO  45           HD2      PRO  45 110.942  -5.363  -6.814
    7    HD3  PRO  45           HD3      PRO  45 110.030  -6.730  -7.510

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  46           H        GLY  46 113.837  -4.372 -11.117
    2    HA2  GLY  46           HA2      GLY  46 115.642  -2.870 -10.871
    3    HA3  GLY  46           HA3      GLY  46 115.245  -2.709  -9.162

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  47           H        LYS  47 115.581  -0.413 -10.057
    2    HA   LYS  47           HA       LYS  47 113.215   0.971  -9.866
    3    HB2  LYS  47           HB2      LYS  47 114.404   2.935 -10.632
    4    HB3  LYS  47           HB3      LYS  47 115.436   2.012  -9.551
    5    HG2  LYS  47           HG2      LYS  47 115.559   1.652 -12.564
    6    HG3  LYS  47           HG3      LYS  47 116.468   2.911 -11.751
    7    HD2  LYS  47           HD2      LYS  47 118.107   1.399 -11.342
    8    HD3  LYS  47           HD3      LYS  47 117.024   0.549 -10.261
    9    HE2  LYS  47           HE2      LYS  47 117.999  -0.905 -12.001
   10    HE3  LYS  47           HE3      LYS  47 116.244  -0.845 -12.107
   11    HZ1  LYS  47           HZ1      LYS  47 118.145   0.741 -13.753
   12    HZ2  LYS  47           HZ2      LYS  47 117.278  -0.619 -14.278
   13    HZ3  LYS  47           HZ3      LYS  47 116.451   0.806 -13.866

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  48           H        SER  48 114.562  -0.613 -12.577
    2    HA   SER  48           HA       SER  48 112.688   0.795 -14.394
    3    HB2  SER  48           HB2      SER  48 115.228  -0.743 -14.874
    4    HB3  SER  48           HB3      SER  48 114.153  -0.252 -16.184
    5    HG   SER  48           HG       SER  48 114.762   1.758 -15.914

  No H/Q in entry =           5
  In of MODEL    3
    1    H    ASP  49           H        ASP  49 112.951  -2.193 -12.754
    2    HA   ASP  49           HA       ASP  49 111.617  -3.728 -14.890
    3    HB2  ASP  49           HB2      ASP  49 112.388  -4.425 -12.082
    4    HB3  ASP  49           HB3      ASP  49 111.515  -5.513 -13.132

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR  50           H        THR  50 109.493  -4.827 -14.329
    2    HA   THR  50           HA       THR  50 107.765  -2.867 -12.954
    3    HB   THR  50           HB       THR  50 106.813  -4.947 -14.891
    4    HG1  THR  50           HG1      THR  50 108.308  -2.816 -15.380
    5   HG21  THR  50          HG21      THR  50 105.657  -2.411 -13.781
    6   HG22  THR  50          HG22      THR  50 104.968  -3.292 -15.140
    7   HG23  THR  50          HG23      THR  50 105.068  -4.068 -13.560

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  51           H        VAL  51 106.149  -3.527 -11.550
    2    HA   VAL  51           HA       VAL  51 106.624  -6.190 -10.346
    3    HB   VAL  51           HB       VAL  51 107.585  -4.131  -9.190

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  52           H        THR  52 104.895  -6.978  -8.936
    2    HA   THR  52           HA       THR  52 102.192  -5.948  -9.657
    3    HB   THR  52           HB       THR  52 103.081  -8.837  -9.567
    4    HG1  THR  52           HG1      THR  52 102.090  -7.311 -11.727
    5   HG21  THR  52          HG21      THR  52 100.406  -7.516  -9.814
    6   HG22  THR  52          HG22      THR  52 100.702  -9.089 -10.548
    7   HG23  THR  52          HG23      THR  52 100.889  -8.895  -8.820

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  53           H        VAL  53 101.180  -5.376  -7.763
    2    HA   VAL  53           HA       VAL  53 101.624  -7.032  -5.340
    3    HB   VAL  53           HB       VAL  53 102.212  -5.060  -4.052

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLU  54           H        GLU  54 100.243  -6.426  -3.494
    2    HA   GLU  54           HA       GLU  54  97.712  -5.029  -4.260
    3    HB2  GLU  54           HB2      GLU  54  97.764  -7.058  -2.015
    4    HB3  GLU  54           HB3      GLU  54  96.412  -6.415  -2.919
    5    HG2  GLU  54           HG2      GLU  54  96.635  -7.870  -4.634
    6    HG3  GLU  54           HG3      GLU  54  98.355  -8.008  -4.492

  No H/Q in entry =           6
  In of MODEL    3
    1    H    TYR  55           H        TYR  55  96.933  -3.520  -2.566
    2    HA   TYR  55           HA       TYR  55  98.549  -3.305  -0.153
    3    HB2  TYR  55           HB2      TYR  55  99.356  -1.029  -0.819
    4    HB3  TYR  55           HB3      TYR  55 100.010  -2.342  -1.806
    5    HD1  TYR  55           HD1      TYR  55  97.465   0.342  -1.693
    6    HD2  TYR  55           HD2      TYR  55  99.373  -2.616  -4.123
    7    HE1  TYR  55           HE1      TYR  55  96.347   1.286  -3.684
    8    HE2  TYR  55           HE2      TYR  55  98.271  -1.666  -6.119
    9    HH   TYR  55           HH       TYR  55  95.700   0.137  -6.133

  No H/Q in entry =           9
  In of MODEL    3
    1    H    THR  56           H        THR  56  97.987  -1.521   1.252
    2    HA   THR  56           HA       THR  56  95.411  -0.250   0.689
    3    HB   THR  56           HB       THR  56  96.186  -1.592   3.220
    4    HG1  THR  56           HG1      THR  56  94.313  -2.558   2.928
    5   HG21  THR  56          HG21      THR  56  94.307   0.755   2.915
    6   HG22  THR  56          HG22      THR  56  94.286  -0.330   4.303
    7   HG23  THR  56          HG23      THR  56  95.709   0.655   3.974

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  57           H        GLY  57  95.350   1.932   0.893
    2    HA2  GLY  57           HA2      GLY  57  96.949   3.814   0.598
    3    HA3  GLY  57           HA3      GLY  57  97.825   3.191   1.987

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ARG  58           H        ARG  58  97.632   4.784   3.506
    2    HA   ARG  58           HA       ARG  58  95.075   6.104   3.840
    3    HB2  ARG  58           HB2      ARG  58  94.592   5.405   5.984
    4    HB3  ARG  58           HB3      ARG  58  95.151   3.930   5.209
    5    HG2  ARG  58           HG2      ARG  58  97.292   4.037   6.281
    6    HG3  ARG  58           HG3      ARG  58  97.030   5.682   6.840
    7    HD2  ARG  58           HD2      ARG  58  96.585   4.453   8.758
    8    HD3  ARG  58           HD3      ARG  58  94.989   4.696   8.091
    9    HE   ARG  58           HE       ARG  58  95.011   2.423   7.270
   10   HH11  ARG  58          HH11      ARG  58  97.664   3.265   9.370
   11   HH12  ARG  58          HH12      ARG  58  97.986   1.627   9.818
   12   HH21  ARG  58          HH21      ARG  58  95.462   0.293   7.863
   13   HH22  ARG  58          HH22      ARG  58  96.749  -0.046   8.971

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  59           H        LEU  59  95.091   7.731   5.553
    2    HA   LEU  59           HA       LEU  59  97.463   9.401   5.341
    3    HB2  LEU  59           HB2      LEU  59  94.637   9.697   6.090
    4    HB3  LEU  59           HB3      LEU  59  95.698  10.739   7.005
    5    HG   LEU  59           HG       LEU  59  96.680  11.398   4.683
    6   HD11  LEU  59          HD11      LEU  59  94.004  10.275   3.874
    7   HD12  LEU  59          HD12      LEU  59  95.046  11.232   2.868
    8   HD13  LEU  59          HD13      LEU  59  95.557   9.639   3.398
    9   HD21  LEU  59          HD21      LEU  59  95.161  12.794   6.206
   10   HD22  LEU  59          HD22      LEU  59  95.172  13.202   4.497
   11   HD23  LEU  59          HD23      LEU  59  93.837  12.288   5.169

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE  60           H        ILE  60  98.293  10.501   7.251
    2    HA   ILE  60           HA       ILE  60  99.208   8.753   9.282
    3    HB   ILE  60           HB       ILE  60 100.169  10.662  10.302
    4   HD11  ILE  60          HD11      ILE  60  97.408  11.931   8.062
    5   HD12  ILE  60          HD12      ILE  60  97.633  13.596   8.541
    6   HD13  ILE  60          HD13      ILE  60  98.845  12.803   7.534

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ASP  61           H        ASP  61  96.465  10.670   8.870
    2    HA   ASP  61           HA       ASP  61  95.614  10.668  11.647
    3    HB2  ASP  61           HB2      ASP  61  95.377  12.646  10.186
    4    HB3  ASP  61           HB3      ASP  61  94.251  11.739   9.173

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLY  62           H        GLY  62  95.526   8.427   9.259
    2    HA2  GLY  62           HA2      GLY  62  93.265   7.061  10.506
    3    HA3  GLY  62           HA3      GLY  62  94.446   6.364   9.429

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  63           H        THR  63  93.404   9.253   8.070
    2    HA   THR  63           HA       THR  63  90.893   8.409   6.989
    3    HB   THR  63           HB       THR  63  92.705  10.429   5.683
    4    HG1  THR  63           HG1      THR  63  91.525  10.461   8.151
    5   HG21  THR  63          HG21      THR  63  90.516   9.596   4.661
    6   HG22  THR  63          HG22      THR  63  89.723  10.425   5.990
    7   HG23  THR  63          HG23      THR  63  90.698  11.341   4.847

  No H/Q in entry =           7
  In of MODEL    3
    1    H    VAL  64           H        VAL  64  90.838   6.550   5.877
    2    HA   VAL  64           HA       VAL  64  92.959   5.776   4.096
    3    HB   VAL  64           HB       VAL  64  90.233   4.567   4.515

  No H/Q in entry =           3
  In of MODEL    3
    1    H    PHE  65           H        PHE  65  93.274   6.438   2.160
    2    HA   PHE  65           HA       PHE  65  90.978   7.591   0.690
    3    HB2  PHE  65           HB2      PHE  65  92.485   9.030  -0.422
    4    HB3  PHE  65           HB3      PHE  65  92.807   9.113   1.304
    5    HD1  PHE  65           HD1      PHE  65  94.701   7.689   2.244
    6    HD2  PHE  65           HD2      PHE  65  94.252   8.545  -1.935
    7    HE1  PHE  65           HE1      PHE  65  97.106   7.192   1.889
    8    HE2  PHE  65           HE2      PHE  65  96.660   8.059  -2.289
    9    HZ   PHE  65           HZ       PHE  65  98.091   7.389  -0.368

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP  66           H        ASP  66  93.147   5.001   0.693
    2    HA   ASP  66           HA       ASP  66  91.960   4.033  -1.740
    3    HB2  ASP  66           HB2      ASP  66  93.885   5.502  -2.510
    4    HB3  ASP  66           HB3      ASP  66  94.959   4.316  -1.780

  No H/Q in entry =           4
  In of MODEL    3
    1    H    SER  67           H        SER  67  92.203   1.846  -2.074
    2    HA   SER  67           HA       SER  67  93.934   0.314  -0.381
    3    HB2  SER  67           HB2      SER  67  92.167  -0.998   0.663
    4    HB3  SER  67           HB3      SER  67  92.050   0.702   1.116
    5    HG   SER  67           HG       SER  67  90.177  -0.754   0.062

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  68           H        THR  68  94.045  -1.944  -0.892
    2    HA   THR  68           HA       THR  68  92.661  -2.854  -3.295
    3    HB   THR  68           HB       THR  68  95.673  -2.580  -3.265
    4    HG1  THR  68           HG1      THR  68  93.603  -1.015  -4.246
    5   HG21  THR  68          HG21      THR  68  93.728  -3.604  -5.340
    6   HG22  THR  68          HG22      THR  68  95.425  -3.269  -5.656
    7   HG23  THR  68          HG23      THR  68  94.982  -4.523  -4.512

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  69           H        GLU  69  95.158  -3.422  -0.858
    2    HA   GLU  69           HA       GLU  69  95.321  -6.218  -1.228
    3    HB2  GLU  69           HB2      GLU  69  96.384  -6.285   0.942
    4    HB3  GLU  69           HB3      GLU  69  97.025  -5.010  -0.071
    5    HG2  GLU  69           HG2      GLU  69  96.756  -3.977   2.001
    6    HG3  GLU  69           HG3      GLU  69  95.390  -3.464   1.031

  No H/Q in entry =           6
  In of MODEL    3
    1    H    LYS  70           H        LYS  70  93.022  -4.197   0.355
    2    HA   LYS  70           HA       LYS  70  91.852  -6.046   2.080
    3    HB2  LYS  70           HB2      LYS  70  90.499  -3.904   0.432
    4    HB3  LYS  70           HB3      LYS  70  89.800  -4.685   1.850
    5    HG2  LYS  70           HG2      LYS  70  92.455  -3.295   1.994
    6    HG3  LYS  70           HG3      LYS  70  90.970  -2.364   2.119
    7    HD2  LYS  70           HD2      LYS  70  91.220  -4.799   3.867
    8    HD3  LYS  70           HD3      LYS  70  92.165  -3.382   4.302
    9    HE2  LYS  70           HE2      LYS  70  89.165  -3.433   3.860
   10    HE3  LYS  70           HE3      LYS  70  89.973  -3.360   5.424
   11    HZ1  LYS  70           HZ1      LYS  70  91.122  -1.330   4.078
   12    HZ2  LYS  70           HZ2      LYS  70  89.535  -1.278   3.479
   13    HZ3  LYS  70           HZ3      LYS  70  89.815  -1.163   5.152

  No H/Q in entry =          13
  In of MODEL    3
    1    H    THR  71           H        THR  71  91.502  -5.383  -1.314
    2    HA   THR  71           HA       THR  71  89.577  -7.463  -1.842
    3    HB   THR  71           HB       THR  71  89.789  -6.817  -4.115
    4    HG1  THR  71           HG1      THR  71  91.486  -5.506  -4.812
    5   HG21  THR  71          HG21      THR  71  88.685  -5.177  -2.613
    6   HG22  THR  71          HG22      THR  71  90.230  -4.345  -2.437
    7   HG23  THR  71          HG23      THR  71  89.435  -4.405  -4.012

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  72           H        GLY  72  93.039  -7.017  -1.901
    2    HA2  GLY  72           HA2      GLY  72  93.495  -9.849  -1.954
    3    HA3  GLY  72           HA3      GLY  72  94.725  -8.599  -1.825

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS  73           H        LYS  73  93.211  -7.382  -4.279
    2    HA   LYS  73           HA       LYS  73  94.160  -9.237  -6.349
    3    HB2  LYS  73           HB2      LYS  73  92.320  -6.884  -6.300
    4    HB3  LYS  73           HB3      LYS  73  93.027  -7.391  -7.837
    5    HG2  LYS  73           HG2      LYS  73  91.898  -9.402  -7.874
    6    HG3  LYS  73           HG3      LYS  73  91.767  -9.504  -6.117
    7    HD2  LYS  73           HD2      LYS  73  90.010  -7.907  -6.056
    8    HD3  LYS  73           HD3      LYS  73  90.298  -7.405  -7.722
    9    HE2  LYS  73           HE2      LYS  73  88.326  -9.085  -7.129
   10    HE3  LYS  73           HE3      LYS  73  89.259  -9.279  -8.613
   11    HZ1  LYS  73           HZ1      LYS  73  90.062 -10.600  -6.091
   12    HZ2  LYS  73           HZ2      LYS  73  88.947 -11.316  -7.157
   13    HZ3  LYS  73           HZ3      LYS  73  90.524 -10.981  -7.683

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  74           HA       PRO  74  97.885  -6.789  -6.426
    2    HB2  PRO  74           HB2      PRO  74  98.572  -8.401  -8.820
    3    HB3  PRO  74           HB3      PRO  74  99.480  -8.140  -7.319
    4    HG2  PRO  74           HG2      PRO  74  98.267 -10.452  -7.804
    5    HG3  PRO  74           HG3      PRO  74  98.311  -9.753  -6.181
    6    HD2  PRO  74           HD2      PRO  74  96.083  -9.741  -8.176
    7    HD3  PRO  74           HD3      PRO  74  96.070 -10.054  -6.433

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  75           H        ALA  75  98.819  -5.196  -7.606
    2    HA   ALA  75           HA       ALA  75  97.489  -4.330 -10.109
    3    HB1  ALA  75           HB1      ALA  75  97.076  -3.001  -7.850
    4    HB2  ALA  75           HB2      ALA  75  97.315  -2.144  -9.371
    5    HB3  ALA  75           HB3      ALA  75  98.652  -2.311  -8.236

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  76           H        THR  76  98.960  -3.317 -11.639
    2    HA   THR  76           HA       THR  76 101.787  -3.971 -11.096
    3    HB   THR  76           HB       THR  76 101.059  -5.186 -12.972
    4    HG1  THR  76           HG1      THR  76 102.702  -3.046 -13.283
    5   HG21  THR  76          HG21      THR  76  99.823  -2.578 -13.884
    6   HG22  THR  76          HG22      THR  76  99.957  -4.004 -14.911
    7   HG23  THR  76          HG23      THR  76  98.973  -4.060 -13.448

  No H/Q in entry =           7
  In of MODEL    3
    1    H    PHE  77           H        PHE  77 103.358  -2.568 -11.177
    2    HA   PHE  77           HA       PHE  77 102.950   0.082 -12.363
    3    HB2  PHE  77           HB2      PHE  77 104.159  -0.212  -9.611
    4    HB3  PHE  77           HB3      PHE  77 103.815   1.268 -10.477
    5    HD1  PHE  77           HD1      PHE  77 102.631  -1.014  -8.089
    6    HD2  PHE  77           HD2      PHE  77 101.317   1.661 -11.172
    7    HE1  PHE  77           HE1      PHE  77 100.356  -0.983  -7.092
    8    HE2  PHE  77           HE2      PHE  77  99.058   1.716 -10.174
    9    HZ   PHE  77           HZ       PHE  77  98.565   0.386  -8.139

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLN  78           H        GLN  78 104.882   1.051 -12.911
    2    HA   GLN  78           HA       GLN  78 107.174  -0.756 -13.060
    3    HB2  GLN  78           HB2      GLN  78 106.594   1.881 -14.376
    4    HB3  GLN  78           HB3      GLN  78 108.159   1.098 -14.460
    5    HG2  GLN  78           HG2      GLN  78 106.966  -0.942 -15.347
    6    HG3  GLN  78           HG3      GLN  78 105.536   0.057 -15.474
    7   HE21  GLN  78          HE21      GLN  78 108.352   1.856 -15.976
    8   HE22  GLN  78          HE22      GLN  78 108.331   1.902 -17.666

  No H/Q in entry =           8
  In of MODEL    3
    1    H    VAL  79           H        VAL  79 108.761  -0.593 -11.620
    2    HA   VAL  79           HA       VAL  79 108.539   0.906  -9.345
    3    HB   VAL  79           HB       VAL  79 111.174   0.113 -10.595

  No H/Q in entry =           3
  In of MODEL    3
    1    H    SER  80           H        SER  80 109.905   1.871 -12.476
    2    HA   SER  80           HA       SER  80 111.224   4.178 -11.456
    3    HB2  SER  80           HB2      SER  80 112.114   3.521 -13.499
    4    HB3  SER  80           HB3      SER  80 110.528   3.175 -14.177
    5    HG   SER  80           HG       SER  80 110.161   5.348 -14.375

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLN  81           H        GLN  81 107.992   3.522 -12.541
    2    HA   GLN  81           HA       GLN  81 107.358   6.407 -12.584
    3    HB2  GLN  81           HB2      GLN  81 105.520   4.164 -13.343
    4    HB3  GLN  81           HB3      GLN  81 105.390   5.873 -13.749
    5    HG2  GLN  81           HG2      GLN  81 107.457   3.902 -14.752
    6    HG3  GLN  81           HG3      GLN  81 106.197   4.746 -15.684
    7   HE21  GLN  81          HE21      GLN  81 109.175   4.813 -16.062
    8   HE22  GLN  81          HE22      GLN  81 109.618   6.445 -15.916

  No H/Q in entry =           8
  In of MODEL    3
    1    H    VAL  82           H        VAL  82 107.156   3.817 -10.364
    2    HA   VAL  82           HA       VAL  82 104.611   4.683  -9.256
    3    HB   VAL  82           HB       VAL  82 105.530   2.301  -9.218

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ILE  83           H        ILE  83 104.584   5.147  -6.745
    2    HA   ILE  83           HA       ILE  83 105.656   7.660  -6.461
    3    HB   ILE  83           HB       ILE  83 105.364   6.480  -3.810
    4   HD11  ILE  83          HD11      ILE  83 103.144   5.972  -2.857
    5   HD12  ILE  83          HD12      ILE  83 102.026   6.663  -4.036
    6   HD13  ILE  83          HD13      ILE  83 102.069   4.923  -3.765

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   PRO  84           HA       PRO  84 110.038   7.240  -5.717
    2    HB2  PRO  84           HB2      PRO  84 109.660   9.038  -3.352
    3    HB3  PRO  84           HB3      PRO  84 110.810   9.183  -4.694
    4    HG2  PRO  84           HG2      PRO  84 108.659  10.730  -4.553
    5    HG3  PRO  84           HG3      PRO  84 109.240  10.107  -6.095
    6    HD2  PRO  84           HD2      PRO  84 106.897   9.258  -4.515
    7    HD3  PRO  84           HD3      PRO  84 107.105   9.262  -6.264

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  85           H        GLY  85 108.081   7.315  -2.738
    2    HA2  GLY  85           HA2      GLY  85 108.165   5.950  -0.880
    3    HA3  GLY  85           HA3      GLY  85 109.908   5.982  -1.072

  No H/Q in entry =           3
  In of MODEL    3
    1    H    TRP  86           H        TRP  86 107.299   4.801  -3.063
    2    HA   TRP  86           HA       TRP  86 107.609   2.025  -2.592
    3    HB2  TRP  86           HB2      TRP  86 106.259   3.775  -4.604
    4    HB3  TRP  86           HB3      TRP  86 106.415   2.065  -4.976
    5    HD1  TRP  86           HD1      TRP  86 105.165   4.126  -1.899
    6    HE1  TRP  86           HE1      TRP  86 103.061   2.954  -1.018
    7    HE3  TRP  86           HE3      TRP  86 104.995   0.242  -5.099
    8    HZ2  TRP  86           HZ2      TRP  86 101.519   0.621  -1.625
    9    HZ3  TRP  86           HZ3      TRP  86 103.233  -1.446  -4.921
   10    HH2  TRP  86           HH2      TRP  86 101.471  -1.267  -3.196

  No H/Q in entry =          10
  In of MODEL    3
    1    H    THR  87           H        THR  87 109.054   4.250  -4.939
    2    HA   THR  87           HA       THR  87 110.073   2.518  -6.803
    3    HB   THR  87           HB       THR  87 111.539   4.887  -5.654
    4    HG1  THR  87           HG1      THR  87 110.332   6.090  -7.097
    5   HG21  THR  87          HG21      THR  87 112.714   3.354  -7.333
    6   HG22  THR  87          HG22      THR  87 111.522   3.912  -8.491
    7   HG23  THR  87          HG23      THR  87 112.601   5.055  -7.751

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLU  88           H        GLU  88 111.737   3.623  -3.861
    2    HA   GLU  88           HA       GLU  88 113.921   1.827  -4.208
    3    HB2  GLU  88           HB2      GLU  88 114.122   3.966  -3.011
    4    HB3  GLU  88           HB3      GLU  88 113.057   3.350  -1.748
    5    HG2  GLU  88           HG2      GLU  88 114.641   1.590  -1.196
    6    HG3  GLU  88           HG3      GLU  88 115.676   2.047  -2.548

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ALA  89           H        ALA  89 111.062   1.772  -2.104
    2    HA   ALA  89           HA       ALA  89 111.737  -0.406  -0.516
    3    HB1  ALA  89           HB1      ALA  89 109.043   0.546  -1.461
    4    HB2  ALA  89           HB2      ALA  89 109.865   0.956   0.043
    5    HB3  ALA  89           HB3      ALA  89 109.279  -0.681  -0.223

  No H/Q in entry =           5
  In of MODEL    3
    1    H    LEU  90           H        LEU  90 109.949  -0.509  -3.636
    2    HA   LEU  90           HA       LEU  90 109.338  -3.246  -3.588
    3    HB2  LEU  90           HB2      LEU  90 110.032  -1.503  -5.964
    4    HB3  LEU  90           HB3      LEU  90 109.227  -3.055  -6.051
    5    HG   LEU  90           HG       LEU  90 108.117  -0.792  -4.398
    6   HD11  LEU  90          HD11      LEU  90 107.767  -1.371  -7.326
    7   HD12  LEU  90          HD12      LEU  90 106.641  -0.390  -6.428
    8   HD13  LEU  90          HD13      LEU  90 108.317   0.122  -6.593
    9   HD21  LEU  90          HD21      LEU  90 107.029  -3.333  -5.562
   10   HD22  LEU  90          HD22      LEU  90 107.071  -2.854  -3.881
   11   HD23  LEU  90          HD23      LEU  90 105.980  -2.055  -5.013

  No H/Q in entry =          11
  In of MODEL    3
    1    H    GLN  91           H        GLN  91 112.163  -1.506  -4.716
    2    HA   GLN  91           HA       GLN  91 113.557  -3.643  -5.859
    3    HB2  GLN  91           HB2      GLN  91 114.623  -1.129  -4.582
    4    HB3  GLN  91           HB3      GLN  91 115.500  -2.166  -5.701
    5    HG2  GLN  91           HG2      GLN  91 113.969  -1.667  -7.487
    6    HG3  GLN  91           HG3      GLN  91 112.868  -0.841  -6.386
    7   HE21  GLN  91          HE21      GLN  91 113.116   1.180  -7.657
    8   HE22  GLN  91          HE22      GLN  91 114.529   2.106  -7.527

  No H/Q in entry =           8
  In of MODEL    3
    1    H    LEU  92           H        LEU  92 113.090  -2.646  -2.568
    2    HA   LEU  92           HA       LEU  92 115.263  -4.418  -1.610
    3    HB2  LEU  92           HB2      LEU  92 113.620  -2.384  -0.094
    4    HB3  LEU  92           HB3      LEU  92 115.002  -3.284   0.528
    5    HG   LEU  92           HG       LEU  92 115.107  -1.347  -1.789
    6   HD11  LEU  92          HD11      LEU  92 116.032  -1.074   1.050
    7   HD12  LEU  92          HD12      LEU  92 116.309   0.093  -0.244
    8   HD13  LEU  92          HD13      LEU  92 114.671  -0.232   0.314
    9   HD21  LEU  92          HD21      LEU  92 117.149  -3.052  -0.414
   10   HD22  LEU  92          HD22      LEU  92 116.858  -2.876  -2.143
   11   HD23  LEU  92          HD23      LEU  92 117.610  -1.570  -1.243

  No H/Q in entry =          11
  In of MODEL    3
    1    H    MET  93           H        MET  93 111.927  -4.384  -2.076
    2    HA   MET  93           HA       MET  93 111.353  -6.150   0.181
    3    HB2  MET  93           HB2      MET  93 109.705  -4.494  -0.294
    4    HB3  MET  93           HB3      MET  93 109.619  -4.994  -1.982
    5    HG2  MET  93           HG2      MET  93 108.603  -7.069  -1.423
    6    HG3  MET  93           HG3      MET  93 109.041  -6.914   0.275
    7    HE1  MET  93           HE1      MET  93 107.476  -5.425  -2.646
    8    HE2  MET  93           HE2      MET  93 105.802  -5.765  -2.250
    9    HE3  MET  93           HE3      MET  93 106.437  -4.136  -2.049

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   PRO  94           HA       PRO  94 112.278  -9.618  -2.720
    2    HB2  PRO  94           HB2      PRO  94 111.812 -11.282  -0.339
    3    HB3  PRO  94           HB3      PRO  94 113.239 -11.204  -1.379
    4    HG2  PRO  94           HG2      PRO  94 113.262 -10.214   1.095
    5    HG3  PRO  94           HG3      PRO  94 114.123  -9.409  -0.231
    6    HD2  PRO  94           HD2      PRO  94 111.466  -8.726   0.964
    7    HD3  PRO  94           HD3      PRO  94 112.806  -7.676   0.527

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  95           H        ALA  95 111.042 -11.121  -3.778
    2    HA   ALA  95           HA       ALA  95 108.259 -10.792  -3.664
    3    HB1  ALA  95           HB1      ALA  95 109.915 -12.867  -5.050
    4    HB2  ALA  95           HB2      ALA  95 108.159 -12.731  -5.222
    5    HB3  ALA  95           HB3      ALA  95 109.198 -11.408  -5.744

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  96           H        GLY  96 106.647 -11.810  -2.779
    2    HA2  GLY  96           HA2      GLY  96 107.110 -14.300  -1.308
    3    HA3  GLY  96           HA3      GLY  96 105.555 -13.558  -1.687

  No H/Q in entry =           3
  In of MODEL    3
    1    H    SER  97           H        SER  97 108.037 -11.436  -0.620
    2    HA   SER  97           HA       SER  97 107.274 -11.597   2.186
    3    HB2  SER  97           HB2      SER  97 109.168 -10.316   2.607
    4    HB3  SER  97           HB3      SER  97 109.648 -11.119   1.114
    5    HG   SER  97           HG       SER  97 108.712  -9.228   0.043

  No H/Q in entry =           5
  In of MODEL    3
    1    H    THR  98           H        THR  98 105.967 -10.218   3.226
    2    HA   THR  98           HA       THR  98 104.690  -8.076   1.643
    3    HB   THR  98           HB       THR  98 103.673  -9.440   4.137
    4    HG1  THR  98           HG1      THR  98 102.922 -10.875   2.822
    5   HG21  THR  98          HG21      THR  98 102.490  -7.428   2.216
    6   HG22  THR  98          HG22      THR  98 101.561  -8.323   3.417
    7   HG23  THR  98          HG23      THR  98 102.823  -7.208   3.930

  No H/Q in entry =           7
  In of MODEL    3
    1    H    TRP  99           H        TRP  99 105.466  -6.130   2.041
    2    HA   TRP  99           HA       TRP  99 106.408  -5.482   4.780
    3    HB2  TRP  99           HB2      TRP  99 107.207  -4.331   2.109
    4    HB3  TRP  99           HB3      TRP  99 107.679  -3.630   3.645
    5    HD1  TRP  99           HD1      TRP  99 107.745  -7.357   3.807
    6    HE1  TRP  99           HE1      TRP  99 110.138  -8.212   3.654
    7    HE3  TRP  99           HE3      TRP  99 110.034  -3.035   2.392
    8    HZ2  TRP  99           HZ2      TRP  99 112.745  -7.168   3.014
    9    HZ3  TRP  99           HZ3      TRP  99 112.489  -2.990   2.028
   10    HH2  TRP  99           HH2      TRP  99 113.847  -5.046   2.340

  No H/Q in entry =          10
  In of MODEL    3
    1    H    GLU 100           H        GLU 100 106.213  -3.249   5.392
    2    HA   GLU 100           HA       GLU 100 103.928  -1.798   4.219
    3    HB2  GLU 100           HB2      GLU 100 104.461  -2.478   7.094
    4    HB3  GLU 100           HB3      GLU 100 103.820  -0.876   6.746
    5    HG2  GLU 100           HG2      GLU 100 101.955  -1.872   5.525
    6    HG3  GLU 100           HG3      GLU 100 102.572  -3.485   5.841

  No H/Q in entry =           6
  In of MODEL    3
    1    H    ILE 101           H        ILE 101 104.533   0.233   3.581
    2    HA   ILE 101           HA       ILE 101 106.980   1.318   4.744
    3    HB   ILE 101           HB       ILE 101 107.897   1.924   2.732
    4   HD11  ILE 101          HD11      ILE 101 107.913   2.683   0.492
    5   HD12  ILE 101          HD12      ILE 101 107.240   1.149  -0.053
    6   HD13  ILE 101          HD13      ILE 101 106.462   2.655  -0.498

  No H/Q in entry =           6
  In of MODEL    3
    1    H    TYR 102           H        TYR 102 107.055   3.326   5.305
    2    HA   TYR 102           HA       TYR 102 104.537   4.872   5.173
    3    HB2  TYR 102           HB2      TYR 102 106.864   5.157   7.086
    4    HB3  TYR 102           HB3      TYR 102 105.312   5.935   7.226
    5    HD1  TYR 102           HD1      TYR 102 106.367   2.330   6.627
    6    HD2  TYR 102           HD2      TYR 102 104.110   5.055   9.045
    7    HE1  TYR 102           HE1      TYR 102 105.523   0.452   7.910
    8    HE2  TYR 102           HE2      TYR 102 103.262   3.148  10.370
    9    HH   TYR 102           HH       TYR 102 103.028   0.331   9.594

  No H/Q in entry =           9
  In of MODEL    3
    1    H    VAL 103           H        VAL 103 104.756   6.080   3.400
    2    HA   VAL 103           HA       VAL 103 107.289   7.073   2.564
    3    HB   VAL 103           HB       VAL 103 104.679   7.595   1.243

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO 104           HA       PRO 104 106.790  11.134   4.507
    2    HB2  PRO 104           HB2      PRO 104 108.970  11.701   2.530
    3    HB3  PRO 104           HB3      PRO 104 108.907  12.076   4.264
    4    HG2  PRO 104           HG2      PRO 104 110.408  10.066   3.284
    5    HG3  PRO 104           HG3      PRO 104 109.654   9.983   4.871
    6    HD2  PRO 104           HD2      PRO 104 108.943   8.555   2.394
    7    HD3  PRO 104           HD3      PRO 104 108.619   8.119   4.087

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER 105           H        SER 105 105.672  12.942   3.766
    2    HA   SER 105           HA       SER 105 104.113  12.787   1.520
    3    HB2  SER 105           HB2      SER 105 103.563  15.091   1.847
    4    HB3  SER 105           HB3      SER 105 103.849  14.397   3.439
    5    HG   SER 105           HG       SER 105 104.984  16.495   2.492

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY 106           H        GLY 106 107.374  14.077   1.800
    2    HA2  GLY 106           HA2      GLY 106 108.863  14.836   0.203
    3    HA3  GLY 106           HA3      GLY 106 107.473  15.304  -0.770

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LEU 107           H        LEU 107 108.012  12.051   0.408
    2    HA   LEU 107           HA       LEU 107 108.940  11.166  -2.252
    3    HB2  LEU 107           HB2      LEU 107 108.778   9.647   0.369
    4    HB3  LEU 107           HB3      LEU 107 109.467   9.033  -1.113
    5    HG   LEU 107           HG       LEU 107 110.498  11.352   0.534
    6   HD11  LEU 107          HD11      LEU 107 111.014   9.021   1.315
    7   HD12  LEU 107          HD12      LEU 107 111.812   8.751  -0.231
    8   HD13  LEU 107          HD13      LEU 107 112.441   9.960   0.880
    9   HD21  LEU 107          HD21      LEU 107 111.167  10.441  -2.245
   10   HD22  LEU 107          HD22      LEU 107 110.979  12.081  -1.638
   11   HD23  LEU 107          HD23      LEU 107 112.424  11.156  -1.241

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ALA 108           H        ALA 108 106.022  11.652  -0.827
    2    HA   ALA 108           HA       ALA 108 104.826   9.196  -1.913
    3    HB1  ALA 108           HB1      ALA 108 103.521  11.183  -0.050
    4    HB2  ALA 108           HB2      ALA 108 102.965   9.568  -0.470
    5    HB3  ALA 108           HB3      ALA 108 104.402   9.786   0.499

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR 109           H        TYR 109 102.635  11.747  -1.334
    2    HA   TYR 109           HA       TYR 109 102.275  12.024  -4.219
    3    HB2  TYR 109           HB2      TYR 109 100.407  12.221  -1.880
    4    HB3  TYR 109           HB3      TYR 109  99.990  13.013  -3.407
    5    HD1  TYR 109           HD1      TYR 109 100.506   9.790  -1.756
    6    HD2  TYR 109           HD2      TYR 109  99.852  11.753  -5.486
    7    HE1  TYR 109           HE1      TYR 109 100.143   7.633  -2.799
    8    HE2  TYR 109           HE2      TYR 109  99.479   9.600  -6.567
    9    HH   TYR 109           HH       TYR 109  99.584   6.566  -4.695

  No H/Q in entry =           9
  In of MODEL    3
    1    H    GLY 110           H        GLY 110 103.958  13.710  -2.056
    2    HA2  GLY 110           HA2      GLY 110 103.474  16.209  -3.554
    3    HA3  GLY 110           HA3      GLY 110 104.984  15.746  -2.809

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO 111           HA       PRO 111 104.005  18.119   0.763
    2    HB2  PRO 111           HB2      PRO 111 104.843  20.589   0.085
    3    HB3  PRO 111           HB3      PRO 111 105.976  19.241   0.270
    4    HG2  PRO 111           HG2      PRO 111 104.793  20.354  -2.236
    5    HG3  PRO 111           HG3      PRO 111 106.480  19.927  -1.889
    6    HD2  PRO 111           HD2      PRO 111 104.809  18.269  -3.247
    7    HD3  PRO 111           HD3      PRO 111 106.095  17.654  -2.199

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ARG 112           H        ARG 112 102.601  18.840  -2.244
    2    HA   ARG 112           HA       ARG 112 100.652  20.792  -1.234
    3    HB2  ARG 112           HB2      ARG 112 101.919  20.994  -3.452
    4    HB3  ARG 112           HB3      ARG 112 100.941  19.646  -4.021
    5    HG2  ARG 112           HG2      ARG 112  98.882  20.974  -3.507
    6    HG3  ARG 112           HG3      ARG 112  99.912  22.335  -3.068
    7    HD2  ARG 112           HD2      ARG 112 100.873  22.358  -5.321
    8    HD3  ARG 112           HD3      ARG 112  99.903  20.954  -5.763
    9    HE   ARG 112           HE       ARG 112  98.387  23.257  -4.825
   10   HH11  ARG 112          HH11      ARG 112  99.773  21.527  -7.480
   11   HH12  ARG 112          HH12      ARG 112  98.723  22.226  -8.666
   12   HH21  ARG 112          HH21      ARG 112  97.008  24.187  -6.378
   13   HH22  ARG 112          HH22      ARG 112  97.144  23.716  -8.039

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER 113           H        SER 113  98.316  20.392  -1.852
    2    HA   SER 113           HA       SER 113  97.528  17.733  -1.097
    3    HB2  SER 113           HB2      SER 113  95.756  19.925  -2.151
    4    HB3  SER 113           HB3      SER 113  95.304  18.557  -1.144
    5    HG   SER 113           HG       SER 113  96.937  20.772  -0.460

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL 114           H        VAL 114  98.277  16.365  -2.713
    2    HA   VAL 114           HA       VAL 114  97.181  16.794  -5.428
    3    HB   VAL 114           HB       VAL 114  99.304  14.769  -4.742

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLY 115           H        GLY 115  95.151  15.959  -4.041
    2    HA2  GLY 115           HA2      GLY 115  95.029  13.151  -3.551
    3    HA3  GLY 115           HA3      GLY 115  94.376  13.537  -5.136

  No H/Q in entry =           3
  In of MODEL    3
    1    H    GLY 116           H        GLY 116  92.564  12.439  -3.752
    2    HA2  GLY 116           HA2      GLY 116  90.458  12.611  -2.822
    3    HA3  GLY 116           HA3      GLY 116  90.484  14.273  -3.377

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO 117           HA       PRO 117  90.307  14.363   1.289
    2    HB2  PRO 117           HB2      PRO 117  91.227  12.275   2.759
    3    HB3  PRO 117           HB3      PRO 117  89.607  12.296   2.045
    4    HG2  PRO 117           HG2      PRO 117  92.105  11.127   0.927
    5    HG3  PRO 117           HG3      PRO 117  90.531  10.348   1.133
    6    HD2  PRO 117           HD2      PRO 117  91.211  11.272  -1.228
    7    HD3  PRO 117           HD3      PRO 117  89.577  11.613  -0.610

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ILE 118           H        ILE 118  93.143  13.220  -0.241
    2    HA   ILE 118           HA       ILE 118  95.061  13.809   1.761
    3    HB   ILE 118           HB       ILE 118  95.435  13.927  -1.247
    4   HD11  ILE 118          HD11      ILE 118  93.868  12.318  -1.625
    5   HD12  ILE 118          HD12      ILE 118  95.015  11.110  -2.193
    6   HD13  ILE 118          HD13      ILE 118  93.913  10.727  -0.885

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY 119           H        GLY 119  95.353  15.786   2.578
    2    HA2  GLY 119           HA2      GLY 119  94.943  18.100   2.761
    3    HA3  GLY 119           HA3      GLY 119  94.656  18.191   1.043

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO 120           HA       PRO 120  98.805  19.737   0.860
    2    HB2  PRO 120           HB2      PRO 120  99.259  21.656   2.745
    3    HB3  PRO 120           HB3      PRO 120  98.262  21.932   1.315
    4    HG2  PRO 120           HG2      PRO 120  97.409  21.292   4.093
    5    HG3  PRO 120           HG3      PRO 120  96.716  22.428   2.950
    6    HD2  PRO 120           HD2      PRO 120  95.660  19.977   3.467
    7    HD3  PRO 120           HD3      PRO 120  95.501  20.763   1.879

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ASN 121           H        ASN 121 100.916  19.320   1.467
    2    HA   ASN 121           HA       ASN 121 102.545  18.058   2.498
    3    HB2  ASN 121           HB2      ASN 121 102.449  20.379   3.604
    4    HB3  ASN 121           HB3      ASN 121 101.720  19.546   4.976
    5   HD21  ASN 121          HD21      ASN 121 103.188  17.122   4.957
    6   HD22  ASN 121          HD22      ASN 121 104.819  17.464   5.278

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLU 122           H        GLU 122 100.801  16.196   2.312
    2    HA   GLU 122           HA       GLU 122 100.406  15.063   5.012
    3    HB2  GLU 122           HB2      GLU 122  98.788  13.658   3.135
    4    HB3  GLU 122           HB3      GLU 122  98.250  14.699   4.453
    5    HG2  GLU 122           HG2      GLU 122  97.376  15.534   2.364
    6    HG3  GLU 122           HG3      GLU 122  98.585  16.660   2.969

  No H/Q in entry =           6
  In of MODEL    3
    1    H    THR 123           H        THR 123 101.127  13.183   5.532
    2    HA   THR 123           HA       THR 123 102.959  11.839   3.672
    3    HB   THR 123           HB       THR 123 102.481  11.534   6.637
    4    HG1  THR 123           HG1      THR 123 104.780  12.371   6.434
    5   HG21  THR 123          HG21      THR 123 103.288   9.449   5.479
    6   HG22  THR 123          HG22      THR 123 104.679  10.365   4.951
    7   HG23  THR 123          HG23      THR 123 104.411  10.088   6.668

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU 124           H        LEU 124 102.436   9.974   2.743
    2    HA   LEU 124           HA       LEU 124  99.962   8.580   3.627
    3    HB2  LEU 124           HB2      LEU 124 101.294   8.615   0.900
    4    HB3  LEU 124           HB3      LEU 124  99.869   7.682   1.310
    5    HG   LEU 124           HG       LEU 124  98.955   9.553   0.248
    6   HD11  LEU 124          HD11      LEU 124  98.023   9.267   2.575
    7   HD12  LEU 124          HD12      LEU 124  99.061  10.609   3.041
    8   HD13  LEU 124          HD13      LEU 124  97.809  10.859   1.847
    9   HD21  LEU 124          HD21      LEU 124 101.111  10.780   0.102
   10   HD22  LEU 124          HD22      LEU 124  99.728  11.813   0.433
   11   HD23  LEU 124          HD23      LEU 124 100.823  11.373   1.726

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE 125           H        ILE 125 100.010   6.438   3.994
    2    HA   ILE 125           HA       ILE 125 102.608   5.027   3.811
    3    HB   ILE 125           HB       ILE 125 102.199   5.239   6.143
    4   HD11  ILE 125          HD11      ILE 125 101.841   3.720   7.875
    5   HD12  ILE 125          HD12      ILE 125 100.832   2.313   7.605
    6   HD13  ILE 125          HD13      ILE 125 102.576   2.191   7.447

  No H/Q in entry =           6
  In of MODEL    3
    1    H    PHE 126           H        PHE 126 102.527   2.916   3.066
    2    HA   PHE 126           HA       PHE 126  99.889   1.879   2.338
    3    HB2  PHE 126           HB2      PHE 126 102.143   1.594   0.391
    4    HB3  PHE 126           HB3      PHE 126 100.400   1.461   0.117
    5    HD1  PHE 126           HD1      PHE 126  99.236   3.302  -0.776
    6    HD2  PHE 126           HD2      PHE 126 103.006   3.901   1.184
    7    HE1  PHE 126           HE1      PHE 126  99.214   5.696  -1.454
    8    HE2  PHE 126           HE2      PHE 126 102.969   6.279   0.510
    9    HZ   PHE 126           HZ       PHE 126 101.089   7.167  -0.807

  No H/Q in entry =           9
  In of MODEL    3
    1    H    LYS 127           H        LYS 127  99.732  -0.362   2.128
    2    HA   LYS 127           HA       LYS 127 101.906  -1.862   3.373
    3    HB2  LYS 127           HB2      LYS 127  99.432  -3.368   2.944
    4    HB3  LYS 127           HB3      LYS 127 100.308  -3.094   4.433
    5    HG2  LYS 127           HG2      LYS 127  98.422  -1.103   3.191
    6    HG3  LYS 127           HG3      LYS 127  97.989  -2.223   4.473
    7    HD2  LYS 127           HD2      LYS 127  99.556  -1.235   6.006
    8    HD3  LYS 127           HD3      LYS 127 100.241  -0.215   4.754
    9    HE2  LYS 127           HE2      LYS 127  98.159   1.015   4.544
   10    HE3  LYS 127           HE3      LYS 127  97.351  -0.086   5.657
   11    HZ1  LYS 127           HZ1      LYS 127  99.341   0.646   7.190
   12    HZ2  LYS 127           HZ2      LYS 127  99.297   2.026   6.201
   13    HZ3  LYS 127           HZ3      LYS 127  97.922   1.569   7.083

  No H/Q in entry =          13
  In of MODEL    3
    1    H    ILE 128           H        ILE 128 103.162  -3.021   2.048
    2    HA   ILE 128           HA       ILE 128 102.011  -3.570  -0.642
    3    HB   ILE 128           HB       ILE 128 104.969  -3.328  -0.160
    4   HD11  ILE 128          HD11      ILE 128 105.072  -0.751  -1.888
    5   HD12  ILE 128          HD12      ILE 128 104.802   0.458  -0.644
    6   HD13  ILE 128          HD13      ILE 128 105.959  -0.830  -0.363

  No H/Q in entry =           6
  In of MODEL    3
    1    H    HIS 129           H        HIS 129 101.627  -5.494  -1.128
    2    HA   HIS 129           HA       HIS 129 103.175  -7.737   0.019
    3    HB2  HIS 129           HB2      HIS 129 100.810  -7.866   0.576
    4    HB3  HIS 129           HB3      HIS 129 100.374  -7.605  -1.112
    5    HD2  HIS 129           HD2      HIS 129 103.183 -10.225  -0.054
    6    HE1  HIS 129           HE1      HIS 129  99.949 -12.242  -1.898
    7    HE2  HIS 129           HE2      HIS 129 102.319 -12.503  -1.047

  No H/Q in entry =           7
  In of MODEL    3
    1    H    LEU 130           H        LEU 130 104.541  -8.731  -1.389
    2    HA   LEU 130           HA       LEU 130 104.231  -8.075  -4.223
    3    HB2  LEU 130           HB2      LEU 130 106.460  -8.240  -2.565
    4    HB3  LEU 130           HB3      LEU 130 106.547  -9.673  -3.545
    5    HG   LEU 130           HG       LEU 130 106.228  -6.900  -4.632
    6   HD11  LEU 130          HD11      LEU 130 108.616  -8.739  -4.546
    7   HD12  LEU 130          HD12      LEU 130 108.559  -7.265  -5.493
    8   HD13  LEU 130          HD13      LEU 130 108.468  -7.192  -3.735
    9   HD21  LEU 130          HD21      LEU 130 105.206  -8.644  -6.085
   10   HD22  LEU 130          HD22      LEU 130 106.631  -7.961  -6.803
   11   HD23  LEU 130          HD23      LEU 130 106.729  -9.526  -6.040

  No H/Q in entry =          11
  In of MODEL    3
    1    H    ILE 131           H        ILE 131 103.008  -9.356  -5.416
    2    HA   ILE 131           HA       ILE 131 102.862 -12.222  -4.824
    3    HB   ILE 131           HB       ILE 131 101.287 -10.437  -6.696
    4   HD11  ILE 131          HD11      ILE 131 100.254  -8.959  -5.232
    5   HD12  ILE 131          HD12      ILE 131  99.714  -9.438  -3.627
    6   HD13  ILE 131          HD13      ILE 131 101.427  -9.312  -3.960

  No H/Q in entry =           6
  In of MODEL    3
    1    H    SER 132           H        SER 132 103.716 -10.079  -7.579
    2    HA   SER 132           HA       SER 132 105.497 -12.178  -8.574
    3    HB2  SER 132           HB2      SER 132 104.465 -12.555 -10.622
    4    HB3  SER 132           HB3      SER 132 103.067 -12.386  -9.562
    5    HG   SER 132           HG       SER 132 104.215 -10.477 -11.309

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL 133           H        VAL 133 107.003 -11.431 -10.180
    2    HA   VAL 133           HA       VAL 133 107.250  -8.473 -10.333
    3    HB   VAL 133           HB       VAL 133 109.499 -10.458  -9.847

  No H/Q in entry =           3
  In of MODEL    3
    1    H    LYS 134           H        LYS 134 107.827  -7.644 -12.248
    2    HA   LYS 134           HA       LYS 134 108.013  -9.395 -14.547
    3    HB2  LYS 134           HB2      LYS 134 106.711  -7.115 -14.229
    4    HB3  LYS 134           HB3      LYS 134 108.278  -6.447 -14.683
    5    HG2  LYS 134           HG2      LYS 134 107.313  -6.680 -16.790
    6    HG3  LYS 134           HG3      LYS 134 108.127  -8.239 -16.649
    7    HD2  LYS 134           HD2      LYS 134 106.033  -9.212 -15.747
    8    HD3  LYS 134           HD3      LYS 134 105.222  -7.671 -16.011
    9    HE2  LYS 134           HE2      LYS 134 106.088  -7.910 -18.465
   10    HE3  LYS 134           HE3      LYS 134 106.281  -9.615 -18.051
   11    HZ1  LYS 134           HZ1      LYS 134 103.761  -8.143 -17.565
   12    HZ2  LYS 134           HZ2      LYS 134 104.068  -8.959 -19.023
   13    HZ3  LYS 134           HZ3      LYS 134 104.011  -9.823 -17.564

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LYS 135           H        LYS 135 109.538  -7.439 -16.048
    2    HA   LYS 135           HA       LYS 135 112.057  -6.854 -14.972
    3    HB2  LYS 135           HB2      LYS 135 111.777  -9.598 -15.331
    4    HB3  LYS 135           HB3      LYS 135 112.653  -9.113 -16.765
    5    HG2  LYS 135           HG2      LYS 135 113.428  -8.282 -13.964
    6    HG3  LYS 135           HG3      LYS 135 114.074  -9.697 -14.798
    7    HD2  LYS 135           HD2      LYS 135 114.385  -7.615 -16.648
    8    HD3  LYS 135           HD3      LYS 135 114.765  -6.853 -15.132
    9    HE2  LYS 135           HE2      LYS 135 116.245  -8.864 -14.701
   10    HE3  LYS 135           HE3      LYS 135 116.096  -9.219 -16.412
   11    HZ1  LYS 135           HZ1      LYS 135 116.715  -6.698 -16.598
   12    HZ2  LYS 135           HZ2      LYS 135 117.415  -6.967 -15.074
   13    HZ3  LYS 135           HZ3      LYS 135 117.923  -7.874 -16.417

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER 136           H        SER 136 113.054  -5.504 -16.149
    2    HA   SER 136           HA       SER 136 111.968  -4.536 -18.592
    3    HB2  SER 136           HB2      SER 136 113.122  -2.952 -17.294
    4    HB3  SER 136           HB3      SER 136 114.518  -4.006 -17.085
    5    HG   SER 136           HG       SER 136 115.230  -3.455 -19.013

  No H/Q in entry =           5
  In of MODEL    3
    1    H    SER 137           H        SER 137 114.898  -6.404 -17.879
    2    HA   SER 137           HA       SER 137 114.870  -8.091 -20.047
    3    HB2  SER 137           HB2      SER 137 115.887  -5.371 -20.728
    4    HB3  SER 137           HB3      SER 137 116.775  -6.743 -21.385
    5    HG   SER 137           HG       SER 137 114.023  -6.118 -21.673

  No H/Q in entry =           5
  In of MODEL    4
    1    H1   PHE   1           H1       PHE   1  95.622  26.759   1.044
    2    H2   PHE   1           H2       PHE   1  94.189  27.664   1.127
    3    H3   PHE   1           H3       PHE   1  95.610  28.261   1.836
    4    HA   PHE   1           HA       PHE   1  94.409  27.475   3.631
    5    HB2  PHE   1           HB2      PHE   1  93.744  24.777   3.120
    6    HB3  PHE   1           HB3      PHE   1  92.627  26.134   3.141
    7    HD1  PHE   1           HD1      PHE   1  95.036  24.348   0.890
    8    HD2  PHE   1           HD2      PHE   1  91.468  26.727   1.186
    9    HE1  PHE   1           HE1      PHE   1  94.634  24.054  -1.540
   10    HE2  PHE   1           HE2      PHE   1  91.068  26.431  -1.242
   11    HZ   PHE   1           HZ       PHE   1  92.652  25.095  -2.605

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ASN   2           H        ASN   2  97.117  27.523   2.862
    2    HA   ASN   2           HA       ASN   2  98.472  25.098   3.303
    3    HB2  ASN   2           HB2      ASN   2  99.298  27.975   3.593
    4    HB3  ASN   2           HB3      ASN   2 100.396  26.660   4.025
    5   HD21  ASN   2          HD21      ASN   2  99.776  24.779   2.002
    6   HD22  ASN   2          HD22      ASN   2 100.190  25.431   0.490

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS   3           H        LYS   3  97.212  27.533   5.511
    2    HA   LYS   3           HA       LYS   3  98.504  26.937   7.864
    3    HB2  LYS   3           HB2      LYS   3  96.390  27.572   9.018
    4    HB3  LYS   3           HB3      LYS   3  96.841  28.694   7.738
    5    HG2  LYS   3           HG2      LYS   3  94.828  28.361   6.729
    6    HG3  LYS   3           HG3      LYS   3  95.210  26.659   6.517
    7    HD2  LYS   3           HD2      LYS   3  94.388  26.268   8.874
    8    HD3  LYS   3           HD3      LYS   3  93.835  27.944   8.894
    9    HE2  LYS   3           HE2      LYS   3  92.577  27.362   6.725
   10    HE3  LYS   3           HE3      LYS   3  92.906  25.680   7.138
   11    HZ1  LYS   3           HZ1      LYS   3  91.867  27.258   9.315
   12    HZ2  LYS   3           HZ2      LYS   3  90.787  27.075   8.016
   13    HZ3  LYS   3           HZ3      LYS   3  91.422  25.704   8.789

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LYS   4           H        LYS   4  96.100  25.082   6.151
    2    HA   LYS   4           HA       LYS   4  95.570  23.159   8.184
    3    HB2  LYS   4           HB2      LYS   4  94.337  23.750   5.921
    4    HB3  LYS   4           HB3      LYS   4  95.386  22.503   5.258
    5    HG2  LYS   4           HG2      LYS   4  93.535  22.150   7.629
    6    HG3  LYS   4           HG3      LYS   4  93.181  21.626   5.988
    7    HD2  LYS   4           HD2      LYS   4  95.426  20.303   6.170
    8    HD3  LYS   4           HD3      LYS   4  95.227  20.561   7.902
    9    HE2  LYS   4           HE2      LYS   4  92.838  19.644   7.609
   10    HE3  LYS   4           HE3      LYS   4  93.400  19.052   6.044
   11    HZ1  LYS   4           HZ1      LYS   4  95.334  18.371   7.915
   12    HZ2  LYS   4           HZ2      LYS   4  93.834  17.960   8.603
   13    HZ3  LYS   4           HZ3      LYS   4  94.279  17.331   7.089

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ALA   5           H        ALA   5  97.907  23.536   5.638
    2    HA   ALA   5           HA       ALA   5  99.078  21.053   5.401
    3    HB1  ALA   5           HB1      ALA   5 100.879  22.163   4.401
    4    HB2  ALA   5           HB2      ALA   5 100.759  23.538   5.487
    5    HB3  ALA   5           HB3      ALA   5  99.576  23.332   4.210

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP   6           H        ASP   6  99.525  23.500   7.838
    2    HA   ASP   6           HA       ASP   6 101.785  22.423   9.113
    3    HB2  ASP   6           HB2      ASP   6  99.573  24.239   9.937
    4    HB3  ASP   6           HB3      ASP   6 100.676  23.640  11.159

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU   7           H        GLU   7  98.327  21.702   9.431
    2    HA   GLU   7           HA       GLU   7  98.522  20.075  11.753
    3    HB2  GLU   7           HB2      GLU   7  96.527  19.690   9.576
    4    HB3  GLU   7           HB3      GLU   7  96.318  19.405  11.297
    5    HG2  GLU   7           HG2      GLU   7  96.628  21.853  11.668
    6    HG3  GLU   7           HG3      GLU   7  96.634  22.073   9.924

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASN   8           H        ASN   8  98.322  19.256   8.347
    2    HA   ASN   8           HA       ASN   8  98.646  16.460   8.586
    3    HB2  ASN   8           HB2      ASN   8  99.598  18.254   6.355
    4    HB3  ASN   8           HB3      ASN   8  99.226  16.543   6.241
    5   HD21  ASN   8          HD21      ASN   8  97.795  18.004   4.513
    6   HD22  ASN   8          HD22      ASN   8  96.207  18.241   5.046

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS   9           H        LYS   9 100.821  19.130   8.487
    2    HA   LYS   9           HA       LYS   9 103.278  17.735   8.250
    3    HB2  LYS   9           HB2      LYS   9 103.536  19.974   7.776
    4    HB3  LYS   9           HB3      LYS   9 102.329  20.432   8.938
    5    HG2  LYS   9           HG2      LYS   9 103.871  20.233  10.761
    6    HG3  LYS   9           HG3      LYS   9 105.076  19.506   9.703
    7    HD2  LYS   9           HD2      LYS   9 105.151  21.628   8.403
    8    HD3  LYS   9           HD3      LYS   9 104.021  22.333   9.546
    9    HE2  LYS   9           HE2      LYS   9 106.637  21.120  10.429
   10    HE3  LYS   9           HE3      LYS   9 106.474  22.828  10.014
   11    HZ1  LYS   9           HZ1      LYS   9 104.584  21.601  11.903
   12    HZ2  LYS   9           HZ2      LYS   9 106.132  22.046  12.447
   13    HZ3  LYS   9           HZ3      LYS   9 105.099  23.216  11.791

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  10           H        VAL  10 101.618  19.049  11.151
    2    HA   VAL  10           HA       VAL  10 103.602  18.039  12.910
    3    HB   VAL  10           HB       VAL  10 100.792  18.988  13.409

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  11           H        LYS  11 100.407  16.782  12.016
    2    HA   LYS  11           HA       LYS  11 100.572  14.501  13.669
    3    HB2  LYS  11           HB2      LYS  11  99.005  15.116  11.197
    4    HB3  LYS  11           HB3      LYS  11  98.909  13.563  11.992
    5    HG2  LYS  11           HG2      LYS  11  97.119  14.738  12.971
    6    HG3  LYS  11           HG3      LYS  11  98.399  14.946  14.158
    7    HD2  LYS  11           HD2      LYS  11  98.965  17.124  12.996
    8    HD3  LYS  11           HD3      LYS  11  97.481  16.935  12.069
    9    HE2  LYS  11           HE2      LYS  11  97.818  17.297  15.039
   10    HE3  LYS  11           HE3      LYS  11  96.936  18.324  13.916
   11    HZ1  LYS  11           HZ1      LYS  11  96.186  15.505  14.433
   12    HZ2  LYS  11           HZ2      LYS  11  95.541  16.810  15.309
   13    HZ3  LYS  11           HZ3      LYS  11  95.280  16.696  13.634

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLY  12           H        GLY  12 101.611  15.319  10.461
    2    HA2  GLY  12           HA2      GLY  12 102.893  14.199   8.900
    3    HA3  GLY  12           HA3      GLY  12 102.527  12.711   9.740

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  13           H        GLU  13 104.145  15.602  11.049
    2    HA   GLU  13           HA       GLU  13 106.781  14.558  10.870
    3    HB2  GLU  13           HB2      GLU  13 105.511  16.684  12.594
    4    HB3  GLU  13           HB3      GLU  13 107.183  16.194  12.863
    5    HG2  GLU  13           HG2      GLU  13 107.773  16.773  10.589
    6    HG3  GLU  13           HG3      GLU  13 106.102  17.149  10.204

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  14           H        ALA  14 104.175  14.175  13.112
    2    HA   ALA  14           HA       ALA  14 105.676  12.878  15.158
    3    HB1  ALA  14           HB1      ALA  14 103.508  14.102  15.534
    4    HB2  ALA  14           HB2      ALA  14 102.699  12.793  14.679
    5    HB3  ALA  14           HB3      ALA  14 103.540  12.467  16.192

  No H/Q in entry =           5
  In of MODEL    4
    1    H    PHE  15           H        PHE  15 103.720  12.007  12.427
    2    HA   PHE  15           HA       PHE  15 103.420   9.245  12.837
    3    HB2  PHE  15           HB2      PHE  15 102.212  10.759  11.239
    4    HB3  PHE  15           HB3      PHE  15 103.657  10.772  10.243
    5    HD1  PHE  15           HD1      PHE  15 104.243   8.932   8.876
    6    HD2  PHE  15           HD2      PHE  15 100.918   8.684  11.574
    7    HE1  PHE  15           HE1      PHE  15 103.433   6.914   7.703
    8    HE2  PHE  15           HE2      PHE  15 100.134   6.635  10.420
    9    HZ   PHE  15           HZ       PHE  15 101.397   5.765   8.482

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LEU  16           H        LEU  16 105.848  11.020  10.903
    2    HA   LEU  16           HA       LEU  16 107.323   8.623  10.323
    3    HB2  LEU  16           HB2      LEU  16 108.114  11.540  10.149
    4    HB3  LEU  16           HB3      LEU  16 109.186  10.223   9.711
    5    HG   LEU  16           HG       LEU  16 107.132   9.456   8.206
    6   HD11  LEU  16          HD11      LEU  16 106.601  12.385   8.733
    7   HD12  LEU  16          HD12      LEU  16 106.148  11.652   7.201
    8   HD13  LEU  16          HD13      LEU  16 105.460  11.042   8.711
    9   HD21  LEU  16          HD21      LEU  16 109.154  11.611   7.634
   10   HD22  LEU  16          HD22      LEU  16 109.211   9.900   7.235
   11   HD23  LEU  16          HD23      LEU  16 108.098  10.959   6.384

  No H/Q in entry =          11
  In of MODEL    4
    1    H    THR  17           H        THR  17 107.481  11.108  12.781
    2    HA   THR  17           HA       THR  17 109.933  10.324  13.905
    3    HB   THR  17           HB       THR  17 107.562  11.568  15.290
    4    HG1  THR  17           HG1      THR  17 108.327  13.388  14.549
    5   HG21  THR  17          HG21      THR  17 110.432  11.169  16.088
    6   HG22  THR  17          HG22      THR  17 109.359  12.335  16.867
    7   HG23  THR  17          HG23      THR  17 108.987  10.616  16.937

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  18           H        GLU  18 106.619   9.289  14.542
    2    HA   GLU  18           HA       GLU  18 107.377   7.479  16.581
    3    HB2  GLU  18           HB2      GLU  18 105.160   8.573  16.512
    4    HB3  GLU  18           HB3      GLU  18 104.782   7.608  15.091
    5    HG2  GLU  18           HG2      GLU  18 105.027   5.550  16.337
    6    HG3  GLU  18           HG3      GLU  18 105.599   6.432  17.751

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASN  19           H        ASN  19 106.377   7.080  13.179
    2    HA   ASN  19           HA       ASN  19 106.360   4.275  13.189
    3    HB2  ASN  19           HB2      ASN  19 105.434   5.659  11.372
    4    HB3  ASN  19           HB3      ASN  19 107.072   6.059  10.871
    5   HD21  ASN  19          HD21      ASN  19 107.638   4.812   9.127
    6   HD22  ASN  19          HD22      ASN  19 107.233   3.179   8.919

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  20           H        LYS  20 109.070   6.430  12.403
    2    HA   LYS  20           HA       LYS  20 110.821   4.369  11.599
    3    HB2  LYS  20           HB2      LYS  20 112.652   5.910  12.103
    4    HB3  LYS  20           HB3      LYS  20 111.360   6.759  11.265
    5    HG2  LYS  20           HG2      LYS  20 110.480   7.362  13.618
    6    HG3  LYS  20           HG3      LYS  20 112.046   6.806  14.209
    7    HD2  LYS  20           HD2      LYS  20 111.730   8.925  12.066
    8    HD3  LYS  20           HD3      LYS  20 111.928   9.287  13.778
    9    HE2  LYS  20           HE2      LYS  20 114.055   7.814  13.638
   10    HE3  LYS  20           HE3      LYS  20 113.903   8.034  11.896
   11    HZ1  LYS  20           HZ1      LYS  20 113.696  10.490  12.444
   12    HZ2  LYS  20           HZ2      LYS  20 114.312  10.085  13.974
   13    HZ3  LYS  20           HZ3      LYS  20 115.236   9.793  12.578

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ASN  21           H        ASN  21 109.855   5.560  14.722
    2    HA   ASN  21           HA       ASN  21 111.830   4.085  16.212
    3    HB2  ASN  21           HB2      ASN  21 109.484   5.802  16.886
    4    HB3  ASN  21           HB3      ASN  21 110.136   4.747  18.132
    5   HD21  ASN  21          HD21      ASN  21 110.525   7.805  16.642
    6   HD22  ASN  21          HD22      ASN  21 112.058   8.168  17.272

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  22           H        LYS  22 108.563   3.508  15.119
    2    HA   LYS  22           HA       LYS  22 107.896   1.502  16.897
    3    HB2  LYS  22           HB2      LYS  22 107.035   2.090  14.114
    4    HB3  LYS  22           HB3      LYS  22 106.380   0.714  14.973
    5    HG2  LYS  22           HG2      LYS  22 106.045   2.706  16.860
    6    HG3  LYS  22           HG3      LYS  22 105.885   3.622  15.373
    7    HD2  LYS  22           HD2      LYS  22 104.321   1.095  15.930
    8    HD3  LYS  22           HD3      LYS  22 103.720   2.717  16.270
    9    HE2  LYS  22           HE2      LYS  22 103.853   3.343  13.955
   10    HE3  LYS  22           HE3      LYS  22 104.724   1.862  13.555
   11    HZ1  LYS  22           HZ1      LYS  22 102.580   0.790  14.611
   12    HZ2  LYS  22           HZ2      LYS  22 101.882   2.258  14.114
   13    HZ3  LYS  22           HZ3      LYS  22 102.631   1.244  12.976

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  23           HA       PRO  23 110.663  -1.859  15.875
    2    HB2  PRO  23           HB2      PRO  23 108.380  -3.685  16.487
    3    HB3  PRO  23           HB3      PRO  23 110.030  -3.679  17.142
    4    HG2  PRO  23           HG2      PRO  23 107.981  -2.799  18.588
    5    HG3  PRO  23           HG3      PRO  23 109.567  -2.006  18.651
    6    HD2  PRO  23           HD2      PRO  23 107.066  -1.098  17.262
    7    HD3  PRO  23           HD3      PRO  23 108.309  -0.155  18.118

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  24           H        GLY  24 111.112  -3.300  14.258
    2    HA2  GLY  24           HA2      GLY  24 109.126  -4.161  12.342
    3    HA3  GLY  24           HA3      GLY  24 110.838  -4.568  12.332

  No H/Q in entry =           3
  In of MODEL    4
    1    H    VAL  25           H        VAL  25 110.020  -1.253  12.690
    2    HA   VAL  25           HA       VAL  25 110.075  -0.687   9.829
    3    HB   VAL  25           HB       VAL  25 110.036   1.222  12.177

  No H/Q in entry =           3
  In of MODEL    4
    1    H    VAL  26           H        VAL  26 111.754   0.081   8.729
    2    HA   VAL  26           HA       VAL  26 114.266   0.786  10.169
    3    HB   VAL  26           HB       VAL  26 113.893  -0.672   7.547

  No H/Q in entry =           3
  In of MODEL    4
    1    H    VAL  27           H        VAL  27 114.746   2.889   9.904
    2    HA   VAL  27           HA       VAL  27 113.460   4.340   7.724
    3    HB   VAL  27           HB       VAL  27 113.113   5.282   9.940

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  28           H        LEU  28 114.412   5.637   6.308
    2    HA   LEU  28           HA       LEU  28 117.291   5.114   5.909
    3    HB2  LEU  28           HB2      LEU  28 115.174   5.809   3.868
    4    HB3  LEU  28           HB3      LEU  28 116.849   5.494   3.503
    5    HG   LEU  28           HG       LEU  28 115.014   3.480   4.814
    6   HD11  LEU  28          HD11      LEU  28 114.427   4.174   2.428
    7   HD12  LEU  28          HD12      LEU  28 115.985   3.531   1.951
    8   HD13  LEU  28          HD13      LEU  28 114.772   2.467   2.653
    9   HD21  LEU  28          HD21      LEU  28 117.831   3.394   3.701
   10   HD22  LEU  28          HD22      LEU  28 117.305   2.959   5.326
   11   HD23  LEU  28          HD23      LEU  28 116.874   1.941   3.959

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   PRO  29           HA       PRO  29 118.276   9.371   6.153
    2    HB2  PRO  29           HB2      PRO  29 119.564   9.322   3.477
    3    HB3  PRO  29           HB3      PRO  29 120.262   9.760   5.046
    4    HG2  PRO  29           HG2      PRO  29 120.868   7.455   3.908
    5    HG3  PRO  29           HG3      PRO  29 120.595   7.546   5.660
    6    HD2  PRO  29           HD2      PRO  29 118.747   6.581   3.513
    7    HD3  PRO  29           HD3      PRO  29 119.087   5.861   5.096

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  30           H        SER  30 116.870   8.233   3.180
    2    HA   SER  30           HA       SER  30 116.037  10.730   2.113
    3    HB2  SER  30           HB2      SER  30 114.641   8.093   1.662
    4    HB3  SER  30           HB3      SER  30 114.834   9.437   0.536
    5    HG   SER  30           HG       SER  30 116.533   7.371   1.147

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  31           H        GLY  31 115.026   8.844   4.728
    2    HA2  GLY  31           HA2      GLY  31 112.708  10.576   5.196
    3    HA3  GLY  31           HA3      GLY  31 113.494   9.539   6.379

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU  32           H        LEU  32 113.244   7.823   3.570
    2    HA   LEU  32           HA       LEU  32 110.507   6.991   3.807
    3    HB2  LEU  32           HB2      LEU  32 111.705   6.955   1.631
    4    HB3  LEU  32           HB3      LEU  32 112.795   5.751   2.257
    5    HG   LEU  32           HG       LEU  32 110.843   4.979   0.747
    6   HD11  LEU  32          HD11      LEU  32 112.274   3.497   2.174
    7   HD12  LEU  32          HD12      LEU  32 110.998   3.545   3.370
    8   HD13  LEU  32          HD13      LEU  32 110.683   2.882   1.783
    9   HD21  LEU  32          HD21      LEU  32 109.156   6.313   1.999
   10   HD22  LEU  32          HD22      LEU  32 108.703   4.640   1.753
   11   HD23  LEU  32          HD23      LEU  32 109.273   5.168   3.320

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLN  33           H        GLN  33 109.745   5.308   4.980
    2    HA   GLN  33           HA       GLN  33 111.697   3.598   6.415
    3    HB2  GLN  33           HB2      GLN  33 109.038   4.695   7.344
    4    HB3  GLN  33           HB3      GLN  33 110.017   3.550   8.227
    5    HG2  GLN  33           HG2      GLN  33 110.898   5.420   9.197
    6    HG3  GLN  33           HG3      GLN  33 111.836   5.487   7.740
    7   HE21  GLN  33          HE21      GLN  33 111.313   7.814   9.175
    8   HE22  GLN  33          HE22      GLN  33 110.309   8.787   8.222

  No H/Q in entry =           8
  In of MODEL    4
    1    H    TYR  34           H        TYR  34 111.323   1.432   6.430
    2    HA   TYR  34           HA       TYR  34 108.766   0.448   5.370
    3    HB2  TYR  34           HB2      TYR  34 109.892  -1.226   4.016
    4    HB3  TYR  34           HB3      TYR  34 110.347   0.388   3.489
    5    HD1  TYR  34           HD1      TYR  34 111.399  -2.519   5.489
    6    HD2  TYR  34           HD2      TYR  34 112.616   1.166   3.676
    7    HE1  TYR  34           HE1      TYR  34 113.774  -3.094   5.937
    8    HE2  TYR  34           HE2      TYR  34 114.987   0.604   4.126
    9    HH   TYR  34           HH       TYR  34 115.900  -2.510   5.585

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS  35           H        LYS  35 108.054  -1.431   6.104
    2    HA   LYS  35           HA       LYS  35 109.613  -2.741   8.216
    3    HB2  LYS  35           HB2      LYS  35 107.934  -1.257   9.190
    4    HB3  LYS  35           HB3      LYS  35 106.662  -2.070   8.306
    5    HG2  LYS  35           HG2      LYS  35 108.432  -3.813   9.897
    6    HG3  LYS  35           HG3      LYS  35 107.465  -2.712  10.852
    7    HD2  LYS  35           HD2      LYS  35 105.449  -3.530   9.642
    8    HD3  LYS  35           HD3      LYS  35 106.466  -4.715   8.822
    9    HE2  LYS  35           HE2      LYS  35 105.435  -5.761  10.762
   10    HE3  LYS  35           HE3      LYS  35 107.156  -5.585  11.055
   11    HZ1  LYS  35           HZ1      LYS  35 106.047  -3.245  11.935
   12    HZ2  LYS  35           HZ2      LYS  35 104.954  -4.439  12.449
   13    HZ3  LYS  35           HZ3      LYS  35 106.587  -4.527  12.907

  No H/Q in entry =          13
  In of MODEL    4
    1    H    VAL  36           H        VAL  36 109.635  -4.856   8.103
    2    HA   VAL  36           HA       VAL  36 108.260  -6.085   5.827
    3    HB   VAL  36           HB       VAL  36 110.595  -6.563   6.008

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ILE  37           H        ILE  37 106.235  -6.606   6.181
    2    HA   ILE  37           HA       ILE  37 105.237  -7.482   8.717
    3    HB   ILE  37           HB       ILE  37 103.907  -7.998   6.056
    4   HD11  ILE  37          HD11      ILE  37 104.324  -5.568   8.729
    5   HD12  ILE  37          HD12      ILE  37 104.201  -4.132   7.755
    6   HD13  ILE  37          HD13      ILE  37 102.751  -4.998   8.244

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASN  38           H        ASN  38 106.182  -9.011   5.711
    2    HA   ASN  38           HA       ASN  38 106.515 -11.583   7.089
    3    HB2  ASN  38           HB2      ASN  38 104.942 -11.124   4.570
    4    HB3  ASN  38           HB3      ASN  38 105.491 -12.694   5.079
    5   HD21  ASN  38          HD21      ASN  38 103.497  -9.937   6.201
    6   HD22  ASN  38          HD22      ASN  38 102.494 -10.873   7.198

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER  39           H        SER  39 108.437 -12.450   6.576
    2    HA   SER  39           HA       SER  39 110.050 -11.213   4.482
    3    HB2  SER  39           HB2      SER  39 111.879 -12.392   5.393
    4    HB3  SER  39           HB3      SER  39 110.963 -11.763   6.759
    5    HG   SER  39           HG       SER  39 109.857 -13.990   6.438

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  40           H        GLY  40 110.159 -11.983   2.509
    2    HA2  GLY  40           HA2      GLY  40 109.168 -13.425   0.846
    3    HA3  GLY  40           HA3      GLY  40 109.348 -14.766   1.968

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASN  41           H        ASN  41 111.682 -12.229   1.345
    2    HA   ASN  41           HA       ASN  41 113.810 -12.237   0.524
    3    HB2  ASN  41           HB2      ASN  41 113.729 -15.147   1.304
    4    HB3  ASN  41           HB3      ASN  41 115.172 -14.157   1.073
    5   HD21  ASN  41          HD21      ASN  41 112.933 -12.090   2.388
    6   HD22  ASN  41          HD22      ASN  41 113.302 -12.288   4.036

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  42           H        GLY  42 111.617 -12.786  -1.336
    2    HA2  GLY  42           HA2      GLY  42 111.210 -13.859  -3.386
    3    HA3  GLY  42           HA3      GLY  42 112.748 -14.688  -3.241

  No H/Q in entry =           3
  In of MODEL    4
    1    H    VAL  43           H        VAL  43 111.882 -13.531  -5.530
    2    HA   VAL  43           HA       VAL  43 114.053 -11.833  -6.216
    3    HB   VAL  43           HB       VAL  43 113.035 -11.777  -8.433

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  44           H        LYS  44 113.269  -9.860  -7.697
    2    HA   LYS  44           HA       LYS  44 111.100  -8.314  -6.985
    3    HB2  LYS  44           HB2      LYS  44 111.845  -6.709  -5.391
    4    HB3  LYS  44           HB3      LYS  44 112.147  -8.273  -4.712
    5    HG2  LYS  44           HG2      LYS  44 114.387  -6.986  -6.231
    6    HG3  LYS  44           HG3      LYS  44 113.980  -6.331  -4.662
    7    HD2  LYS  44           HD2      LYS  44 114.266  -9.309  -4.870
    8    HD3  LYS  44           HD3      LYS  44 115.737  -8.341  -4.913
    9    HE2  LYS  44           HE2      LYS  44 115.361  -7.487  -2.735
   10    HE3  LYS  44           HE3      LYS  44 113.655  -7.918  -2.762
   11    HZ1  LYS  44           HZ1      LYS  44 115.757  -9.975  -2.984
   12    HZ2  LYS  44           HZ2      LYS  44 115.253  -9.405  -1.466
   13    HZ3  LYS  44           HZ3      LYS  44 114.143 -10.156  -2.512

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  45           HA       PRO  45 112.780  -6.081 -10.348
    2    HB2  PRO  45           HB2      PRO  45 111.073  -3.963 -10.401
    3    HB3  PRO  45           HB3      PRO  45 110.586  -5.613 -10.780
    4    HG2  PRO  45           HG2      PRO  45 109.986  -3.965  -8.418
    5    HG3  PRO  45           HG3      PRO  45 109.163  -5.390  -9.053
    6    HD2  PRO  45           HD2      PRO  45 111.021  -5.270  -6.863
    7    HD3  PRO  45           HD3      PRO  45 110.111  -6.676  -7.485

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  46           H        GLY  46 113.884  -4.377 -11.211
    2    HA2  GLY  46           HA2      GLY  46 115.637  -2.835 -11.082
    3    HA3  GLY  46           HA3      GLY  46 115.347  -2.675  -9.354

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  47           H        LYS  47 115.684  -0.400 -10.257
    2    HA   LYS  47           HA       LYS  47 113.368   1.054  -9.933
    3    HB2  LYS  47           HB2      LYS  47 114.593   2.987 -10.573
    4    HB3  LYS  47           HB3      LYS  47 115.687   1.951  -9.684
    5    HG2  LYS  47           HG2      LYS  47 115.756   1.417 -12.569
    6    HG3  LYS  47           HG3      LYS  47 116.115   3.088 -12.227
    7    HD2  LYS  47           HD2      LYS  47 118.171   1.817 -12.267
    8    HD3  LYS  47           HD3      LYS  47 117.879   2.374 -10.623
    9    HE2  LYS  47           HE2      LYS  47 116.948  -0.336 -11.505
   10    HE3  LYS  47           HE3      LYS  47 118.628  -0.101 -11.058
   11    HZ1  LYS  47           HZ1      LYS  47 117.487   1.099  -9.018
   12    HZ2  LYS  47           HZ2      LYS  47 116.246  -0.003  -9.374
   13    HZ3  LYS  47           HZ3      LYS  47 117.809  -0.566  -9.022

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  48           H        SER  48 114.553  -0.508 -12.743
    2    HA   SER  48           HA       SER  48 112.617   0.987 -14.437
    3    HB2  SER  48           HB2      SER  48 115.082  -0.609 -15.117
    4    HB3  SER  48           HB3      SER  48 113.952  -0.010 -16.329
    5    HG   SER  48           HG       SER  48 115.801   1.375 -15.800

  No H/Q in entry =           5
  In of MODEL    4
    1    H    ASP  49           H        ASP  49 112.931  -1.953 -12.829
    2    HA   ASP  49           HA       ASP  49 111.632  -3.627 -14.839
    3    HB2  ASP  49           HB2      ASP  49 112.386  -4.005 -11.997
    4    HB3  ASP  49           HB3      ASP  49 111.566  -5.238 -12.907

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR  50           H        THR  50 109.597  -4.810 -14.199
    2    HA   THR  50           HA       THR  50 107.697  -2.915 -12.975
    3    HB   THR  50           HB       THR  50 106.948  -5.138 -14.833
    4    HG1  THR  50           HG1      THR  50 106.906  -3.390 -16.396
    5   HG21  THR  50          HG21      THR  50 105.601  -2.621 -13.877
    6   HG22  THR  50          HG22      THR  50 105.058  -3.553 -15.273
    7   HG23  THR  50          HG23      THR  50 105.074  -4.308 -13.682

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  51           H        VAL  51 106.175  -3.586 -11.516
    2    HA   VAL  51           HA       VAL  51 106.738  -6.215 -10.267
    3    HB   VAL  51           HB       VAL  51 107.665  -4.153  -9.124

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  52           H        THR  52 104.996  -7.022  -8.853
    2    HA   THR  52           HA       THR  52 102.292  -6.035  -9.629
    3    HB   THR  52           HB       THR  52 103.161  -8.919  -9.405
    4    HG1  THR  52           HG1      THR  52 103.539  -7.414 -11.373
    5   HG21  THR  52          HG21      THR  52 100.507  -7.577  -9.702
    6   HG22  THR  52          HG22      THR  52 100.781  -9.156 -10.432
    7   HG23  THR  52          HG23      THR  52 100.963  -8.962  -8.703

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  53           H        VAL  53 101.258  -5.405  -7.776
    2    HA   VAL  53           HA       VAL  53 101.675  -6.983  -5.315
    3    HB   VAL  53           HB       VAL  53 102.351  -5.086  -4.025

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLU  54           H        GLU  54 100.293  -6.316  -3.490
    2    HA   GLU  54           HA       GLU  54  97.767  -4.950  -4.346
    3    HB2  GLU  54           HB2      GLU  54  97.739  -6.864  -2.006
    4    HB3  GLU  54           HB3      GLU  54  96.429  -6.296  -3.019
    5    HG2  GLU  54           HG2      GLU  54  96.728  -7.885  -4.602
    6    HG3  GLU  54           HG3      GLU  54  98.449  -7.958  -4.411

  No H/Q in entry =           6
  In of MODEL    4
    1    H    TYR  55           H        TYR  55  96.966  -3.368  -2.696
    2    HA   TYR  55           HA       TYR  55  98.547  -3.128  -0.274
    3    HB2  TYR  55           HB2      TYR  55  99.355  -0.838  -0.911
    4    HB3  TYR  55           HB3      TYR  55 100.054  -2.133  -1.885
    5    HD1  TYR  55           HD1      TYR  55  97.375   0.475  -1.836
    6    HD2  TYR  55           HD2      TYR  55  99.606  -2.302  -4.221
    7    HE1  TYR  55           HE1      TYR  55  96.345   1.417  -3.876
    8    HE2  TYR  55           HE2      TYR  55  98.591  -1.343  -6.261
    9    HH   TYR  55           HH       TYR  55  96.078   1.144  -6.085

  No H/Q in entry =           9
  In of MODEL    4
    1    H    THR  56           H        THR  56  98.012  -1.318   1.093
    2    HA   THR  56           HA       THR  56  95.446  -0.045   0.526
    3    HB   THR  56           HB       THR  56  96.143  -1.467   3.047
    4    HG1  THR  56           HG1      THR  56  93.596  -1.172   1.976
    5   HG21  THR  56          HG21      THR  56  94.258   0.881   2.743
    6   HG22  THR  56          HG22      THR  56  94.218  -0.232   4.108
    7   HG23  THR  56          HG23      THR  56  95.634   0.773   3.831

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  57           H        GLY  57  95.369   2.092   0.784
    2    HA2  GLY  57           HA2      GLY  57  96.912   4.015   0.587
    3    HA3  GLY  57           HA3      GLY  57  97.818   3.348   1.940

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ARG  58           H        ARG  58  97.610   4.819   3.538
    2    HA   ARG  58           HA       ARG  58  94.996   6.021   3.998
    3    HB2  ARG  58           HB2      ARG  58  94.731   5.327   6.196
    4    HB3  ARG  58           HB3      ARG  58  95.226   3.867   5.352
    5    HG2  ARG  58           HG2      ARG  58  97.458   3.978   6.214
    6    HG3  ARG  58           HG3      ARG  58  97.261   5.624   6.789
    7    HD2  ARG  58           HD2      ARG  58  96.963   4.533   8.784
    8    HD3  ARG  58           HD3      ARG  58  95.308   4.504   8.227
    9    HE   ARG  58           HE       ARG  58  95.577   2.201   7.604
   10   HH11  ARG  58          HH11      ARG  58  98.323   3.589   9.239
   11   HH12  ARG  58          HH12      ARG  58  99.016   2.057   9.639
   12   HH21  ARG  58          HH21      ARG  58  96.507   0.205   8.141
   13   HH22  ARG  58          HH22      ARG  58  97.999   0.156   9.015

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  59           H        LEU  59  95.008   7.697   5.609
    2    HA   LEU  59           HA       LEU  59  97.366   9.387   5.324
    3    HB2  LEU  59           HB2      LEU  59  94.542   9.697   6.088
    4    HB3  LEU  59           HB3      LEU  59  95.615  10.767   6.956
    5    HG   LEU  59           HG       LEU  59  96.573  11.360   4.615
    6   HD11  LEU  59          HD11      LEU  59  95.441   9.534   3.401
    7   HD12  LEU  59          HD12      LEU  59  93.893  10.218   3.829
    8   HD13  LEU  59          HD13      LEU  59  94.966  11.112   2.794
    9   HD21  LEU  59          HD21      LEU  59  95.033  12.779   6.104
   10   HD22  LEU  59          HD22      LEU  59  95.068  13.154   4.386
   11   HD23  LEU  59          HD23      LEU  59  93.725  12.251   5.053

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE  60           H        ILE  60  98.230  10.497   7.200
    2    HA   ILE  60           HA       ILE  60  99.173   8.757   9.193
    3    HB   ILE  60           HB       ILE  60 100.086  10.656  10.262
    4   HD11  ILE  60          HD11      ILE  60  98.712  12.776   7.524
    5   HD12  ILE  60          HD12      ILE  60  97.271  11.926   8.080
    6   HD13  ILE  60          HD13      ILE  60  97.527  13.590   8.547

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ASP  61           H        ASP  61  96.344  10.614   8.924
    2    HA   ASP  61           HA       ASP  61  95.615  10.388  11.740
    3    HB2  ASP  61           HB2      ASP  61  95.314  12.485  10.368
    4    HB3  ASP  61           HB3      ASP  61  94.022  11.640   9.509

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLY  62           H        GLY  62  95.473   8.332   9.213
    2    HA2  GLY  62           HA2      GLY  62  93.215   6.892  10.397
    3    HA3  GLY  62           HA3      GLY  62  94.391   6.255   9.274

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  63           H        THR  63  93.290   9.217   8.090
    2    HA   THR  63           HA       THR  63  90.798   8.407   6.958
    3    HB   THR  63           HB       THR  63  92.630  10.403   5.651
    4    HG1  THR  63           HG1      THR  63  92.633  10.967   7.794
    5   HG21  THR  63          HG21      THR  63  90.424   9.683   4.654
    6   HG22  THR  63          HG22      THR  63  89.659  10.434   6.039
    7   HG23  THR  63          HG23      THR  63  90.608  11.417   4.930

  No H/Q in entry =           7
  In of MODEL    4
    1    H    VAL  64           H        VAL  64  90.725   6.559   5.796
    2    HA   VAL  64           HA       VAL  64  92.896   5.746   4.122
    3    HB   VAL  64           HB       VAL  64  90.114   4.630   4.376

  No H/Q in entry =           3
  In of MODEL    4
    1    H    PHE  65           H        PHE  65  93.407   6.545   2.289
    2    HA   PHE  65           HA       PHE  65  91.298   7.850   0.691
    3    HB2  PHE  65           HB2      PHE  65  92.951   9.158  -0.336
    4    HB3  PHE  65           HB3      PHE  65  93.222   9.218   1.396
    5    HD1  PHE  65           HD1      PHE  65  94.938   7.498   2.339
    6    HD2  PHE  65           HD2      PHE  65  94.785   8.725  -1.759
    7    HE1  PHE  65           HE1      PHE  65  97.323   6.875   2.064
    8    HE2  PHE  65           HE2      PHE  65  97.179   8.108  -2.013
    9    HZ   PHE  65           HZ       PHE  65  98.423   7.203  -0.111

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP  66           H        ASP  66  93.077   5.011   0.756
    2    HA   ASP  66           HA       ASP  66  91.917   4.193  -1.704
    3    HB2  ASP  66           HB2      ASP  66  94.153   5.627  -2.203
    4    HB3  ASP  66           HB3      ASP  66  94.876   4.035  -2.018

  No H/Q in entry =           4
  In of MODEL    4
    1    H    SER  67           H        SER  67  92.266   1.986  -2.233
    2    HA   SER  67           HA       SER  67  93.866   0.369  -0.509
    3    HB2  SER  67           HB2      SER  67  92.169  -0.873   0.572
    4    HB3  SER  67           HB3      SER  67  91.832   0.831   0.862
    5    HG   SER  67           HG       SER  67  89.996  -0.455   0.152

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  68           H        THR  68  93.999  -1.837  -1.081
    2    HA   THR  68           HA       THR  68  92.657  -2.727  -3.518
    3    HB   THR  68           HB       THR  68  95.668  -2.431  -3.384
    4    HG1  THR  68           HG1      THR  68  95.024  -0.517  -4.052
    5   HG21  THR  68          HG21      THR  68  93.844  -3.643  -5.466
    6   HG22  THR  68          HG22      THR  68  95.540  -3.264  -5.749
    7   HG23  THR  68          HG23      THR  68  95.102  -4.459  -4.546

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  69           H        GLU  69  95.097  -3.306  -1.047
    2    HA   GLU  69           HA       GLU  69  95.270  -6.096  -1.345
    3    HB2  GLU  69           HB2      GLU  69  96.265  -6.095   0.885
    4    HB3  GLU  69           HB3      GLU  69  96.972  -4.909  -0.194
    5    HG2  GLU  69           HG2      GLU  69  96.704  -3.699   1.759
    6    HG3  GLU  69           HG3      GLU  69  95.317  -3.268   0.782

  No H/Q in entry =           6
  In of MODEL    4
    1    H    LYS  70           H        LYS  70  92.919  -4.076   0.190
    2    HA   LYS  70           HA       LYS  70  91.794  -5.827   2.002
    3    HB2  LYS  70           HB2      LYS  70  90.382  -3.914   0.152
    4    HB3  LYS  70           HB3      LYS  70  89.664  -4.645   1.590
    5    HG2  LYS  70           HG2      LYS  70  92.179  -2.992   1.608
    6    HG3  LYS  70           HG3      LYS  70  90.580  -2.317   1.928
    7    HD2  LYS  70           HD2      LYS  70  90.413  -4.164   3.759
    8    HD3  LYS  70           HD3      LYS  70  92.162  -4.304   3.573
    9    HE2  LYS  70           HE2      LYS  70  92.425  -1.921   4.021
   10    HE3  LYS  70           HE3      LYS  70  90.682  -1.752   4.226
   11    HZ1  LYS  70           HZ1      LYS  70  90.896  -3.513   5.992
   12    HZ2  LYS  70           HZ2      LYS  70  92.578  -3.287   5.907
   13    HZ3  LYS  70           HZ3      LYS  70  91.572  -2.002   6.372

  No H/Q in entry =          13
  In of MODEL    4
    1    H    THR  71           H        THR  71  91.326  -5.500  -1.446
    2    HA   THR  71           HA       THR  71  89.574  -7.787  -1.661
    3    HB   THR  71           HB       THR  71  89.968  -7.390  -4.151
    4    HG1  THR  71           HG1      THR  71  90.845  -5.232  -4.505
    5   HG21  THR  71          HG21      THR  71  88.886  -5.176  -2.392
    6   HG22  THR  71          HG22      THR  71  88.632  -5.268  -4.134
    7   HG23  THR  71          HG23      THR  71  87.981  -6.523  -3.084

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  72           H        GLY  72  92.952  -7.045  -1.887
    2    HA2  GLY  72           HA2      GLY  72  93.667  -9.823  -1.889
    3    HA3  GLY  72           HA3      GLY  72  94.771  -8.459  -1.801

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS  73           H        LYS  73  93.192  -7.432  -4.296
    2    HA   LYS  73           HA       LYS  73  94.246  -9.280  -6.304
    3    HB2  LYS  73           HB2      LYS  73  92.263  -7.059  -6.297
    4    HB3  LYS  73           HB3      LYS  73  93.099  -7.371  -7.815
    5    HG2  LYS  73           HG2      LYS  73  91.168  -8.683  -7.947
    6    HG3  LYS  73           HG3      LYS  73  92.418  -9.832  -7.505
    7    HD2  LYS  73           HD2      LYS  73  91.490  -8.908  -5.019
    8    HD3  LYS  73           HD3      LYS  73  90.024  -9.002  -5.986
    9    HE2  LYS  73           HE2      LYS  73  90.514 -11.094  -4.762
   10    HE3  LYS  73           HE3      LYS  73  90.499 -11.345  -6.509
   11    HZ1  LYS  73           HZ1      LYS  73  93.064 -10.595  -5.413
   12    HZ2  LYS  73           HZ2      LYS  73  92.492 -12.094  -4.865
   13    HZ3  LYS  73           HZ3      LYS  73  92.676 -11.815  -6.532

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  74           HA       PRO  74  97.925  -6.774  -6.382
    2    HB2  PRO  74           HB2      PRO  74  98.644  -8.451  -8.728
    3    HB3  PRO  74           HB3      PRO  74  99.547  -8.123  -7.239
    4    HG2  PRO  74           HG2      PRO  74  98.377 -10.467  -7.627
    5    HG3  PRO  74           HG3      PRO  74  98.383  -9.697  -6.037
    6    HD2  PRO  74           HD2      PRO  74  96.185  -9.812  -8.057
    7    HD3  PRO  74           HD3      PRO  74  96.158 -10.056  -6.302

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  75           H        ALA  75  98.871  -5.207  -7.606
    2    HA   ALA  75           HA       ALA  75  97.567  -4.420 -10.147
    3    HB1  ALA  75           HB1      ALA  75  97.104  -2.988  -7.988
    4    HB2  ALA  75           HB2      ALA  75  97.481  -2.179  -9.506
    5    HB3  ALA  75           HB3      ALA  75  98.732  -2.378  -8.280

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  76           H        THR  76  99.088  -3.417 -11.684
    2    HA   THR  76           HA       THR  76 101.895  -4.116 -11.069
    3    HB   THR  76           HB       THR  76 101.156  -5.445 -12.862
    4    HG1  THR  76           HG1      THR  76 102.478  -3.178 -13.932
    5   HG21  THR  76          HG21      THR  76  99.994  -2.882 -13.970
    6   HG22  THR  76          HG22      THR  76 100.144  -4.361 -14.915
    7   HG23  THR  76          HG23      THR  76  99.119  -4.333 -13.481

  No H/Q in entry =           7
  In of MODEL    4
    1    H    PHE  77           H        PHE  77 103.439  -2.703 -11.049
    2    HA   PHE  77           HA       PHE  77 103.072  -0.076 -12.333
    3    HB2  PHE  77           HB2      PHE  77 104.351  -0.431  -9.625
    4    HB3  PHE  77           HB3      PHE  77 104.024   1.078 -10.460
    5    HD1  PHE  77           HD1      PHE  77 102.954  -0.844  -7.862
    6    HD2  PHE  77           HD2      PHE  77 101.421   1.161 -11.313
    7    HE1  PHE  77           HE1      PHE  77 100.749  -0.702  -6.777
    8    HE2  PHE  77           HE2      PHE  77  99.202   1.340 -10.231
    9    HZ   PHE  77           HZ       PHE  77  98.849   0.398  -7.957

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLN  78           H        GLN  78 104.981   0.932 -12.824
    2    HA   GLN  78           HA       GLN  78 107.297  -0.842 -13.027
    3    HB2  GLN  78           HB2      GLN  78 106.521   1.658 -14.488
    4    HB3  GLN  78           HB3      GLN  78 108.170   1.057 -14.519
    5    HG2  GLN  78           HG2      GLN  78 107.175  -1.158 -15.272
    6    HG3  GLN  78           HG3      GLN  78 105.679  -0.289 -15.521
    7   HE21  GLN  78          HE21      GLN  78 108.099   1.873 -16.092
    8   HE22  GLN  78          HE22      GLN  78 108.264   1.695 -17.770

  No H/Q in entry =           8
  In of MODEL    4
    1    H    VAL  79           H        VAL  79 108.837  -0.605 -11.597
    2    HA   VAL  79           HA       VAL  79 108.633   0.938  -9.371
    3    HB   VAL  79           HB       VAL  79 111.254   0.172 -10.657

  No H/Q in entry =           3
  In of MODEL    4
    1    H    SER  80           H        SER  80 109.796   1.902 -12.533
    2    HA   SER  80           HA       SER  80 111.040   4.316 -11.652
    3    HB2  SER  80           HB2      SER  80 111.861   3.484 -13.681
    4    HB3  SER  80           HB3      SER  80 110.241   3.212 -14.310
    5    HG   SER  80           HG       SER  80 111.644   5.221 -14.872

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLN  81           H        GLN  81 107.828   3.379 -12.497
    2    HA   GLN  81           HA       GLN  81 106.943   6.165 -12.848
    3    HB2  GLN  81           HB2      GLN  81 105.418   3.574 -13.112
    4    HB3  GLN  81           HB3      GLN  81 104.835   5.164 -13.568
    5    HG2  GLN  81           HG2      GLN  81 107.203   3.705 -14.766
    6    HG3  GLN  81           HG3      GLN  81 105.615   3.980 -15.530
    7   HE21  GLN  81          HE21      GLN  81 108.756   5.119 -15.477
    8   HE22  GLN  81          HE22      GLN  81 108.482   6.720 -15.963

  No H/Q in entry =           8
  In of MODEL    4
    1    H    VAL  82           H        VAL  82 107.064   3.837 -10.320
    2    HA   VAL  82           HA       VAL  82 104.614   4.774  -9.070
    3    HB   VAL  82           HB       VAL  82 105.515   2.433  -9.038

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ILE  83           H        ILE  83 104.661   5.428  -6.678
    2    HA   ILE  83           HA       ILE  83 105.842   7.914  -6.521
    3    HB   ILE  83           HB       ILE  83 105.552   6.907  -3.814
    4   HD11  ILE  83          HD11      ILE  83 103.296   6.827  -2.881
    5   HD12  ILE  83          HD12      ILE  83 101.966   6.399  -3.951
    6   HD13  ILE  83          HD13      ILE  83 102.862   5.139  -3.117

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   PRO  84           HA       PRO  84 110.188   7.361  -5.739
    2    HB2  PRO  84           HB2      PRO  84 109.853   9.146  -3.355
    3    HB3  PRO  84           HB3      PRO  84 111.037   9.250  -4.672
    4    HG2  PRO  84           HG2      PRO  84 108.957  10.893  -4.570
    5    HG3  PRO  84           HG3      PRO  84 109.528  10.240  -6.100
    6    HD2  PRO  84           HD2      PRO  84 107.125   9.500  -4.557
    7    HD3  PRO  84           HD3      PRO  84 107.358   9.495  -6.306

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  85           H        GLY  85 108.205   7.448  -2.788
    2    HA2  GLY  85           HA2      GLY  85 108.234   6.058  -0.950
    3    HA3  GLY  85           HA3      GLY  85 109.977   6.067  -1.112

  No H/Q in entry =           3
  In of MODEL    4
    1    H    TRP  86           H        TRP  86 107.365   4.918  -3.123
    2    HA   TRP  86           HA       TRP  86 107.642   2.133  -2.664
    3    HB2  TRP  86           HB2      TRP  86 106.363   3.907  -4.702
    4    HB3  TRP  86           HB3      TRP  86 106.494   2.191  -5.075
    5    HD1  TRP  86           HD1      TRP  86 105.218   4.296  -2.043
    6    HE1  TRP  86           HE1      TRP  86 103.070   3.195  -1.198
    7    HE3  TRP  86           HE3      TRP  86 104.979   0.390  -5.225
    8    HZ2  TRP  86           HZ2      TRP  86 101.462   0.910  -1.822
    9    HZ3  TRP  86           HZ3      TRP  86 103.149  -1.218  -5.093
   10    HH2  TRP  86           HH2      TRP  86 101.365  -0.980  -3.399

  No H/Q in entry =          10
  In of MODEL    4
    1    H    THR  87           H        THR  87 109.079   4.333  -5.039
    2    HA   THR  87           HA       THR  87 110.151   2.586  -6.845
    3    HB   THR  87           HB       THR  87 111.577   5.010  -5.760
    4    HG1  THR  87           HG1      THR  87 109.203   5.048  -6.509
    5   HG21  THR  87          HG21      THR  87 112.712   3.440  -7.451
    6   HG22  THR  87          HG22      THR  87 111.506   4.013  -8.583
    7   HG23  THR  87          HG23      THR  87 112.609   5.142  -7.870

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLU  88           H        GLU  88 111.772   3.780  -3.914
    2    HA   GLU  88           HA       GLU  88 114.019   2.054  -4.238
    3    HB2  GLU  88           HB2      GLU  88 114.082   4.246  -3.079
    4    HB3  GLU  88           HB3      GLU  88 113.152   3.538  -1.756
    5    HG2  GLU  88           HG2      GLU  88 114.907   1.886  -1.360
    6    HG3  GLU  88           HG3      GLU  88 115.821   2.490  -2.740

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ALA  89           H        ALA  89 111.128   1.887  -2.175
    2    HA   ALA  89           HA       ALA  89 111.922  -0.270  -0.586
    3    HB1  ALA  89           HB1      ALA  89 109.173   0.581  -1.496
    4    HB2  ALA  89           HB2      ALA  89 109.982   0.981   0.021
    5    HB3  ALA  89           HB3      ALA  89 109.476  -0.671  -0.298

  No H/Q in entry =           5
  In of MODEL    4
    1    H    LEU  90           H        LEU  90 110.047  -0.435  -3.664
    2    HA   LEU  90           HA       LEU  90 109.559  -3.187  -3.642
    3    HB2  LEU  90           HB2      LEU  90 110.136  -1.433  -6.041
    4    HB3  LEU  90           HB3      LEU  90 109.360  -2.999  -6.085
    5    HG   LEU  90           HG       LEU  90 108.271  -0.742  -4.416
    6   HD11  LEU  90          HD11      LEU  90 107.838  -1.378  -7.322
    7   HD12  LEU  90          HD12      LEU  90 106.680  -0.455  -6.393
    8   HD13  LEU  90          HD13      LEU  90 108.317   0.150  -6.611
    9   HD21  LEU  90          HD21      LEU  90 107.217  -3.352  -5.445
   10   HD22  LEU  90          HD22      LEU  90 107.269  -2.794  -3.792
   11   HD23  LEU  90          HD23      LEU  90 106.138  -2.086  -4.941

  No H/Q in entry =          11
  In of MODEL    4
    1    H    GLN  91           H        GLN  91 112.354  -1.386  -4.800
    2    HA   GLN  91           HA       GLN  91 113.706  -3.511  -6.009
    3    HB2  GLN  91           HB2      GLN  91 114.792  -1.014  -4.716
    4    HB3  GLN  91           HB3      GLN  91 115.688  -2.069  -5.808
    5    HG2  GLN  91           HG2      GLN  91 114.134  -1.623  -7.616
    6    HG3  GLN  91           HG3      GLN  91 113.082  -0.706  -6.535
    7   HE21  GLN  91          HE21      GLN  91 113.312   1.414  -7.401
    8   HE22  GLN  91          HE22      GLN  91 114.805   2.211  -7.533

  No H/Q in entry =           8
  In of MODEL    4
    1    H    LEU  92           H        LEU  92 113.270  -2.642  -2.690
    2    HA   LEU  92           HA       LEU  92 115.405  -4.499  -1.809
    3    HB2  LEU  92           HB2      LEU  92 113.804  -2.538  -0.164
    4    HB3  LEU  92           HB3      LEU  92 115.254  -3.411   0.332
    5    HG   LEU  92           HG       LEU  92 115.160  -1.400  -1.921
    6   HD11  LEU  92          HD11      LEU  92 114.748  -0.408   0.290
    7   HD12  LEU  92          HD12      LEU  92 116.275  -1.091   0.847
    8   HD13  LEU  92          HD13      LEU  92 116.260   0.121  -0.435
    9   HD21  LEU  92          HD21      LEU  92 117.343  -2.989  -0.627
   10   HD22  LEU  92          HD22      LEU  92 116.958  -2.871  -2.343
   11   HD23  LEU  92          HD23      LEU  92 117.682  -1.504  -1.508

  No H/Q in entry =          11
  In of MODEL    4
    1    H    MET  93           H        MET  93 112.086  -4.278  -2.263
    2    HA   MET  93           HA       MET  93 111.284  -5.994  -0.077
    3    HB2  MET  93           HB2      MET  93 110.016  -4.087  -1.153
    4    HB3  MET  93           HB3      MET  93 109.662  -5.190  -2.475
    5    HG2  MET  93           HG2      MET  93 108.537  -6.709  -0.964
    6    HG3  MET  93           HG3      MET  93 108.999  -5.746   0.432
    7    HE1  MET  93           HE1      MET  93 108.668  -3.243   0.429
    8    HE2  MET  93           HE2      MET  93 108.264  -2.554  -1.133
    9    HE3  MET  93           HE3      MET  93 107.090  -2.514   0.171

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   PRO  94           HA       PRO  94 112.245  -9.585  -2.832
    2    HB2  PRO  94           HB2      PRO  94 111.752 -11.212  -0.441
    3    HB3  PRO  94           HB3      PRO  94 113.213 -11.099  -1.429
    4    HG2  PRO  94           HG2      PRO  94 113.096 -10.094   1.046
    5    HG3  PRO  94           HG3      PRO  94 114.026  -9.305  -0.241
    6    HD2  PRO  94           HD2      PRO  94 111.306  -8.612   0.795
    7    HD3  PRO  94           HD3      PRO  94 112.663  -7.564   0.427

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  95           H        ALA  95 111.001 -11.044  -3.902
    2    HA   ALA  95           HA       ALA  95 108.210 -10.738  -3.809
    3    HB1  ALA  95           HB1      ALA  95 109.912 -12.809  -5.142
    4    HB2  ALA  95           HB2      ALA  95 108.159 -12.719  -5.326
    5    HB3  ALA  95           HB3      ALA  95 109.167 -11.383  -5.864

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  96           H        GLY  96 106.629 -11.681  -2.786
    2    HA2  GLY  96           HA2      GLY  96 107.129 -14.191  -1.341
    3    HA3  GLY  96           HA3      GLY  96 105.561 -13.475  -1.704

  No H/Q in entry =           3
  In of MODEL    4
    1    H    SER  97           H        SER  97 107.984 -11.291  -0.693
    2    HA   SER  97           HA       SER  97 107.298 -11.441   2.142
    3    HB2  SER  97           HB2      SER  97 109.157 -10.089   2.501
    4    HB3  SER  97           HB3      SER  97 109.639 -10.925   1.025
    5    HG   SER  97           HG       SER  97 109.402  -8.347   1.387

  No H/Q in entry =           5
  In of MODEL    4
    1    H    THR  98           H        THR  98 106.005 -10.056   3.192
    2    HA   THR  98           HA       THR  98 104.648  -7.975   1.606
    3    HB   THR  98           HB       THR  98 103.722  -9.273   4.169
    4    HG1  THR  98           HG1      THR  98 103.099 -10.803   2.901
    5   HG21  THR  98          HG21      THR  98 102.485  -7.327   2.209
    6   HG22  THR  98          HG22      THR  98 101.565  -8.224   3.417
    7   HG23  THR  98          HG23      THR  98 102.810  -7.085   3.923

  No H/Q in entry =           7
  In of MODEL    4
    1    H    TRP  99           H        TRP  99 105.451  -6.019   1.933
    2    HA   TRP  99           HA       TRP  99 106.448  -5.339   4.642
    3    HB2  TRP  99           HB2      TRP  99 107.234  -4.260   1.933
    4    HB3  TRP  99           HB3      TRP  99 107.737  -3.528   3.444
    5    HD1  TRP  99           HD1      TRP  99 107.766  -7.265   3.662
    6    HE1  TRP  99           HE1      TRP  99 110.143  -8.149   3.486
    7    HE3  TRP  99           HE3      TRP  99 110.109  -2.991   2.169
    8    HZ2  TRP  99           HZ2      TRP  99 112.748  -7.160   2.797
    9    HZ3  TRP  99           HZ3      TRP  99 112.555  -2.996   1.769
   10    HH2  TRP  99           HH2      TRP  99 113.876  -5.068   2.084

  No H/Q in entry =          10
  In of MODEL    4
    1    H    GLU 100           H        GLU 100 106.299  -3.091   5.188
    2    HA   GLU 100           HA       GLU 100 104.001  -1.636   4.046
    3    HB2  GLU 100           HB2      GLU 100 104.690  -2.044   6.957
    4    HB3  GLU 100           HB3      GLU 100 103.741  -0.666   6.419
    5    HG2  GLU 100           HG2      GLU 100 102.063  -2.106   5.478
    6    HG3  GLU 100           HG3      GLU 100 103.015  -3.535   5.830

  No H/Q in entry =           6
  In of MODEL    4
    1    H    ILE 101           H        ILE 101 104.658   0.348   3.349
    2    HA   ILE 101           HA       ILE 101 107.092   1.431   4.539
    3    HB   ILE 101           HB       ILE 101 108.004   2.049   2.530
    4   HD11  ILE 101          HD11      ILE 101 108.004   2.764   0.263
    5   HD12  ILE 101          HD12      ILE 101 107.296   1.238  -0.250
    6   HD13  ILE 101          HD13      ILE 101 106.538   2.753  -0.698

  No H/Q in entry =           6
  In of MODEL    4
    1    H    TYR 102           H        TYR 102 107.129   3.404   5.167
    2    HA   TYR 102           HA       TYR 102 104.611   4.936   5.020
    3    HB2  TYR 102           HB2      TYR 102 106.917   5.182   6.956
    4    HB3  TYR 102           HB3      TYR 102 105.368   5.973   7.087
    5    HD1  TYR 102           HD1      TYR 102 106.403   2.365   6.449
    6    HD2  TYR 102           HD2      TYR 102 104.129   5.075   8.867
    7    HE1  TYR 102           HE1      TYR 102 105.514   0.478   7.686
    8    HE2  TYR 102           HE2      TYR 102 103.238   3.163  10.146
    9    HH   TYR 102           HH       TYR 102 103.681   0.917  10.628

  No H/Q in entry =           9
  In of MODEL    4
    1    H    VAL 103           H        VAL 103 104.849   6.175   3.261
    2    HA   VAL 103           HA       VAL 103 107.393   7.205   2.498
    3    HB   VAL 103           HB       VAL 103 104.804   7.721   1.140

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO 104           HA       PRO 104 106.798  11.198   4.532
    2    HB2  PRO 104           HB2      PRO 104 109.046  11.853   2.670
    3    HB3  PRO 104           HB3      PRO 104 108.915  12.155   4.414
    4    HG2  PRO 104           HG2      PRO 104 110.472  10.200   3.403
    5    HG3  PRO 104           HG3      PRO 104 109.670  10.044   4.962
    6    HD2  PRO 104           HD2      PRO 104 109.048   8.711   2.407
    7    HD3  PRO 104           HD3      PRO 104 108.680   8.207   4.074

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER 105           H        SER 105 105.784  13.102   3.779
    2    HA   SER 105           HA       SER 105 104.264  12.953   1.500
    3    HB2  SER 105           HB2      SER 105 103.734  15.261   1.802
    4    HB3  SER 105           HB3      SER 105 103.986  14.584   3.408
    5    HG   SER 105           HG       SER 105 105.262  16.595   2.234

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY 106           H        GLY 106 107.515  14.255   1.862
    2    HA2  GLY 106           HA2      GLY 106 109.067  14.951   0.307
    3    HA3  GLY 106           HA3      GLY 106 107.716  15.473  -0.691

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LEU 107           H        LEU 107 108.181  12.183   0.443
    2    HA   LEU 107           HA       LEU 107 109.141  11.332  -2.225
    3    HB2  LEU 107           HB2      LEU 107 108.894   9.730   0.337
    4    HB3  LEU 107           HB3      LEU 107 109.675   9.207  -1.132
    5    HG   LEU 107           HG       LEU 107 110.559  11.444   0.693
    6   HD11  LEU 107          HD11      LEU 107 111.138   9.181   1.428
    7   HD12  LEU 107          HD12      LEU 107 111.860   8.853  -0.141
    8   HD13  LEU 107          HD13      LEU 107 112.580  10.056   0.922
    9   HD21  LEU 107          HD21      LEU 107 111.480  10.683  -2.068
   10   HD22  LEU 107          HD22      LEU 107 111.076  12.286  -1.460
   11   HD23  LEU 107          HD23      LEU 107 112.561  11.493  -0.938

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ALA 108           H        ALA 108 106.214  11.825  -0.786
    2    HA   ALA 108           HA       ALA 108 104.997   9.439  -1.993
    3    HB1  ALA 108           HB1      ALA 108 103.697  11.327  -0.029
    4    HB2  ALA 108           HB2      ALA 108 103.124   9.758  -0.561
    5    HB3  ALA 108           HB3      ALA 108 104.543   9.882   0.441

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR 109           H        TYR 109 102.954  12.105  -1.234
    2    HA   TYR 109           HA       TYR 109 102.615  12.547  -4.099
    3    HB2  TYR 109           HB2      TYR 109 100.679  12.434  -1.814
    4    HB3  TYR 109           HB3      TYR 109 100.244  13.283  -3.301
    5    HD1  TYR 109           HD1      TYR 109 100.515  10.039  -1.783
    6    HD2  TYR 109           HD2      TYR 109 100.787  12.131  -5.505
    7    HE1  TYR 109           HE1      TYR 109 100.413   7.920  -2.962
    8    HE2  TYR 109           HE2      TYR 109 100.714  10.023  -6.712
    9    HH   TYR 109           HH       TYR 109 101.361   7.172  -5.442

  No H/Q in entry =           9
  In of MODEL    4
    1    H    GLY 110           H        GLY 110 104.208  14.147  -1.827
    2    HA2  GLY 110           HA2      GLY 110 103.572  16.702  -3.187
    3    HA3  GLY 110           HA3      GLY 110 105.116  16.291  -2.487

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO 111           HA       PRO 111 104.026  18.540   1.113
    2    HB2  PRO 111           HB2      PRO 111 104.766  21.026   0.534
    3    HB3  PRO 111           HB3      PRO 111 105.959  19.712   0.521
    4    HG2  PRO 111           HG2      PRO 111 104.482  20.898  -1.795
    5    HG3  PRO 111           HG3      PRO 111 106.225  20.619  -1.615
    6    HD2  PRO 111           HD2      PRO 111 104.600  18.871  -2.923
    7    HD3  PRO 111           HD3      PRO 111 106.018  18.330  -2.009

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ARG 112           H        ARG 112 102.477  19.113  -1.826
    2    HA   ARG 112           HA       ARG 112 100.423  20.931  -0.712
    3    HB2  ARG 112           HB2      ARG 112 101.692  21.404  -2.912
    4    HB3  ARG 112           HB3      ARG 112 100.771  20.065  -3.592
    5    HG2  ARG 112           HG2      ARG 112  98.661  21.217  -2.939
    6    HG3  ARG 112           HG3      ARG 112  99.610  22.571  -2.340
    7    HD2  ARG 112           HD2      ARG 112 100.600  22.787  -4.650
    8    HD3  ARG 112           HD3      ARG 112  99.452  21.561  -5.185
    9    HE   ARG 112           HE       ARG 112  97.915  23.468  -3.923
   10   HH11  ARG 112          HH11      ARG 112 100.181  23.366  -6.541
   11   HH12  ARG 112          HH12      ARG 112  99.452  24.684  -7.397
   12   HH21  ARG 112          HH21      ARG 112  96.957  25.181  -5.045
   13   HH22  ARG 112          HH22      ARG 112  97.624  25.711  -6.552

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER 113           H        SER 113  98.145  20.409  -1.417
    2    HA   SER 113           HA       SER 113  97.522  17.655  -0.870
    3    HB2  SER 113           HB2      SER 113  95.604  19.747  -1.885
    4    HB3  SER 113           HB3      SER 113  95.278  18.350  -0.862
    5    HG   SER 113           HG       SER 113  96.943  20.531  -0.161

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL 114           H        VAL 114  98.257  16.362  -2.543
    2    HA   VAL 114           HA       VAL 114  97.312  17.007  -5.291
    3    HB   VAL 114           HB       VAL 114  99.430  14.994  -4.562

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLY 115           H        GLY 115  95.214  16.113  -4.069
    2    HA2  GLY 115           HA2      GLY 115  95.047  13.269  -3.787
    3    HA3  GLY 115           HA3      GLY 115  94.429  13.794  -5.347

  No H/Q in entry =           3
  In of MODEL    4
    1    H    GLY 116           H        GLY 116  92.712  12.524  -3.744
    2    HA2  GLY 116           HA2      GLY 116  90.553  12.687  -2.940
    3    HA3  GLY 116           HA3      GLY 116  90.583  14.364  -3.433

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO 117           HA       PRO 117  90.259  14.312   1.203
    2    HB2  PRO 117           HB2      PRO 117  91.118  12.150   2.642
    3    HB3  PRO 117           HB3      PRO 117  89.503  12.278   1.942
    4    HG2  PRO 117           HG2      PRO 117  91.902  10.901   0.853
    5    HG3  PRO 117           HG3      PRO 117  90.236  10.337   0.920
    6    HD2  PRO 117           HD2      PRO 117  91.270  11.292  -1.342
    7    HD3  PRO 117           HD3      PRO 117  89.590  11.651  -0.890

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ILE 118           H        ILE 118  93.164  13.210  -0.223
    2    HA   ILE 118           HA       ILE 118  94.963  13.740   1.906
    3    HB   ILE 118           HB       ILE 118  95.587  14.022  -1.040
    4   HD11  ILE 118          HD11      ILE 118  94.037  12.558  -1.814
    5   HD12  ILE 118          HD12      ILE 118  95.287  11.453  -2.364
    6   HD13  ILE 118          HD13      ILE 118  93.973  10.871  -1.367

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY 119           H        GLY 119  95.161  15.664   2.820
    2    HA2  GLY 119           HA2      GLY 119  94.885  17.947   3.107
    3    HA3  GLY 119           HA3      GLY 119  94.580  18.129   1.390

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO 120           HA       PRO 120  98.663  19.725   1.049
    2    HB2  PRO 120           HB2      PRO 120  99.083  21.650   2.946
    3    HB3  PRO 120           HB3      PRO 120  98.079  21.906   1.523
    4    HG2  PRO 120           HG2      PRO 120  97.244  21.190   4.289
    5    HG3  PRO 120           HG3      PRO 120  96.539  22.360   3.188
    6    HD2  PRO 120           HD2      PRO 120  95.452  19.936   3.581
    7    HD3  PRO 120           HD3      PRO 120  95.409  20.710   1.985

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ASN 121           H        ASN 121 100.760  19.211   1.571
    2    HA   ASN 121           HA       ASN 121 102.457  18.108   2.653
    3    HB2  ASN 121           HB2      ASN 121 102.261  20.325   3.860
    4    HB3  ASN 121           HB3      ASN 121 101.384  19.456   5.122
    5   HD21  ASN 121          HD21      ASN 121 102.585  17.639   6.204
    6   HD22  ASN 121          HD22      ASN 121 104.279  17.706   6.283

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLU 122           H        GLU 122 100.585  16.310   2.254
    2    HA   GLU 122           HA       GLU 122  99.989  14.972   4.814
    3    HB2  GLU 122           HB2      GLU 122  98.992  14.659   2.001
    4    HB3  GLU 122           HB3      GLU 122  98.728  13.397   3.196
    5    HG2  GLU 122           HG2      GLU 122  97.920  16.275   3.600
    6    HG3  GLU 122           HG3      GLU 122  96.852  15.028   2.973

  No H/Q in entry =           6
  In of MODEL    4
    1    H    THR 123           H        THR 123 100.996  13.203   5.450
    2    HA   THR 123           HA       THR 123 103.045  11.997   3.705
    3    HB   THR 123           HB       THR 123 102.428  11.594   6.639
    4    HG1  THR 123           HG1      THR 123 104.437  12.968   5.215
    5   HG21  THR 123          HG21      THR 123 103.313   9.560   5.524
    6   HG22  THR 123          HG22      THR 123 104.664  10.502   4.942
    7   HG23  THR 123          HG23      THR 123 104.457  10.231   6.670

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU 124           H        LEU 124 102.589  10.122   2.693
    2    HA   LEU 124           HA       LEU 124 100.121   8.671   3.503
    3    HB2  LEU 124           HB2      LEU 124 101.496   8.757   0.794
    4    HB3  LEU 124           HB3      LEU 124 100.101   7.789   1.198
    5    HG   LEU 124           HG       LEU 124  99.154   9.652   0.110
    6   HD11  LEU 124          HD11      LEU 124  98.171   9.276   2.410
    7   HD12  LEU 124          HD12      LEU 124  99.137  10.655   2.927
    8   HD13  LEU 124          HD13      LEU 124  97.910  10.868   1.700
    9   HD21  LEU 124          HD21      LEU 124 101.261  10.945   0.054
   10   HD22  LEU 124          HD22      LEU 124  99.841  11.929   0.379
   11   HD23  LEU 124          HD23      LEU 124 100.918  11.484   1.686

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE 125           H        ILE 125 100.150   6.587   3.899
    2    HA   ILE 125           HA       ILE 125 102.708   5.113   3.710
    3    HB   ILE 125           HB       ILE 125 102.286   5.306   6.045
    4   HD11  ILE 125          HD11      ILE 125 101.999   3.744   7.740
    5   HD12  ILE 125          HD12      ILE 125 100.761   2.532   7.479
    6   HD13  ILE 125          HD13      ILE 125 102.456   2.118   7.289

  No H/Q in entry =           6
  In of MODEL    4
    1    H    PHE 126           H        PHE 126 102.593   3.032   2.927
    2    HA   PHE 126           HA       PHE 126  99.931   2.041   2.210
    3    HB2  PHE 126           HB2      PHE 126 102.161   1.671   0.253
    4    HB3  PHE 126           HB3      PHE 126 100.411   1.624  -0.005
    5    HD1  PHE 126           HD1      PHE 126  99.336   3.502  -0.901
    6    HD2  PHE 126           HD2      PHE 126 103.144   3.950   1.024
    7    HE1  PHE 126           HE1      PHE 126  99.420   5.882  -1.615
    8    HE2  PHE 126           HE2      PHE 126 103.211   6.321   0.322
    9    HZ   PHE 126           HZ       PHE 126 101.364   7.284  -0.991

  No H/Q in entry =           9
  In of MODEL    4
    1    H    LYS 127           H        LYS 127  99.745  -0.197   2.021
    2    HA   LYS 127           HA       LYS 127 101.910  -1.707   3.285
    3    HB2  LYS 127           HB2      LYS 127  99.439  -3.212   2.810
    4    HB3  LYS 127           HB3      LYS 127 100.282  -2.943   4.316
    5    HG2  LYS 127           HG2      LYS 127  98.414  -0.958   3.047
    6    HG3  LYS 127           HG3      LYS 127  97.963  -2.082   4.314
    7    HD2  LYS 127           HD2      LYS 127  99.599  -1.091   5.847
    8    HD3  LYS 127           HD3      LYS 127 100.126   0.034   4.600
    9    HE2  LYS 127           HE2      LYS 127  97.843   0.964   4.487
   10    HE3  LYS 127           HE3      LYS 127  97.336  -0.142   5.761
   11    HZ1  LYS 127           HZ1      LYS 127  98.984   0.875   7.223
   12    HZ2  LYS 127           HZ2      LYS 127  99.426   1.952   5.986
   13    HZ3  LYS 127           HZ3      LYS 127  97.870   2.021   6.654

  No H/Q in entry =          13
  In of MODEL    4
    1    H    ILE 128           H        ILE 128 103.177  -2.847   1.933
    2    HA   ILE 128           HA       ILE 128 101.997  -3.397  -0.753
    3    HB   ILE 128           HB       ILE 128 104.943  -3.092  -0.282
    4   HD11  ILE 128          HD11      ILE 128 105.012  -0.542  -2.048
    5   HD12  ILE 128          HD12      ILE 128 104.757   0.667  -0.802
    6   HD13  ILE 128          HD13      ILE 128 105.905  -0.633  -0.530

  No H/Q in entry =           6
  In of MODEL    4
    1    H    HIS 129           H        HIS 129 101.616  -5.338  -1.182
    2    HA   HIS 129           HA       HIS 129 103.206  -7.534  -0.003
    3    HB2  HIS 129           HB2      HIS 129 100.855  -7.695   0.574
    4    HB3  HIS 129           HB3      HIS 129 100.393  -7.447  -1.107
    5    HD2  HIS 129           HD2      HIS 129 103.223 -10.047  -0.077
    6    HE1  HIS 129           HE1      HIS 129  99.964 -12.102  -1.830
    7    HE2  HIS 129           HE2      HIS 129 102.345 -12.343  -1.005

  No H/Q in entry =           7
  In of MODEL    4
    1    H    LEU 130           H        LEU 130 104.588  -8.543  -1.378
    2    HA   LEU 130           HA       LEU 130 104.283  -7.976  -4.226
    3    HB2  LEU 130           HB2      LEU 130 106.486  -8.007  -2.560
    4    HB3  LEU 130           HB3      LEU 130 106.613  -9.514  -3.413
    5    HG   LEU 130           HG       LEU 130 106.253  -6.846  -4.736
    6   HD11  LEU 130          HD11      LEU 130 108.686  -8.589  -4.428
    7   HD12  LEU 130          HD12      LEU 130 108.615  -7.219  -5.518
    8   HD13  LEU 130          HD13      LEU 130 108.472  -6.974  -3.774
    9   HD21  LEU 130          HD21      LEU 130 105.309  -8.753  -6.027
   10   HD22  LEU 130          HD22      LEU 130 106.703  -8.064  -6.807
   11   HD23  LEU 130          HD23      LEU 130 106.878  -9.557  -5.917

  No H/Q in entry =          11
  In of MODEL    4
    1    H    ILE 131           H        ILE 131 103.094  -9.309  -5.383
    2    HA   ILE 131           HA       ILE 131 102.954 -12.154  -4.708
    3    HB   ILE 131           HB       ILE 131 101.389 -10.396  -6.609
    4   HD11  ILE 131          HD11      ILE 131 100.338  -8.921  -5.146
    5   HD12  ILE 131          HD12      ILE 131  99.797  -9.408  -3.544
    6   HD13  ILE 131          HD13      ILE 131 101.510  -9.271  -3.875

  No H/Q in entry =           6
  In of MODEL    4
    1    H    SER 132           H        SER 132 103.804 -10.076  -7.501
    2    HA   SER 132           HA       SER 132 105.602 -12.184  -8.442
    3    HB2  SER 132           HB2      SER 132 104.583 -12.592 -10.494
    4    HB3  SER 132           HB3      SER 132 103.187 -12.447  -9.424
    5    HG   SER 132           HG       SER 132 104.270 -10.550 -11.221

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL 133           H        VAL 133 107.081 -11.481 -10.049
    2    HA   VAL 133           HA       VAL 133 107.329  -8.533 -10.332
    3    HB   VAL 133           HB       VAL 133 109.564 -10.516  -9.816

  No H/Q in entry =           3
  In of MODEL    4
    1    H    LYS 134           H        LYS 134 107.818  -7.859 -12.345
    2    HA   LYS 134           HA       LYS 134 107.692  -9.662 -14.515
    3    HB2  LYS 134           HB2      LYS 134 106.612  -7.517 -14.656
    4    HB3  LYS 134           HB3      LYS 134 108.132  -6.749 -14.241
    5    HG2  LYS 134           HG2      LYS 134 107.476  -6.653 -16.696
    6    HG3  LYS 134           HG3      LYS 134 109.106  -7.192 -16.358
    7    HD2  LYS 134           HD2      LYS 134 108.339  -9.547 -16.573
    8    HD3  LYS 134           HD3      LYS 134 106.728  -8.965 -16.987
    9    HE2  LYS 134           HE2      LYS 134 109.187  -8.080 -18.501
   10    HE3  LYS 134           HE3      LYS 134 108.318  -9.556 -18.928
   11    HZ1  LYS 134           HZ1      LYS 134 106.585  -7.303 -18.541
   12    HZ2  LYS 134           HZ2      LYS 134 107.703  -7.062 -19.795
   13    HZ3  LYS 134           HZ3      LYS 134 106.663  -8.403 -19.833

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LYS 135           H        LYS 135 109.849  -7.037 -14.379
    2    HA   LYS 135           HA       LYS 135 112.100  -6.754 -14.463
    3    HB2  LYS 135           HB2      LYS 135 111.992  -9.284 -13.396
    4    HB3  LYS 135           HB3      LYS 135 112.912  -9.559 -14.866
    5    HG2  LYS 135           HG2      LYS 135 113.568  -7.352 -12.915
    6    HG3  LYS 135           HG3      LYS 135 114.214  -8.976 -12.771
    7    HD2  LYS 135           HD2      LYS 135 114.484  -7.305 -15.269
    8    HD3  LYS 135           HD3      LYS 135 115.706  -7.337 -14.012
    9    HE2  LYS 135           HE2      LYS 135 115.296 -10.009 -14.492
   10    HE3  LYS 135           HE3      LYS 135 115.097  -9.334 -16.090
   11    HZ1  LYS 135           HZ1      LYS 135 117.217  -8.022 -15.463
   12    HZ2  LYS 135           HZ2      LYS 135 117.449  -9.273 -14.337
   13    HZ3  LYS 135           HZ3      LYS 135 117.346  -9.633 -15.992

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER 136           H        SER 136 113.061  -6.019 -16.084
    2    HA   SER 136           HA       SER 136 112.118  -6.087 -18.650
    3    HB2  SER 136           HB2      SER 136 113.661  -4.441 -18.780
    4    HB3  SER 136           HB3      SER 136 114.383  -5.000 -17.272
    5    HG   SER 136           HG       SER 136 115.274  -5.243 -19.809

  No H/Q in entry =           5
  In of MODEL    4
    1    H    SER 137           H        SER 137 113.584  -8.706 -17.157
    2    HA   SER 137           HA       SER 137 113.519 -10.260 -19.532
    3    HB2  SER 137           HB2      SER 137 116.001 -10.780 -19.570
    4    HB3  SER 137           HB3      SER 137 115.542  -9.196 -20.179
    5    HG   SER 137           HG       SER 137 117.253  -8.973 -18.749

  No H/Q in entry =           5
  In of MODEL    5
    1    H1   PHE   1           H1       PHE   1  94.075  25.514   3.075
    2    H2   PHE   1           H2       PHE   1  93.444  26.975   3.667
    3    H3   PHE   1           H3       PHE   1  93.352  26.618   2.009
    4    HA   PHE   1           HA       PHE   1  95.480  27.182   1.597
    5    HB2  PHE   1           HB2      PHE   1  94.683  28.647   4.121
    6    HB3  PHE   1           HB3      PHE   1  96.159  29.042   3.244
    7    HD1  PHE   1           HD1      PHE   1  92.451  28.782   2.903
    8    HD2  PHE   1           HD2      PHE   1  96.105  30.315   1.242
    9    HE1  PHE   1           HE1      PHE   1  91.150  30.140   1.287
   10    HE2  PHE   1           HE2      PHE   1  94.803  31.667  -0.375
   11    HZ   PHE   1           HZ       PHE   1  92.326  31.578  -0.355

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ASN   2           H        ASN   2  97.561  27.996   3.334
    2    HA   ASN   2           HA       ASN   2  98.832  25.538   3.820
    3    HB2  ASN   2           HB2      ASN   2  99.587  28.267   4.843
    4    HB3  ASN   2           HB3      ASN   2 100.628  26.849   4.824
    5   HD21  ASN   2          HD21      ASN   2  99.917  25.824   2.227
    6   HD22  ASN   2          HD22      ASN   2 100.484  26.926   1.068

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS   3           H        LYS   3  97.009  27.658   5.961
    2    HA   LYS   3           HA       LYS   3  97.903  26.899   8.432
    3    HB2  LYS   3           HB2      LYS   3  95.577  27.242   9.252
    4    HB3  LYS   3           HB3      LYS   3  96.151  28.537   8.208
    5    HG2  LYS   3           HG2      LYS   3  94.359  28.214   6.837
    6    HG3  LYS   3           HG3      LYS   3  94.925  26.588   6.487
    7    HD2  LYS   3           HD2      LYS   3  93.752  25.780   8.534
    8    HD3  LYS   3           HD3      LYS   3  93.119  27.409   8.782
    9    HE2  LYS   3           HE2      LYS   3  92.106  27.271   6.483
   10    HE3  LYS   3           HE3      LYS   3  92.621  25.584   6.428
   11    HZ1  LYS   3           HZ1      LYS   3  91.392  25.545   8.734
   12    HZ2  LYS   3           HZ2      LYS   3  90.526  26.831   8.038
   13    HZ3  LYS   3           HZ3      LYS   3  90.551  25.316   7.276

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LYS   4           H        LYS   4  95.708  25.039   6.337
    2    HA   LYS   4           HA       LYS   4  95.285  22.948   8.231
    3    HB2  LYS   4           HB2      LYS   4  93.998  23.629   6.009
    4    HB3  LYS   4           HB3      LYS   4  95.079  22.445   5.279
    5    HG2  LYS   4           HG2      LYS   4  93.294  21.906   7.672
    6    HG3  LYS   4           HG3      LYS   4  92.890  21.491   6.014
    7    HD2  LYS   4           HD2      LYS   4  95.161  20.199   6.026
    8    HD3  LYS   4           HD3      LYS   4  95.027  20.332   7.781
    9    HE2  LYS   4           HE2      LYS   4  92.763  19.315   7.683
   10    HE3  LYS   4           HE3      LYS   4  92.953  19.100   5.946
   11    HZ1  LYS   4           HZ1      LYS   4  95.079  17.859   6.590
   12    HZ2  LYS   4           HZ2      LYS   4  94.392  17.765   8.142
   13    HZ3  LYS   4           HZ3      LYS   4  93.591  17.077   6.809

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ALA   5           H        ALA   5  97.597  23.556   5.680
    2    HA   ALA   5           HA       ALA   5  98.804  21.095   5.360
    3    HB1  ALA   5           HB1      ALA   5 100.597  22.280   4.409
    4    HB2  ALA   5           HB2      ALA   5 100.378  23.654   5.475
    5    HB3  ALA   5           HB3      ALA   5  99.228  23.354   4.184

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP   6           H        ASP   6  99.165  23.453   7.871
    2    HA   ASP   6           HA       ASP   6 101.472  22.457   9.104
    3    HB2  ASP   6           HB2      ASP   6  99.102  23.919  10.192
    4    HB3  ASP   6           HB3      ASP   6 100.538  23.555  11.136

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU   7           H        GLU   7  98.018  21.585   9.484
    2    HA   GLU   7           HA       GLU   7  98.367  19.873  11.707
    3    HB2  GLU   7           HB2      GLU   7  96.286  19.458   9.616
    4    HB3  GLU   7           HB3      GLU   7  96.173  19.151  11.346
    5    HG2  GLU   7           HG2      GLU   7  96.440  21.617  11.710
    6    HG3  GLU   7           HG3      GLU   7  96.307  21.832   9.972

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASN   8           H        ASN   8  98.179  19.207   8.276
    2    HA   ASN   8           HA       ASN   8  98.577  16.396   8.437
    3    HB2  ASN   8           HB2      ASN   8  99.386  18.245   6.200
    4    HB3  ASN   8           HB3      ASN   8  99.054  16.522   6.086
    5   HD21  ASN   8          HD21      ASN   8  97.528  17.880   4.396
    6   HD22  ASN   8          HD22      ASN   8  95.953  18.095   4.974

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS   9           H        LYS   9 100.586  19.169   8.242
    2    HA   LYS   9           HA       LYS   9 103.104  17.916   7.892
    3    HB2  LYS   9           HB2      LYS   9 102.954  20.187   7.344
    4    HB3  LYS   9           HB3      LYS   9 102.109  20.552   8.818
    5    HG2  LYS   9           HG2      LYS   9 104.087  20.333  10.125
    6    HG3  LYS   9           HG3      LYS   9 104.975  19.727   8.731
    7    HD2  LYS   9           HD2      LYS   9 104.505  21.935   7.593
    8    HD3  LYS   9           HD3      LYS   9 103.847  22.498   9.128
    9    HE2  LYS   9           HE2      LYS   9 105.966  22.160  10.245
   10    HE3  LYS   9           HE3      LYS   9 106.645  21.394   8.810
   11    HZ1  LYS   9           HZ1      LYS   9 105.534  24.075   8.495
   12    HZ2  LYS   9           HZ2      LYS   9 107.005  23.941   9.336
   13    HZ3  LYS   9           HZ3      LYS   9 106.882  23.360   7.749

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  10           H        VAL  10 101.506  19.208  10.844
    2    HA   VAL  10           HA       VAL  10 103.595  18.335  12.556
    3    HB   VAL  10           HB       VAL  10 100.753  19.143  13.134

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  11           H        LYS  11 100.420  16.925  11.784
    2    HA   LYS  11           HA       LYS  11 100.683  14.728  13.509
    3    HB2  LYS  11           HB2      LYS  11  99.063  15.213  11.051
    4    HB3  LYS  11           HB3      LYS  11  99.117  13.626  11.777
    5    HG2  LYS  11           HG2      LYS  11  97.203  14.753  12.691
    6    HG3  LYS  11           HG3      LYS  11  98.417  14.608  13.948
    7    HD2  LYS  11           HD2      LYS  11  99.120  17.032  13.042
    8    HD3  LYS  11           HD3      LYS  11  97.462  17.055  12.490
    9    HE2  LYS  11           HE2      LYS  11  97.856  18.026  14.780
   10    HE3  LYS  11           HE3      LYS  11  96.637  16.754  14.735
   11    HZ1  LYS  11           HZ1      LYS  11  99.398  15.952  15.217
   12    HZ2  LYS  11           HZ2      LYS  11  98.630  16.800  16.468
   13    HZ3  LYS  11           HZ3      LYS  11  97.958  15.349  15.891

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLY  12           H        GLY  12 101.650  15.406  10.234
    2    HA2  GLY  12           HA2      GLY  12 102.948  14.243   8.708
    3    HA3  GLY  12           HA3      GLY  12 102.629  12.796   9.633

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  13           H        GLU  13 104.254  15.798  10.660
    2    HA   GLU  13           HA       GLU  13 106.887  14.773  10.500
    3    HB2  GLU  13           HB2      GLU  13 105.646  16.933  12.201
    4    HB3  GLU  13           HB3      GLU  13 107.340  16.495  12.380
    5    HG2  GLU  13           HG2      GLU  13 107.739  16.972  10.015
    6    HG3  GLU  13           HG3      GLU  13 106.047  17.393   9.799

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  14           H        ALA  14 104.365  14.530  12.858
    2    HA   ALA  14           HA       ALA  14 105.923  13.320  14.904
    3    HB1  ALA  14           HB1      ALA  14 103.797  14.610  15.276
    4    HB2  ALA  14           HB2      ALA  14 102.925  13.256  14.555
    5    HB3  ALA  14           HB3      ALA  14 103.827  13.027  16.049

  No H/Q in entry =           5
  In of MODEL    5
    1    H    PHE  15           H        PHE  15 103.858  12.281  12.302
    2    HA   PHE  15           HA       PHE  15 103.549   9.566  12.922
    3    HB2  PHE  15           HB2      PHE  15 102.315  10.923  11.224
    4    HB3  PHE  15           HB3      PHE  15 103.752  10.889  10.218
    5    HD1  PHE  15           HD1      PHE  15 104.255   9.041   8.874
    6    HD2  PHE  15           HD2      PHE  15 101.180   8.770  11.845
    7    HE1  PHE  15           HE1      PHE  15 103.455   6.927   7.861
    8    HE2  PHE  15           HE2      PHE  15 100.412   6.627  10.868
    9    HZ   PHE  15           HZ       PHE  15 101.553   5.711   8.870

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LEU  16           H        LEU  16 105.968  11.179  10.851
    2    HA   LEU  16           HA       LEU  16 107.387   8.740  10.336
    3    HB2  LEU  16           HB2      LEU  16 108.214  11.636  10.058
    4    HB3  LEU  16           HB3      LEU  16 109.268  10.297   9.648
    5    HG   LEU  16           HG       LEU  16 107.175   9.513   8.191
    6   HD11  LEU  16          HD11      LEU  16 106.705  12.464   8.643
    7   HD12  LEU  16          HD12      LEU  16 106.243  11.713   7.120
    8   HD13  LEU  16          HD13      LEU  16 105.534  11.149   8.636
    9   HD21  LEU  16          HD21      LEU  16 109.265  11.579   7.556
   10   HD22  LEU  16          HD22      LEU  16 109.236   9.865   7.167
   11   HD23  LEU  16          HD23      LEU  16 108.168  10.972   6.319

  No H/Q in entry =          11
  In of MODEL    5
    1    H    THR  17           H        THR  17 107.634  11.313  12.677
    2    HA   THR  17           HA       THR  17 110.082  10.545  13.838
    3    HB   THR  17           HB       THR  17 107.735  11.837  15.228
    4    HG1  THR  17           HG1      THR  17 108.175  13.356  13.850
    5   HG21  THR  17          HG21      THR  17 110.679  11.656  15.827
    6   HG22  THR  17          HG22      THR  17 109.590  12.810  16.599
    7   HG23  THR  17          HG23      THR  17 109.336  11.084  16.819

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  18           H        GLU  18 106.749   9.600  14.517
    2    HA   GLU  18           HA       GLU  18 107.476   7.857  16.637
    3    HB2  GLU  18           HB2      GLU  18 105.285   8.986  16.558
    4    HB3  GLU  18           HB3      GLU  18 104.887   8.037  15.132
    5    HG2  GLU  18           HG2      GLU  18 105.096   5.961  16.394
    6    HG3  GLU  18           HG3      GLU  18 105.596   6.857  17.827

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASN  19           H        ASN  19 106.479   7.397  13.262
    2    HA   ASN  19           HA       ASN  19 106.356   4.606  13.308
    3    HB2  ASN  19           HB2      ASN  19 105.502   5.999  11.475
    4    HB3  ASN  19           HB3      ASN  19 107.158   6.319  10.974
    5   HD21  ASN  19          HD21      ASN  19 107.626   5.019   9.220
    6   HD22  ASN  19          HD22      ASN  19 107.189   3.390   9.080

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  20           H        LYS  20 109.150   6.634  12.496
    2    HA   LYS  20           HA       LYS  20 110.819   4.513  11.724
    3    HB2  LYS  20           HB2      LYS  20 112.698   5.997  12.247
    4    HB3  LYS  20           HB3      LYS  20 111.447   6.854  11.360
    5    HG2  LYS  20           HG2      LYS  20 110.549   7.552  13.682
    6    HG3  LYS  20           HG3      LYS  20 112.096   6.983  14.306
    7    HD2  LYS  20           HD2      LYS  20 111.833   9.039  12.090
    8    HD3  LYS  20           HD3      LYS  20 112.076   9.447  13.791
    9    HE2  LYS  20           HE2      LYS  20 114.142   7.949  13.714
   10    HE3  LYS  20           HE3      LYS  20 113.946   7.963  11.967
   11    HZ1  LYS  20           HZ1      LYS  20 113.772  10.533  12.403
   12    HZ2  LYS  20           HZ2      LYS  20 114.712  10.131  13.755
   13    HZ3  LYS  20           HZ3      LYS  20 115.270   9.761  12.192

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ASN  21           H        ASN  21 109.866   5.710  14.856
    2    HA   ASN  21           HA       ASN  21 111.791   4.118  16.310
    3    HB2  ASN  21           HB2      ASN  21 109.571   5.986  17.032
    4    HB3  ASN  21           HB3      ASN  21 110.202   4.902  18.261
    5   HD21  ASN  21          HD21      ASN  21 110.891   7.776  16.379
    6   HD22  ASN  21          HD22      ASN  21 112.384   8.120  17.111

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  22           H        LYS  22 108.501   3.733  15.214
    2    HA   LYS  22           HA       LYS  22 107.684   1.813  17.012
    3    HB2  LYS  22           HB2      LYS  22 106.926   2.381  14.190
    4    HB3  LYS  22           HB3      LYS  22 106.180   1.047  15.052
    5    HG2  LYS  22           HG2      LYS  22 105.823   2.991  16.915
    6    HG3  LYS  22           HG3      LYS  22 105.878   3.993  15.481
    7    HD2  LYS  22           HD2      LYS  22 104.054   1.596  15.788
    8    HD3  LYS  22           HD3      LYS  22 103.565   3.261  16.100
    9    HE2  LYS  22           HE2      LYS  22 104.065   3.890  13.805
   10    HE3  LYS  22           HE3      LYS  22 104.704   2.278  13.477
   11    HZ1  LYS  22           HZ1      LYS  22 102.160   1.948  14.541
   12    HZ2  LYS  22           HZ2      LYS  22 102.029   3.164  13.366
   13    HZ3  LYS  22           HZ3      LYS  22 102.667   1.645  12.948

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  23           HA       PRO  23 110.106  -1.832  16.220
    2    HB2  PRO  23           HB2      PRO  23 107.601  -3.440  16.379
    3    HB3  PRO  23           HB3      PRO  23 109.104  -3.595  17.306
    4    HG2  PRO  23           HG2      PRO  23 106.891  -2.561  18.386
    5    HG3  PRO  23           HG3      PRO  23 108.508  -1.962  18.801
    6    HD2  PRO  23           HD2      PRO  23 106.425  -0.694  17.059
    7    HD3  PRO  23           HD3      PRO  23 107.622   0.047  18.144

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  24           H        GLY  24 110.665  -3.261  14.609
    2    HA2  GLY  24           HA2      GLY  24 108.919  -4.061  12.495
    3    HA3  GLY  24           HA3      GLY  24 110.644  -4.385  12.603

  No H/Q in entry =           3
  In of MODEL    5
    1    H    VAL  25           H        VAL  25 109.696  -1.086  12.885
    2    HA   VAL  25           HA       VAL  25 109.864  -0.562  10.030
    3    HB   VAL  25           HB       VAL  25 109.787   1.372  12.358

  No H/Q in entry =           3
  In of MODEL    5
    1    H    VAL  26           H        VAL  26 111.597   0.155   8.952
    2    HA   VAL  26           HA       VAL  26 114.069   0.832  10.459
    3    HB   VAL  26           HB       VAL  26 113.760  -0.723   7.881

  No H/Q in entry =           3
  In of MODEL    5
    1    H    VAL  27           H        VAL  27 114.624   2.899  10.137
    2    HA   VAL  27           HA       VAL  27 113.399   4.337   7.927
    3    HB   VAL  27           HB       VAL  27 113.157   5.350  10.119

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  28           H        LEU  28 114.380   5.559   6.445
    2    HA   LEU  28           HA       LEU  28 117.227   4.890   6.006
    3    HB2  LEU  28           HB2      LEU  28 115.084   5.585   3.996
    4    HB3  LEU  28           HB3      LEU  28 116.749   5.270   3.598
    5    HG   LEU  28           HG       LEU  28 114.884   3.283   4.900
    6   HD11  LEU  28          HD11      LEU  28 114.473   3.958   2.464
    7   HD12  LEU  28          HD12      LEU  28 116.043   3.266   2.114
    8   HD13  LEU  28          HD13      LEU  28 114.759   2.246   2.748
    9   HD21  LEU  28          HD21      LEU  28 117.780   3.196   4.024
   10   HD22  LEU  28          HD22      LEU  28 117.102   2.719   5.578
   11   HD23  LEU  28          HD23      LEU  28 116.811   1.734   4.153

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   PRO  29           HA       PRO  29 118.399   9.097   6.090
    2    HB2  PRO  29           HB2      PRO  29 119.652   8.894   3.406
    3    HB3  PRO  29           HB3      PRO  29 120.390   9.347   4.953
    4    HG2  PRO  29           HG2      PRO  29 120.861   6.979   3.867
    5    HG3  PRO  29           HG3      PRO  29 120.643   7.137   5.621
    6    HD2  PRO  29           HD2      PRO  29 118.701   6.184   3.554
    7    HD3  PRO  29           HD3      PRO  29 119.031   5.514   5.160

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  30           H        SER  30 116.911   7.953   3.130
    2    HA   SER  30           HA       SER  30 116.225  10.501   2.073
    3    HB2  SER  30           HB2      SER  30 114.757   7.906   1.558
    4    HB3  SER  30           HB3      SER  30 114.890   9.309   0.496
    5    HG   SER  30           HG       SER  30 116.806   7.359   1.160

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  31           H        GLY  31 115.150   8.753   4.712
    2    HA2  GLY  31           HA2      GLY  31 112.850  10.524   5.083
    3    HA3  GLY  31           HA3      GLY  31 113.596   9.513   6.311

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU  32           H        LEU  32 113.373   7.681   3.581
    2    HA   LEU  32           HA       LEU  32 110.605   6.931   3.818
    3    HB2  LEU  32           HB2      LEU  32 111.785   6.841   1.643
    4    HB3  LEU  32           HB3      LEU  32 112.864   5.622   2.273
    5    HG   LEU  32           HG       LEU  32 110.906   4.861   0.778
    6   HD11  LEU  32          HD11      LEU  32 112.286   3.369   2.220
    7   HD12  LEU  32          HD12      LEU  32 111.035   3.479   3.436
    8   HD13  LEU  32          HD13      LEU  32 110.671   2.785   1.870
    9   HD21  LEU  32          HD21      LEU  32 109.217   6.235   1.940
   10   HD22  LEU  32          HD22      LEU  32 108.753   4.550   1.803
   11   HD23  LEU  32          HD23      LEU  32 109.321   5.176   3.340

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLN  33           H        GLN  33 109.811   5.276   5.015
    2    HA   GLN  33           HA       GLN  33 111.727   3.575   6.506
    3    HB2  GLN  33           HB2      GLN  33 109.072   4.712   7.368
    4    HB3  GLN  33           HB3      GLN  33 110.031   3.584   8.298
    5    HG2  GLN  33           HG2      GLN  33 111.020   5.414   9.206
    6    HG3  GLN  33           HG3      GLN  33 111.843   5.564   7.680
    7   HE21  GLN  33          HE21      GLN  33 111.445   7.821   9.176
    8   HE22  GLN  33          HE22      GLN  33 110.334   8.793   8.353

  No H/Q in entry =           8
  In of MODEL    5
    1    H    TYR  34           H        TYR  34 111.359   1.409   6.548
    2    HA   TYR  34           HA       TYR  34 108.796   0.438   5.503
    3    HB2  TYR  34           HB2      TYR  34 109.867  -1.277   4.174
    4    HB3  TYR  34           HB3      TYR  34 110.373   0.315   3.632
    5    HD1  TYR  34           HD1      TYR  34 111.355  -2.549   5.762
    6    HD2  TYR  34           HD2      TYR  34 112.679   0.927   3.632
    7    HE1  TYR  34           HE1      TYR  34 113.712  -3.234   6.122
    8    HE2  TYR  34           HE2      TYR  34 115.036   0.249   3.995
    9    HH   TYR  34           HH       TYR  34 116.322  -1.144   5.601

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS  35           H        LYS  35 108.048  -1.429   6.233
    2    HA   LYS  35           HA       LYS  35 109.535  -2.695   8.424
    3    HB2  LYS  35           HB2      LYS  35 107.783  -1.179   9.281
    4    HB3  LYS  35           HB3      LYS  35 106.570  -2.070   8.399
    5    HG2  LYS  35           HG2      LYS  35 108.322  -3.711  10.089
    6    HG3  LYS  35           HG3      LYS  35 107.338  -2.582  10.994
    7    HD2  LYS  35           HD2      LYS  35 105.334  -3.450   9.836
    8    HD3  LYS  35           HD3      LYS  35 106.353  -4.620   8.996
    9    HE2  LYS  35           HE2      LYS  35 105.291  -5.598  11.005
   10    HE3  LYS  35           HE3      LYS  35 107.041  -5.585  11.118
   11    HZ1  LYS  35           HZ1      LYS  35 105.911  -3.179  12.128
   12    HZ2  LYS  35           HZ2      LYS  35 105.283  -4.535  12.931
   13    HZ3  LYS  35           HZ3      LYS  35 106.961  -4.282  12.884

  No H/Q in entry =          13
  In of MODEL    5
    1    H    VAL  36           H        VAL  36 109.523  -4.816   8.410
    2    HA   VAL  36           HA       VAL  36 108.257  -6.116   6.105
    3    HB   VAL  36           HB       VAL  36 110.579  -6.550   6.347

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ILE  37           H        ILE  37 106.238  -6.646   6.412
    2    HA   ILE  37           HA       ILE  37 105.147  -7.542   8.915
    3    HB   ILE  37           HB       ILE  37 103.936  -8.069   6.198
    4   HD11  ILE  37          HD11      ILE  37 104.277  -5.607   8.874
    5   HD12  ILE  37          HD12      ILE  37 104.156  -4.184   7.874
    6   HD13  ILE  37          HD13      ILE  37 102.705  -5.058   8.356

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASN  38           H        ASN  38 106.227  -9.050   5.943
    2    HA   ASN  38           HA       ASN  38 106.521 -11.624   7.323
    3    HB2  ASN  38           HB2      ASN  38 104.979 -11.164   4.791
    4    HB3  ASN  38           HB3      ASN  38 105.489 -12.736   5.330
    5   HD21  ASN  38          HD21      ASN  38 103.334 -10.024   6.112
    6   HD22  ASN  38          HD22      ASN  38 102.395 -10.877   7.240

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER  39           H        SER  39 108.463 -12.473   6.859
    2    HA   SER  39           HA       SER  39 110.091 -11.295   4.753
    3    HB2  SER  39           HB2      SER  39 111.902 -12.402   5.702
    4    HB3  SER  39           HB3      SER  39 110.912 -11.977   7.094
    5    HG   SER  39           HG       SER  39 111.724 -14.369   6.357

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  40           H        GLY  40 110.312 -12.094   2.788
    2    HA2  GLY  40           HA2      GLY  40 109.258 -13.510   1.097
    3    HA3  GLY  40           HA3      GLY  40 109.419 -14.855   2.219

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASN  41           H        ASN  41 111.790 -12.339   1.595
    2    HA   ASN  41           HA       ASN  41 113.922 -12.379   0.758
    3    HB2  ASN  41           HB2      ASN  41 113.824 -15.269   1.616
    4    HB3  ASN  41           HB3      ASN  41 115.271 -14.292   1.362
    5   HD21  ASN  41          HD21      ASN  41 112.955 -12.238   2.645
    6   HD22  ASN  41          HD22      ASN  41 113.361 -12.372   4.290

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  42           H        GLY  42 111.679 -13.016  -1.050
    2    HA2  GLY  42           HA2      GLY  42 111.238 -14.146  -3.053
    3    HA3  GLY  42           HA3      GLY  42 112.792 -14.950  -2.927

  No H/Q in entry =           3
  In of MODEL    5
    1    H    VAL  43           H        VAL  43 111.791 -13.840  -5.228
    2    HA   VAL  43           HA       VAL  43 113.943 -12.173  -6.046
    3    HB   VAL  43           HB       VAL  43 112.900 -12.162  -8.224

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  44           H        LYS  44 113.140 -10.226  -7.513
    2    HA   LYS  44           HA       LYS  44 111.029  -8.609  -6.806
    3    HB2  LYS  44           HB2      LYS  44 111.810  -7.012  -5.230
    4    HB3  LYS  44           HB3      LYS  44 112.114  -8.569  -4.533
    5    HG2  LYS  44           HG2      LYS  44 114.342  -7.313  -6.104
    6    HG3  LYS  44           HG3      LYS  44 113.964  -6.643  -4.531
    7    HD2  LYS  44           HD2      LYS  44 114.203  -9.623  -4.677
    8    HD3  LYS  44           HD3      LYS  44 115.692  -8.699  -4.837
    9    HE2  LYS  44           HE2      LYS  44 115.453  -7.749  -2.672
   10    HE3  LYS  44           HE3      LYS  44 113.750  -8.162  -2.573
   11    HZ1  LYS  44           HZ1      LYS  44 115.813 -10.250  -2.857
   12    HZ2  LYS  44           HZ2      LYS  44 115.433  -9.608  -1.332
   13    HZ3  LYS  44           HZ3      LYS  44 114.238 -10.389  -2.252

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  45           HA       PRO  45 112.855  -6.528 -10.202
    2    HB2  PRO  45           HB2      PRO  45 111.286  -4.304 -10.324
    3    HB3  PRO  45           HB3      PRO  45 110.704  -5.921 -10.706
    4    HG2  PRO  45           HG2      PRO  45 110.130  -4.224  -8.377
    5    HG3  PRO  45           HG3      PRO  45 109.258  -5.619  -9.014
    6    HD2  PRO  45           HD2      PRO  45 111.062  -5.559  -6.776
    7    HD3  PRO  45           HD3      PRO  45 110.100  -6.926  -7.400

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  46           H        GLY  46 113.924  -4.697 -11.064
    2    HA2  GLY  46           HA2      GLY  46 115.816  -3.279 -10.765
    3    HA3  GLY  46           HA3      GLY  46 115.384  -3.126  -9.057

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  47           H        LYS  47 115.765  -0.888  -9.795
    2    HA   LYS  47           HA       LYS  47 113.558   0.689  -9.695
    3    HB2  LYS  47           HB2      LYS  47 114.967   2.509 -10.482
    4    HB3  LYS  47           HB3      LYS  47 115.895   1.459  -9.413
    5    HG2  LYS  47           HG2      LYS  47 115.945   1.318 -12.460
    6    HG3  LYS  47           HG3      LYS  47 117.198   2.047 -11.459
    7    HD2  LYS  47           HD2      LYS  47 117.318  -0.262 -10.285
    8    HD3  LYS  47           HD3      LYS  47 116.427  -0.861 -11.677
    9    HE2  LYS  47           HE2      LYS  47 118.677  -1.224 -12.126
   10    HE3  LYS  47           HE3      LYS  47 118.220   0.161 -13.120
   11    HZ1  LYS  47           HZ1      LYS  47 119.294   0.595 -10.416
   12    HZ2  LYS  47           HZ2      LYS  47 120.370   0.264 -11.689
   13    HZ3  LYS  47           HZ3      LYS  47 119.353   1.620 -11.769

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  48           H        SER  48 114.829  -0.993 -12.427
    2    HA   SER  48           HA       SER  48 113.019   0.520 -14.234
    3    HB2  SER  48           HB2      SER  48 115.501  -1.107 -14.696
    4    HB3  SER  48           HB3      SER  48 114.450  -0.612 -16.022
    5    HG   SER  48           HG       SER  48 114.813   1.501 -14.500

  No H/Q in entry =           5
  In of MODEL    5
    1    H    ASP  49           H        ASP  49 113.127  -2.524 -12.641
    2    HA   ASP  49           HA       ASP  49 111.717  -3.903 -14.829
    3    HB2  ASP  49           HB2      ASP  49 112.515  -4.749 -12.074
    4    HB3  ASP  49           HB3      ASP  49 111.487  -5.736 -13.076

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR  50           H        THR  50 109.569  -4.969 -14.298
    2    HA   THR  50           HA       THR  50 107.883  -2.979 -12.912
    3    HB   THR  50           HB       THR  50 106.887  -5.018 -14.874
    4    HG1  THR  50           HG1      THR  50 106.915  -3.092 -16.282
    5   HG21  THR  50          HG21      THR  50 105.801  -2.481 -13.731
    6   HG22  THR  50          HG22      THR  50 105.125  -3.258 -15.152
    7   HG23  THR  50          HG23      THR  50 105.128  -4.112 -13.611

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  51           H        VAL  51 106.340  -3.589 -11.443
    2    HA   VAL  51           HA       VAL  51 106.750  -6.302 -10.313
    3    HB   VAL  51           HB       VAL  51 107.769  -4.303  -9.134

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  52           H        THR  52 105.029  -7.146  -8.991
    2    HA   THR  52           HA       THR  52 102.338  -6.027  -9.635
    3    HB   THR  52           HB       THR  52 103.151  -8.938  -9.532
    4    HG1  THR  52           HG1      THR  52 103.261  -8.838 -11.630
    5   HG21  THR  52          HG21      THR  52 100.527  -7.530  -9.836
    6   HG22  THR  52          HG22      THR  52 100.783  -9.115 -10.551
    7   HG23  THR  52          HG23      THR  52 100.944  -8.916  -8.821

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  53           H        VAL  53 101.379  -5.426  -7.739
    2    HA   VAL  53           HA       VAL  53 101.760  -7.098  -5.322
    3    HB   VAL  53           HB       VAL  53 102.509  -5.227  -4.006

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLU  54           H        GLU  54 100.392  -6.411  -3.459
    2    HA   GLU  54           HA       GLU  54  97.935  -4.926  -4.286
    3    HB2  GLU  54           HB2      GLU  54  97.897  -6.957  -2.033
    4    HB3  GLU  54           HB3      GLU  54  96.575  -6.233  -2.924
    5    HG2  GLU  54           HG2      GLU  54  96.709  -7.680  -4.658
    6    HG3  GLU  54           HG3      GLU  54  98.424  -7.903  -4.531

  No H/Q in entry =           6
  In of MODEL    5
    1    H    TYR  55           H        TYR  55  97.113  -3.445  -2.568
    2    HA   TYR  55           HA       TYR  55  98.697  -3.220  -0.154
    3    HB2  TYR  55           HB2      TYR  55  99.488  -0.913  -0.811
    4    HB3  TYR  55           HB3      TYR  55 100.204  -2.223  -1.759
    5    HD1  TYR  55           HD1      TYR  55  97.603   0.421  -1.758
    6    HD2  TYR  55           HD2      TYR  55  99.656  -2.545  -4.074
    7    HE1  TYR  55           HE1      TYR  55  96.590   1.340  -3.819
    8    HE2  TYR  55           HE2      TYR  55  98.630  -1.635  -6.128
    9    HH   TYR  55           HH       TYR  55  96.363  -0.229  -6.604

  No H/Q in entry =           9
  In of MODEL    5
    1    H    THR  56           H        THR  56  98.116  -1.437   1.244
    2    HA   THR  56           HA       THR  56  95.554  -0.161   0.637
    3    HB   THR  56           HB       THR  56  96.272  -1.515   3.185
    4    HG1  THR  56           HG1      THR  56  94.442  -1.729   1.213
    5   HG21  THR  56          HG21      THR  56  94.290   0.747   2.825
    6   HG22  THR  56          HG22      THR  56  94.353  -0.303   4.239
    7   HG23  THR  56          HG23      THR  56  95.703   0.768   3.875

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  57           H        GLY  57  95.580   1.973   0.682
    2    HA2  GLY  57           HA2      GLY  57  97.102   3.888   0.520
    3    HA3  GLY  57           HA3      GLY  57  97.975   3.250   1.907

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ARG  58           H        ARG  58  97.747   4.827   3.438
    2    HA   ARG  58           HA       ARG  58  95.157   6.091   3.763
    3    HB2  ARG  58           HB2      ARG  58  94.760   5.486   5.975
    4    HB3  ARG  58           HB3      ARG  58  95.208   3.978   5.191
    5    HG2  ARG  58           HG2      ARG  58  97.453   4.080   6.097
    6    HG3  ARG  58           HG3      ARG  58  97.193   5.693   6.744
    7    HD2  ARG  58           HD2      ARG  58  96.836   4.437   8.636
    8    HD3  ARG  58           HD3      ARG  58  95.201   4.524   8.013
    9    HE   ARG  58           HE       ARG  58  96.984   2.215   7.461
   10   HH11  ARG  58          HH11      ARG  58  93.874   3.518   8.356
   11   HH12  ARG  58          HH12      ARG  58  93.132   1.964   8.489
   12   HH21  ARG  58          HH21      ARG  58  95.992   0.208   7.649
   13   HH22  ARG  58          HH22      ARG  58  94.323   0.096   8.098

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  59           H        LEU  59  95.136   7.732   5.420
    2    HA   LEU  59           HA       LEU  59  97.477   9.439   5.205
    3    HB2  LEU  59           HB2      LEU  59  94.646   9.683   5.973
    4    HB3  LEU  59           HB3      LEU  59  95.697  10.751   6.864
    5    HG   LEU  59           HG       LEU  59  96.628  11.408   4.511
    6   HD11  LEU  59          HD11      LEU  59  93.947  10.241   3.791
    7   HD12  LEU  59          HD12      LEU  59  94.912  11.246   2.757
    8   HD13  LEU  59          HD13      LEU  59  95.494   9.667   3.241
    9   HD21  LEU  59          HD21      LEU  59  95.168  12.812   6.062
   10   HD22  LEU  59          HD22      LEU  59  95.061  13.191   4.353
   11   HD23  LEU  59          HD23      LEU  59  93.794  12.262   5.120

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE  60           H        ILE  60  98.289  10.543   7.127
    2    HA   ILE  60           HA       ILE  60  99.258   8.783   9.114
    3    HB   ILE  60           HB       ILE  60 100.176  10.700  10.153
    4   HD11  ILE  60          HD11      ILE  60  98.758  12.751   7.386
    5   HD12  ILE  60          HD12      ILE  60  97.327  11.923   7.995
    6   HD13  ILE  60          HD13      ILE  60  97.599  13.595   8.412

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ASP  61           H        ASP  61  96.430  10.601   8.781
    2    HA   ASP  61           HA       ASP  61  95.654  10.487  11.589
    3    HB2  ASP  61           HB2      ASP  61  95.366  12.510  10.090
    4    HB3  ASP  61           HB3      ASP  61  94.095  11.604   9.261

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLY  62           H        GLY  62  95.554   8.325   9.137
    2    HA2  GLY  62           HA2      GLY  62  93.286   6.921  10.336
    3    HA3  GLY  62           HA3      GLY  62  94.477   6.252   9.252

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  63           H        THR  63  93.422   9.169   7.941
    2    HA   THR  63           HA       THR  63  90.923   8.296   6.822
    3    HB   THR  63           HB       THR  63  92.707  10.393   5.611
    4    HG1  THR  63           HG1      THR  63  91.615  11.821   7.050
    5   HG21  THR  63          HG21      THR  63  90.553   9.550   4.520
    6   HG22  THR  63          HG22      THR  63  89.725  10.331   5.857
    7   HG23  THR  63          HG23      THR  63  90.707  11.290   4.752

  No H/Q in entry =           7
  In of MODEL    5
    1    H    VAL  64           H        VAL  64  90.906   6.479   5.639
    2    HA   VAL  64           HA       VAL  64  93.068   5.736   3.918
    3    HB   VAL  64           HB       VAL  64  90.298   4.592   4.157

  No H/Q in entry =           3
  In of MODEL    5
    1    H    PHE  65           H        PHE  65  93.522   6.429   2.015
    2    HA   PHE  65           HA       PHE  65  91.368   7.726   0.450
    3    HB2  PHE  65           HB2      PHE  65  93.016   9.095  -0.575
    4    HB3  PHE  65           HB3      PHE  65  93.292   9.143   1.162
    5    HD1  PHE  65           HD1      PHE  65  95.057   7.690   2.160
    6    HD2  PHE  65           HD2      PHE  65  94.768   8.360  -2.062
    7    HE1  PHE  65           HE1      PHE  65  97.449   7.080   1.900
    8    HE2  PHE  65           HE2      PHE  65  97.162   7.748  -2.315
    9    HZ   PHE  65           HZ       PHE  65  98.491   7.131  -0.324

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP  66           H        ASP  66  93.474   5.066   0.524
    2    HA   ASP  66           HA       ASP  66  92.486   4.198  -2.058
    3    HB2  ASP  66           HB2      ASP  66  94.535   5.583  -2.544
    4    HB3  ASP  66           HB3      ASP  66  95.473   4.398  -1.640

  No H/Q in entry =           4
  In of MODEL    5
    1    H    SER  67           H        SER  67  92.614   1.974  -2.370
    2    HA   SER  67           HA       SER  67  94.035   0.341  -0.472
    3    HB2  SER  67           HB2      SER  67  92.127  -0.815   0.411
    4    HB3  SER  67           HB3      SER  67  91.974   0.906   0.739
    5    HG   SER  67           HG       SER  67  90.384  -0.720  -0.734

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  68           H        THR  68  94.174  -1.875  -1.007
    2    HA   THR  68           HA       THR  68  92.920  -2.793  -3.475
    3    HB   THR  68           HB       THR  68  95.922  -2.478  -3.313
    4    HG1  THR  68           HG1      THR  68  94.249  -1.336  -5.243
    5   HG21  THR  68          HG21      THR  68  94.095  -3.674  -5.398
    6   HG22  THR  68          HG22      THR  68  95.773  -3.239  -5.707
    7   HG23  THR  68          HG23      THR  68  95.394  -4.483  -4.526

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  69           H        GLU  69  95.264  -3.360  -0.902
    2    HA   GLU  69           HA       GLU  69  95.435  -6.159  -1.279
    3    HB2  GLU  69           HB2      GLU  69  96.415  -6.224   0.948
    4    HB3  GLU  69           HB3      GLU  69  97.142  -5.012  -0.092
    5    HG2  GLU  69           HG2      GLU  69  96.868  -3.873   1.908
    6    HG3  GLU  69           HG3      GLU  69  95.513  -3.378   0.921

  No H/Q in entry =           6
  In of MODEL    5
    1    H    LYS  70           H        LYS  70  93.131  -4.118   0.255
    2    HA   LYS  70           HA       LYS  70  91.895  -5.943   1.958
    3    HB2  LYS  70           HB2      LYS  70  90.693  -3.702   0.339
    4    HB3  LYS  70           HB3      LYS  70  89.882  -4.517   1.679
    5    HG2  LYS  70           HG2      LYS  70  92.560  -3.161   1.905
    6    HG3  LYS  70           HG3      LYS  70  91.045  -2.348   2.286
    7    HD2  LYS  70           HD2      LYS  70  90.623  -4.358   3.891
    8    HD3  LYS  70           HD3      LYS  70  92.346  -4.679   3.706
    9    HE2  LYS  70           HE2      LYS  70  92.909  -2.468   4.481
   10    HE3  LYS  70           HE3      LYS  70  91.205  -2.027   4.598
   11    HZ1  LYS  70           HZ1      LYS  70  91.402  -4.340   6.023
   12    HZ2  LYS  70           HZ2      LYS  70  92.834  -3.516   6.420
   13    HZ3  LYS  70           HZ3      LYS  70  91.325  -2.777   6.676

  No H/Q in entry =          13
  In of MODEL    5
    1    H    THR  71           H        THR  71  91.607  -5.307  -1.452
    2    HA   THR  71           HA       THR  71  89.613  -7.368  -1.891
    3    HB   THR  71           HB       THR  71  90.140  -6.818  -4.337
    4    HG1  THR  71           HG1      THR  71  91.788  -5.601  -4.644
    5   HG21  THR  71          HG21      THR  71  89.065  -4.835  -2.341
    6   HG22  THR  71          HG22      THR  71  89.114  -4.447  -4.061
    7   HG23  THR  71          HG23      THR  71  88.177  -5.831  -3.496

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  72           H        GLY  72  93.046  -6.936  -1.916
    2    HA2  GLY  72           HA2      GLY  72  93.535  -9.748  -2.049
    3    HA3  GLY  72           HA3      GLY  72  94.745  -8.480  -1.910

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS  73           H        LYS  73  93.309  -7.236  -4.349
    2    HA   LYS  73           HA       LYS  73  94.239  -9.072  -6.441
    3    HB2  LYS  73           HB2      LYS  73  92.307  -6.822  -6.282
    4    HB3  LYS  73           HB3      LYS  73  93.139  -6.995  -7.823
    5    HG2  LYS  73           HG2      LYS  73  91.251  -8.305  -8.148
    6    HG3  LYS  73           HG3      LYS  73  92.423  -9.514  -7.653
    7    HD2  LYS  73           HD2      LYS  73  91.523  -8.974  -5.223
    8    HD3  LYS  73           HD3      LYS  73  90.129  -8.343  -6.094
    9    HE2  LYS  73           HE2      LYS  73  89.856 -10.712  -5.437
   10    HE3  LYS  73           HE3      LYS  73  89.797 -10.501  -7.186
   11    HZ1  LYS  73           HZ1      LYS  73  92.258 -11.235  -5.699
   12    HZ2  LYS  73           HZ2      LYS  73  91.214 -12.378  -6.402
   13    HZ3  LYS  73           HZ3      LYS  73  92.025 -11.254  -7.381

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  74           HA       PRO  74  98.010  -6.666  -6.443
    2    HB2  PRO  74           HB2      PRO  74  98.671  -8.309  -8.830
    3    HB3  PRO  74           HB3      PRO  74  99.592  -8.049  -7.335
    4    HG2  PRO  74           HG2      PRO  74  98.353 -10.343  -7.781
    5    HG3  PRO  74           HG3      PRO  74  98.368  -9.614  -6.171
    6    HD2  PRO  74           HD2      PRO  74  96.188  -9.594  -8.220
    7    HD3  PRO  74           HD3      PRO  74  96.129  -9.907  -6.476

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  75           H        ALA  75  99.037  -5.123  -7.661
    2    HA   ALA  75           HA       ALA  75  97.730  -4.247 -10.172
    3    HB1  ALA  75           HB1      ALA  75  97.308  -2.881  -7.960
    4    HB2  ALA  75           HB2      ALA  75  97.644  -2.036  -9.468
    5    HB3  ALA  75           HB3      ALA  75  98.926  -2.260  -8.277

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  76           H        THR  76  99.224  -3.276 -11.715
    2    HA   THR  76           HA       THR  76 102.022  -4.029 -11.178
    3    HB   THR  76           HB       THR  76 101.274  -5.150 -13.084
    4    HG1  THR  76           HG1      THR  76 103.200  -3.517 -13.191
    5   HG21  THR  76          HG21      THR  76  99.225  -3.778 -13.442
    6   HG22  THR  76          HG22      THR  76 100.232  -2.502 -14.119
    7   HG23  THR  76          HG23      THR  76 100.112  -4.058 -14.939

  No H/Q in entry =           7
  In of MODEL    5
    1    H    PHE  77           H        PHE  77 103.657  -2.685 -11.155
    2    HA   PHE  77           HA       PHE  77 103.354   0.047 -12.204
    3    HB2  PHE  77           HB2      PHE  77 104.427  -0.582  -9.469
    4    HB3  PHE  77           HB3      PHE  77 104.398   0.980 -10.189
    5    HD1  PHE  77           HD1      PHE  77 102.789  -0.988  -7.926
    6    HD2  PHE  77           HD2      PHE  77 101.948   1.596 -11.240
    7    HE1  PHE  77           HE1      PHE  77 100.467  -0.660  -7.104
    8    HE2  PHE  77           HE2      PHE  77  99.665   1.929 -10.443
    9    HZ   PHE  77           HZ       PHE  77  98.891   0.795  -8.376

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLN  78           H        GLN  78 105.246   0.989 -12.763
    2    HA   GLN  78           HA       GLN  78 107.544  -0.808 -12.987
    3    HB2  GLN  78           HB2      GLN  78 106.976   1.882 -14.232
    4    HB3  GLN  78           HB3      GLN  78 108.531   1.077 -14.341
    5    HG2  GLN  78           HG2      GLN  78 107.352  -0.923 -15.279
    6    HG3  GLN  78           HG3      GLN  78 105.895   0.050 -15.355
    7   HE21  GLN  78          HE21      GLN  78 108.507   2.055 -15.812
    8   HE22  GLN  78          HE22      GLN  78 108.544   2.100 -17.503

  No H/Q in entry =           8
  In of MODEL    5
    1    H    VAL  79           H        VAL  79 109.085  -0.708 -11.538
    2    HA   VAL  79           HA       VAL  79 108.861   0.771  -9.249
    3    HB   VAL  79           HB       VAL  79 111.483  -0.136 -10.463

  No H/Q in entry =           3
  In of MODEL    5
    1    H    SER  80           H        SER  80 110.335   1.697 -12.346
    2    HA   SER  80           HA       SER  80 111.701   3.967 -11.295
    3    HB2  SER  80           HB2      SER  80 112.601   3.203 -13.312
    4    HB3  SER  80           HB3      SER  80 111.014   3.022 -14.047
    5    HG   SER  80           HG       SER  80 112.478   5.374 -13.496

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLN  81           H        GLN  81 108.486   3.397 -12.481
    2    HA   GLN  81           HA       GLN  81 107.937   6.296 -12.565
    3    HB2  GLN  81           HB2      GLN  81 106.103   4.064 -13.363
    4    HB3  GLN  81           HB3      GLN  81 105.975   5.782 -13.718
    5    HG2  GLN  81           HG2      GLN  81 108.138   3.909 -14.702
    6    HG3  GLN  81           HG3      GLN  81 106.815   4.609 -15.665
    7   HE21  GLN  81          HE21      GLN  81 109.894   4.983 -15.769
    8   HE22  GLN  81          HE22      GLN  81 110.081   6.670 -15.765

  No H/Q in entry =           8
  In of MODEL    5
    1    H    VAL  82           H        VAL  82 107.499   3.647 -10.414
    2    HA   VAL  82           HA       VAL  82 104.969   4.490  -9.413
    3    HB   VAL  82           HB       VAL  82 106.007   2.204  -9.158

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ILE  83           H        ILE  83 104.798   5.165  -6.906
    2    HA   ILE  83           HA       ILE  83 105.850   7.725  -6.701
    3    HB   ILE  83           HB       ILE  83 105.460   6.578  -4.021
    4   HD11  ILE  83          HD11      ILE  83 103.466   5.936  -3.022
    5   HD12  ILE  83          HD12      ILE  83 102.231   6.791  -3.946
    6   HD13  ILE  83          HD13      ILE  83 102.265   5.029  -3.930

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   PRO  84           HA       PRO  84 110.195   7.380  -5.807
    2    HB2  PRO  84           HB2      PRO  84 109.651   9.097  -3.416
    3    HB3  PRO  84           HB3      PRO  84 110.921   9.271  -4.641
    4    HG2  PRO  84           HG2      PRO  84 108.808  10.831  -4.699
    5    HG3  PRO  84           HG3      PRO  84 109.443  10.143  -6.191
    6    HD2  PRO  84           HD2      PRO  84 107.035   9.365  -4.671
    7    HD3  PRO  84           HD3      PRO  84 107.273   9.367  -6.417

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  85           H        GLY  85 108.266   7.371  -2.802
    2    HA2  GLY  85           HA2      GLY  85 108.337   5.949  -0.995
    3    HA3  GLY  85           HA3      GLY  85 110.081   5.996  -1.190

  No H/Q in entry =           3
  In of MODEL    5
    1    H    TRP  86           H        TRP  86 107.462   4.815  -3.182
    2    HA   TRP  86           HA       TRP  86 107.778   2.039  -2.727
    3    HB2  TRP  86           HB2      TRP  86 106.402   3.787  -4.734
    4    HB3  TRP  86           HB3      TRP  86 106.559   2.076  -5.112
    5    HD1  TRP  86           HD1      TRP  86 105.423   4.084  -1.953
    6    HE1  TRP  86           HE1      TRP  86 103.299   2.974  -1.067
    7    HE3  TRP  86           HE3      TRP  86 104.993   0.319  -5.304
    8    HZ2  TRP  86           HZ2      TRP  86 101.644   0.716  -1.713
    9    HZ3  TRP  86           HZ3      TRP  86 103.146  -1.271  -5.137
   10    HH2  TRP  86           HH2      TRP  86 101.461  -1.102  -3.357

  No H/Q in entry =          10
  In of MODEL    5
    1    H    THR  87           H        THR  87 109.287   4.218  -5.081
    2    HA   THR  87           HA       THR  87 110.238   2.427  -6.932
    3    HB   THR  87           HB       THR  87 111.624   4.870  -5.807
    4    HG1  THR  87           HG1      THR  87 109.698   5.428  -6.684
    5   HG21  THR  87          HG21      THR  87 113.164   3.349  -7.111
    6   HG22  THR  87          HG22      THR  87 112.087   3.549  -8.477
    7   HG23  THR  87          HG23      THR  87 112.926   4.923  -7.835

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLU  88           H        GLU  88 111.942   3.503  -3.988
    2    HA   GLU  88           HA       GLU  88 114.046   1.616  -4.346
    3    HB2  GLU  88           HB2      GLU  88 114.358   3.795  -3.249
    4    HB3  GLU  88           HB3      GLU  88 113.343   3.266  -1.914
    5    HG2  GLU  88           HG2      GLU  88 115.643   2.956  -1.254
    6    HG3  GLU  88           HG3      GLU  88 114.959   1.361  -1.537

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ALA  89           H        ALA  89 111.249   1.698  -2.136
    2    HA   ALA  89           HA       ALA  89 111.928  -0.469  -0.539
    3    HB1  ALA  89           HB1      ALA  89 109.239   0.543  -1.434
    4    HB2  ALA  89           HB2      ALA  89 110.081   0.868   0.080
    5    HB3  ALA  89           HB3      ALA  89 109.445  -0.737  -0.243

  No H/Q in entry =           5
  In of MODEL    5
    1    H    LEU  90           H        LEU  90 110.136  -0.599  -3.639
    2    HA   LEU  90           HA       LEU  90 109.459  -3.326  -3.564
    3    HB2  LEU  90           HB2      LEU  90 110.203  -1.622  -5.956
    4    HB3  LEU  90           HB3      LEU  90 109.358  -3.153  -6.031
    5    HG   LEU  90           HG       LEU  90 108.291  -0.882  -4.356
    6   HD11  LEU  90          HD11      LEU  90 107.909  -1.366  -7.299
    7   HD12  LEU  90          HD12      LEU  90 106.867  -0.328  -6.356
    8   HD13  LEU  90          HD13      LEU  90 108.572   0.061  -6.537
    9   HD21  LEU  90          HD21      LEU  90 107.149  -3.360  -5.609
   10   HD22  LEU  90          HD22      LEU  90 107.180  -2.931  -3.914
   11   HD23  LEU  90          HD23      LEU  90 106.123  -2.073  -5.041

  No H/Q in entry =          11
  In of MODEL    5
    1    H    GLN  91           H        GLN  91 112.353  -1.690  -4.730
    2    HA   GLN  91           HA       GLN  91 113.657  -3.922  -5.817
    3    HB2  GLN  91           HB2      GLN  91 114.899  -1.438  -4.655
    4    HB3  GLN  91           HB3      GLN  91 115.624  -2.521  -5.842
    5    HG2  GLN  91           HG2      GLN  91 113.870  -1.983  -7.454
    6    HG3  GLN  91           HG3      GLN  91 113.069  -0.973  -6.256
    7   HE21  GLN  91          HE21      GLN  91 113.349   1.116  -7.146
    8   HE22  GLN  91          HE22      GLN  91 114.865   1.778  -7.533

  No H/Q in entry =           8
  In of MODEL    5
    1    H    LEU  92           H        LEU  92 113.257  -2.814  -2.571
    2    HA   LEU  92           HA       LEU  92 115.410  -4.607  -1.606
    3    HB2  LEU  92           HB2      LEU  92 113.805  -2.553  -0.071
    4    HB3  LEU  92           HB3      LEU  92 115.232  -3.421   0.498
    5    HG   LEU  92           HG       LEU  92 115.203  -1.549  -1.868
    6   HD11  LEU  92          HD11      LEU  92 116.074  -1.129   0.976
    7   HD12  LEU  92          HD12      LEU  92 116.468  -0.052  -0.366
    8   HD13  LEU  92          HD13      LEU  92 114.789  -0.289   0.107
    9   HD21  LEU  92          HD21      LEU  92 117.343  -3.116  -0.478
   10   HD22  LEU  92          HD22      LEU  92 116.994  -3.030  -2.202
   11   HD23  LEU  92          HD23      LEU  92 117.723  -1.655  -1.383

  No H/Q in entry =          11
  In of MODEL    5
    1    H    MET  93           H        MET  93 112.098  -4.505  -2.098
    2    HA   MET  93           HA       MET  93 111.397  -6.172   0.176
    3    HB2  MET  93           HB2      MET  93 109.941  -4.353  -0.643
    4    HB3  MET  93           HB3      MET  93 109.728  -5.241  -2.150
    5    HG2  MET  93           HG2      MET  93 108.630  -7.033  -1.060
    6    HG3  MET  93           HG3      MET  93 109.109  -6.465   0.541
    7    HE1  MET  93           HE1      MET  93 106.677  -6.353  -2.313
    8    HE2  MET  93           HE2      MET  93 106.116  -7.162  -0.845
    9    HE3  MET  93           HE3      MET  93 105.275  -5.749  -1.447

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   PRO  94           HA       PRO  94 112.302  -9.771  -2.585
    2    HB2  PRO  94           HB2      PRO  94 111.818 -11.344  -0.151
    3    HB3  PRO  94           HB3      PRO  94 113.250 -11.304  -1.187
    4    HG2  PRO  94           HG2      PRO  94 113.263 -10.232   1.257
    5    HG3  PRO  94           HG3      PRO  94 114.140  -9.480  -0.094
    6    HD2  PRO  94           HD2      PRO  94 111.472  -8.738   1.051
    7    HD3  PRO  94           HD3      PRO  94 112.828  -7.713   0.602

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  95           H        ALA  95 111.056 -11.322  -3.555
    2    HA   ALA  95           HA       ALA  95 108.277 -10.926  -3.458
    3    HB1  ALA  95           HB1      ALA  95 109.898 -13.067  -4.784
    4    HB2  ALA  95           HB2      ALA  95 108.146 -12.906  -4.962
    5    HB3  ALA  95           HB3      ALA  95 109.211 -11.619  -5.523

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  96           H        GLY  96 106.664 -11.886  -2.533
    2    HA2  GLY  96           HA2      GLY  96 107.087 -14.354  -1.004
    3    HA3  GLY  96           HA3      GLY  96 105.539 -13.603  -1.406

  No H/Q in entry =           3
  In of MODEL    5
    1    H    SER  97           H        SER  97 108.071 -11.514  -0.423
    2    HA   SER  97           HA       SER  97 107.333 -11.533   2.386
    3    HB2  SER  97           HB2      SER  97 109.205 -10.198   2.738
    4    HB3  SER  97           HB3      SER  97 109.704 -11.090   1.301
    5    HG   SER  97           HG       SER  97 108.378  -9.098   0.363

  No H/Q in entry =           5
  In of MODEL    5
    1    H    THR  98           H        THR  98 106.033 -10.140   3.362
    2    HA   THR  98           HA       THR  98 104.743  -8.042   1.735
    3    HB   THR  98           HB       THR  98 103.746  -9.349   4.271
    4    HG1  THR  98           HG1      THR  98 103.871 -10.451   2.003
    5   HG21  THR  98          HG21      THR  98 102.571  -7.364   2.308
    6   HG22  THR  98          HG22      THR  98 101.629  -8.254   3.509
    7   HG23  THR  98          HG23      THR  98 102.888  -7.140   4.029

  No H/Q in entry =           7
  In of MODEL    5
    1    H    TRP  99           H        TRP  99 105.536  -6.080   2.100
    2    HA   TRP  99           HA       TRP  99 106.466  -5.430   4.848
    3    HB2  TRP  99           HB2      TRP  99 107.337  -4.315   2.180
    4    HB3  TRP  99           HB3      TRP  99 107.798  -3.613   3.717
    5    HD1  TRP  99           HD1      TRP  99 107.829  -7.320   4.008
    6    HE1  TRP  99           HE1      TRP  99 110.207  -8.212   3.842
    7    HE3  TRP  99           HE3      TRP  99 110.156  -3.093   2.362
    8    HZ2  TRP  99           HZ2      TRP  99 112.810  -7.242   3.117
    9    HZ3  TRP  99           HZ3      TRP  99 112.609  -3.109   1.956
   10    HH2  TRP  99           HH2      TRP  99 113.934  -5.170   2.340

  No H/Q in entry =          10
  In of MODEL    5
    1    H    GLU 100           H        GLU 100 106.339  -3.137   5.361
    2    HA   GLU 100           HA       GLU 100 104.073  -1.709   4.142
    3    HB2  GLU 100           HB2      GLU 100 104.652  -2.069   7.084
    4    HB3  GLU 100           HB3      GLU 100 103.710  -0.710   6.484
    5    HG2  GLU 100           HG2      GLU 100 102.089  -2.190   5.505
    6    HG3  GLU 100           HG3      GLU 100 103.049  -3.599   5.903

  No H/Q in entry =           6
  In of MODEL    5
    1    H    ILE 101           H        ILE 101 104.688   0.298   3.493
    2    HA   ILE 101           HA       ILE 101 107.119   1.384   4.674
    3    HB   ILE 101           HB       ILE 101 108.054   1.975   2.663
    4   HD11  ILE 101          HD11      ILE 101 108.107   2.665   0.428
    5   HD12  ILE 101          HD12      ILE 101 107.417   1.142  -0.119
    6   HD13  ILE 101          HD13      ILE 101 106.672   2.658  -0.581

  No H/Q in entry =           6
  In of MODEL    5
    1    H    TYR 102           H        TYR 102 107.176   3.385   5.237
    2    HA   TYR 102           HA       TYR 102 104.654   4.914   5.075
    3    HB2  TYR 102           HB2      TYR 102 106.953   5.213   7.019
    4    HB3  TYR 102           HB3      TYR 102 105.389   5.970   7.143
    5    HD1  TYR 102           HD1      TYR 102 106.490   2.378   6.551
    6    HD2  TYR 102           HD2      TYR 102 104.181   5.069   8.957
    7    HE1  TYR 102           HE1      TYR 102 105.642   0.486   7.809
    8    HE2  TYR 102           HE2      TYR 102 103.329   3.149  10.257
    9    HH   TYR 102           HH       TYR 102 104.581   0.412  10.537

  No H/Q in entry =           9
  In of MODEL    5
    1    H    VAL 103           H        VAL 103 104.903   6.124   3.299
    2    HA   VAL 103           HA       VAL 103 107.455   7.119   2.512
    3    HB   VAL 103           HB       VAL 103 104.866   7.624   1.146

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO 104           HA       PRO 104 106.869  11.149   4.475
    2    HB2  PRO 104           HB2      PRO 104 109.089  11.775   2.564
    3    HB3  PRO 104           HB3      PRO 104 108.978  12.123   4.300
    4    HG2  PRO 104           HG2      PRO 104 110.533  10.149   3.332
    5    HG3  PRO 104           HG3      PRO 104 109.737  10.028   4.896
    6    HD2  PRO 104           HD2      PRO 104 109.107   8.637   2.372
    7    HD3  PRO 104           HD3      PRO 104 108.756   8.165   4.051

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER 105           H        SER 105 105.775  12.987   3.718
    2    HA   SER 105           HA       SER 105 104.245  12.808   1.448
    3    HB2  SER 105           HB2      SER 105 103.674  15.104   1.749
    4    HB3  SER 105           HB3      SER 105 103.969  14.451   3.358
    5    HG   SER 105           HG       SER 105 105.706  16.011   1.745

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY 106           H        GLY 106 107.484  14.132   1.793
    2    HA2  GLY 106           HA2      GLY 106 109.021  14.844   0.235
    3    HA3  GLY 106           HA3      GLY 106 107.661  15.350  -0.759

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LEU 107           H        LEU 107 108.160  12.060   0.377
    2    HA   LEU 107           HA       LEU 107 109.096  11.225  -2.300
    3    HB2  LEU 107           HB2      LEU 107 108.967   9.667   0.308
    4    HB3  LEU 107           HB3      LEU 107 109.611   9.056  -1.194
    5    HG   LEU 107           HG       LEU 107 110.698  11.410   0.367
    6   HD11  LEU 107          HD11      LEU 107 111.195   9.169   1.345
    7   HD12  LEU 107          HD12      LEU 107 111.914   8.706  -0.194
    8   HD13  LEU 107          HD13      LEU 107 112.638   9.992   0.757
    9   HD21  LEU 107          HD21      LEU 107 111.312  10.332  -2.357
   10   HD22  LEU 107          HD22      LEU 107 111.234  12.004  -1.816
   11   HD23  LEU 107          HD23      LEU 107 112.626  11.007  -1.403

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ALA 108           H        ALA 108 106.173  11.677  -0.833
    2    HA   ALA 108           HA       ALA 108 104.975   9.262  -2.024
    3    HB1  ALA 108           HB1      ALA 108 103.659  11.169  -0.095
    4    HB2  ALA 108           HB2      ALA 108 103.117   9.573  -0.578
    5    HB3  ALA 108           HB3      ALA 108 104.544   9.762   0.403

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR 109           H        TYR 109 102.805  11.822  -1.337
    2    HA   TYR 109           HA       TYR 109 102.449  12.199  -4.196
    3    HB2  TYR 109           HB2      TYR 109 100.558  12.242  -1.901
    4    HB3  TYR 109           HB3      TYR 109 100.125  13.015  -3.433
    5    HD1  TYR 109           HD1      TYR 109 100.438   9.894  -1.709
    6    HD2  TYR 109           HD2      TYR 109 100.521  11.657  -5.609
    7    HE1  TYR 109           HE1      TYR 109 100.194   7.680  -2.703
    8    HE2  TYR 109           HE2      TYR 109 100.303   9.425  -6.630
    9    HH   TYR 109           HH       TYR 109 100.959   6.686  -5.155

  No H/Q in entry =           9
  In of MODEL    5
    1    H    GLY 110           H        GLY 110 104.080  13.815  -1.978
    2    HA2  GLY 110           HA2      GLY 110 103.654  16.322  -3.449
    3    HA3  GLY 110           HA3      GLY 110 105.081  15.895  -2.532

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO 111           HA       PRO 111 103.771  18.325   0.845
    2    HB2  PRO 111           HB2      PRO 111 104.450  20.839   0.123
    3    HB3  PRO 111           HB3      PRO 111 105.654  19.585   0.445
    4    HG2  PRO 111           HG2      PRO 111 104.580  20.501  -2.184
    5    HG3  PRO 111           HG3      PRO 111 106.259  20.210  -1.706
    6    HD2  PRO 111           HD2      PRO 111 104.821  18.391  -3.104
    7    HD3  PRO 111           HD3      PRO 111 106.042  17.904  -1.919

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ARG 112           H        ARG 112 102.331  19.018  -2.219
    2    HA   ARG 112           HA       ARG 112 100.257  20.779  -1.091
    3    HB2  ARG 112           HB2      ARG 112 101.159  19.995  -3.845
    4    HB3  ARG 112           HB3      ARG 112  99.496  20.530  -3.649
    5    HG2  ARG 112           HG2      ARG 112 100.703  22.479  -4.206
    6    HG3  ARG 112           HG3      ARG 112 100.455  22.597  -2.469
    7    HD2  ARG 112           HD2      ARG 112 102.698  21.823  -2.035
    8    HD3  ARG 112           HD3      ARG 112 102.960  21.467  -3.739
    9    HE   ARG 112           HE       ARG 112 102.353  24.107  -3.778
   10   HH11  ARG 112          HH11      ARG 112 104.493  22.239  -1.794
   11   HH12  ARG 112          HH12      ARG 112 105.705  23.471  -1.710
   12   HH21  ARG 112          HH21      ARG 112 103.929  25.732  -3.642
   13   HH22  ARG 112          HH22      ARG 112 105.389  25.440  -2.758

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER 113           H        SER 113  97.951  20.277  -1.734
    2    HA   SER 113           HA       SER 113  97.287  17.608  -0.936
    3    HB2  SER 113           HB2      SER 113  95.414  19.643  -2.135
    4    HB3  SER 113           HB3      SER 113  95.036  18.315  -1.047
    5    HG   SER 113           HG       SER 113  95.670  19.478   0.590

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL 114           H        VAL 114  98.532  16.573  -2.701
    2    HA   VAL 114           HA       VAL 114  97.363  16.789  -5.387
    3    HB   VAL 114           HB       VAL 114  99.639  15.004  -4.533

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLY 115           H        GLY 115  95.341  15.858  -4.118
    2    HA2  GLY 115           HA2      GLY 115  95.299  13.048  -3.601
    3    HA3  GLY 115           HA3      GLY 115  94.704  13.402  -5.218

  No H/Q in entry =           3
  In of MODEL    5
    1    H    GLY 116           H        GLY 116  92.856  12.259  -3.837
    2    HA2  GLY 116           HA2      GLY 116  90.699  12.429  -3.050
    3    HA3  GLY 116           HA3      GLY 116  90.732  14.088  -3.602

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO 117           HA       PRO 117  90.259  14.210   1.025
    2    HB2  PRO 117           HB2      PRO 117  91.113  12.074   2.541
    3    HB3  PRO 117           HB3      PRO 117  89.477  12.255   1.911
    4    HG2  PRO 117           HG2      PRO 117  91.728  10.665   0.836
    5    HG3  PRO 117           HG3      PRO 117  90.025  10.278   0.884
    6    HD2  PRO 117           HD2      PRO 117  91.218  11.078  -1.380
    7    HD3  PRO 117           HD3      PRO 117  89.544  11.535  -1.001

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ILE 118           H        ILE 118  93.127  13.118  -0.380
    2    HA   ILE 118           HA       ILE 118  94.969  13.652   1.717
    3    HB   ILE 118           HB       ILE 118  95.461  13.899  -1.259
    4   HD11  ILE 118          HD11      ILE 118  94.005  12.250  -1.840
    5   HD12  ILE 118          HD12      ILE 118  94.477  10.578  -1.632
    6   HD13  ILE 118          HD13      ILE 118  93.504  11.365  -0.407

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY 119           H        GLY 119  95.095  15.585   2.643
    2    HA2  GLY 119           HA2      GLY 119  94.728  17.858   2.918
    3    HA3  GLY 119           HA3      GLY 119  94.452  18.033   1.201

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO 120           HA       PRO 120  98.481  19.769   0.964
    2    HB2  PRO 120           HB2      PRO 120  98.835  21.627   2.944
    3    HB3  PRO 120           HB3      PRO 120  97.852  21.921   1.512
    4    HG2  PRO 120           HG2      PRO 120  96.985  21.062   4.231
    5    HG3  PRO 120           HG3      PRO 120  96.278  22.279   3.178
    6    HD2  PRO 120           HD2      PRO 120  95.213  19.840   3.423
    7    HD3  PRO 120           HD3      PRO 120  95.226  20.667   1.852

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ASN 121           H        ASN 121 100.614  19.417   1.555
    2    HA   ASN 121           HA       ASN 121 102.304  18.234   2.562
    3    HB2  ASN 121           HB2      ASN 121 101.926  20.433   3.885
    4    HB3  ASN 121           HB3      ASN 121 101.302  19.377   5.149
    5   HD21  ASN 121          HD21      ASN 121 103.114  17.151   4.741
    6   HD22  ASN 121          HD22      ASN 121 104.671  17.673   5.172

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLU 122           H        GLU 122 100.576  16.342   2.107
    2    HA   GLU 122           HA       GLU 122  99.966  14.979   4.652
    3    HB2  GLU 122           HB2      GLU 122  98.990  14.665   1.830
    4    HB3  GLU 122           HB3      GLU 122  98.730  13.399   3.029
    5    HG2  GLU 122           HG2      GLU 122  97.885  16.274   3.391
    6    HG3  GLU 122           HG3      GLU 122  96.829  14.993   2.812

  No H/Q in entry =           6
  In of MODEL    5
    1    H    THR 123           H        THR 123 100.996  13.249   5.297
    2    HA   THR 123           HA       THR 123 103.042  12.006   3.562
    3    HB   THR 123           HB       THR 123 102.514  11.793   6.532
    4    HG1  THR 123           HG1      THR 123 104.954  12.553   5.947
    5   HG21  THR 123          HG21      THR 123 103.322   9.653   5.505
    6   HG22  THR 123          HG22      THR 123 104.715  10.521   4.901
    7   HG23  THR 123          HG23      THR 123 104.467  10.347   6.636

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU 124           H        LEU 124 102.595  10.072   2.663
    2    HA   LEU 124           HA       LEU 124 100.158   8.643   3.592
    3    HB2  LEU 124           HB2      LEU 124 101.442   8.634   0.847
    4    HB3  LEU 124           HB3      LEU 124 100.023   7.718   1.308
    5    HG   LEU 124           HG       LEU 124  99.108   9.584   0.213
    6   HD11  LEU 124          HD11      LEU 124  98.211   9.283   2.563
    7   HD12  LEU 124          HD12      LEU 124  99.206  10.670   2.988
    8   HD13  LEU 124          HD13      LEU 124  97.931  10.848   1.803
    9   HD21  LEU 124          HD21      LEU 124 101.299  10.800   0.102
   10   HD22  LEU 124          HD22      LEU 124  99.889  11.826   0.343
   11   HD23  LEU 124          HD23      LEU 124 100.933  11.438   1.693

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE 125           H        ILE 125 100.172   6.480   3.821
    2    HA   ILE 125           HA       ILE 125 102.775   5.071   3.703
    3    HB   ILE 125           HB       ILE 125 102.335   5.284   6.030
    4   HD11  ILE 125          HD11      ILE 125 102.008   3.777   7.745
    5   HD12  ILE 125          HD12      ILE 125 101.037   2.335   7.506
    6   HD13  ILE 125          HD13      ILE 125 102.775   2.273   7.280

  No H/Q in entry =           6
  In of MODEL    5
    1    H    PHE 126           H        PHE 126 102.675   2.929   3.010
    2    HA   PHE 126           HA       PHE 126 100.031   1.932   2.238
    3    HB2  PHE 126           HB2      PHE 126 102.314   1.583   0.326
    4    HB3  PHE 126           HB3      PHE 126 100.569   1.492   0.037
    5    HD1  PHE 126           HD1      PHE 126  99.519   3.313  -0.978
    6    HD2  PHE 126           HD2      PHE 126 103.178   3.916   1.182
    7    HE1  PHE 126           HE1      PHE 126  99.539   5.698  -1.663
    8    HE2  PHE 126           HE2      PHE 126 103.174   6.288   0.513
    9    HZ   PHE 126           HZ       PHE 126 101.378   7.178  -0.904

  No H/Q in entry =           9
  In of MODEL    5
    1    H    LYS 127           H        LYS 127  99.872  -0.313   2.038
    2    HA   LYS 127           HA       LYS 127 102.027  -1.794   3.349
    3    HB2  LYS 127           HB2      LYS 127  99.532  -3.260   2.773
    4    HB3  LYS 127           HB3      LYS 127 100.402  -3.119   4.279
    5    HG2  LYS 127           HG2      LYS 127  98.535  -1.038   3.162
    6    HG3  LYS 127           HG3      LYS 127  98.128  -2.190   4.419
    7    HD2  LYS 127           HD2      LYS 127  99.888  -1.246   5.878
    8    HD3  LYS 127           HD3      LYS 127 100.287  -0.064   4.649
    9    HE2  LYS 127           HE2      LYS 127  98.033   0.873   4.766
   10    HE3  LYS 127           HE3      LYS 127  97.570  -0.353   5.949
   11    HZ1  LYS 127           HZ1      LYS 127  99.663   0.594   7.181
   12    HZ2  LYS 127           HZ2      LYS 127  99.309   1.981   6.267
   13    HZ3  LYS 127           HZ3      LYS 127  98.147   1.346   7.328

  No H/Q in entry =          13
  In of MODEL    5
    1    H    ILE 128           H        ILE 128 103.322  -3.013   2.007
    2    HA   ILE 128           HA       ILE 128 102.148  -3.527  -0.694
    3    HB   ILE 128           HB       ILE 128 105.118  -3.285  -0.298
    4   HD11  ILE 128          HD11      ILE 128 105.226  -0.725  -1.981
    5   HD12  ILE 128          HD12      ILE 128 104.959   0.502  -0.756
    6   HD13  ILE 128          HD13      ILE 128 106.117  -0.785  -0.459

  No H/Q in entry =           6
  In of MODEL    5
    1    H    HIS 129           H        HIS 129 101.761  -5.454  -1.152
    2    HA   HIS 129           HA       HIS 129 103.316  -7.674   0.040
    3    HB2  HIS 129           HB2      HIS 129 100.967  -7.783   0.664
    4    HB3  HIS 129           HB3      HIS 129 100.479  -7.535  -1.004
    5    HD2  HIS 129           HD2      HIS 129 103.235 -10.225   0.067
    6    HE1  HIS 129           HE1      HIS 129  99.979 -12.147  -1.840
    7    HE2  HIS 129           HE2      HIS 129 102.338 -12.462  -0.992

  No H/Q in entry =           7
  In of MODEL    5
    1    H    LEU 130           H        LEU 130 104.611  -8.782  -1.358
    2    HA   LEU 130           HA       LEU 130 104.282  -8.193  -4.211
    3    HB2  LEU 130           HB2      LEU 130 106.543  -8.644  -2.547
    4    HB3  LEU 130           HB3      LEU 130 106.492  -9.937  -3.703
    5    HG   LEU 130           HG       LEU 130 106.279  -7.059  -4.505
    6   HD11  LEU 130          HD11      LEU 130 108.680  -8.875  -4.385
    7   HD12  LEU 130          HD12      LEU 130 108.655  -7.369  -5.287
    8   HD13  LEU 130          HD13      LEU 130 108.465  -7.354  -3.531
    9   HD21  LEU 130          HD21      LEU 130 106.773  -9.635  -6.001
   10   HD22  LEU 130          HD22      LEU 130 105.334  -8.626  -6.134
   11   HD23  LEU 130          HD23      LEU 130 106.866  -8.046  -6.709

  No H/Q in entry =          11
  In of MODEL    5
    1    H    ILE 131           H        ILE 131 103.066  -9.451  -5.429
    2    HA   ILE 131           HA       ILE 131 102.769 -12.295  -4.772
    3    HB   ILE 131           HB       ILE 131 101.265 -10.481  -6.680
    4   HD11  ILE 131          HD11      ILE 131 100.320  -8.928  -5.229
    5   HD12  ILE 131          HD12      ILE 131  99.739  -9.356  -3.626
    6   HD13  ILE 131          HD13      ILE 131 101.460  -9.321  -3.941

  No H/Q in entry =           6
  In of MODEL    5
    1    H    SER 132           H        SER 132 103.706 -10.190  -7.519
    2    HA   SER 132           HA       SER 132 105.466 -12.315  -8.474
    3    HB2  SER 132           HB2      SER 132 104.446 -12.689 -10.536
    4    HB3  SER 132           HB3      SER 132 103.050 -12.510  -9.480
    5    HG   SER 132           HG       SER 132 104.243 -10.512 -11.109

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL 133           H        VAL 133 106.963 -11.600 -10.120
    2    HA   VAL 133           HA       VAL 133 107.298  -8.652 -10.246
    3    HB   VAL 133           HB       VAL 133 109.456 -10.755  -9.833

  No H/Q in entry =           3
  In of MODEL    5
    1    H    LYS 134           H        LYS 134 107.723  -7.824 -12.165
    2    HA   LYS 134           HA       LYS 134 107.826  -9.554 -14.504
    3    HB2  LYS 134           HB2      LYS 134 106.376  -7.391 -14.050
    4    HB3  LYS 134           HB3      LYS 134 107.851  -6.607 -14.564
    5    HG2  LYS 134           HG2      LYS 134 106.796  -6.837 -16.624
    6    HG3  LYS 134           HG3      LYS 134 107.733  -8.331 -16.580
    7    HD2  LYS 134           HD2      LYS 134 105.749  -9.467 -15.564
    8    HD3  LYS 134           HD3      LYS 134 104.822  -7.989 -15.833
    9    HE2  LYS 134           HE2      LYS 134 105.538  -8.137 -18.275
   10    HE3  LYS 134           HE3      LYS 134 106.106  -9.766 -17.917
   11    HZ1  LYS 134           HZ1      LYS 134 103.619  -9.710 -16.834
   12    HZ2  LYS 134           HZ2      LYS 134 103.425  -8.811 -18.263
   13    HZ3  LYS 134           HZ3      LYS 134 104.027 -10.394 -18.335

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LYS 135           H        LYS 135 108.992  -7.270 -15.963
    2    HA   LYS 135           HA       LYS 135 111.678  -6.852 -15.066
    3    HB2  LYS 135           HB2      LYS 135 111.183  -9.209 -16.536
    4    HB3  LYS 135           HB3      LYS 135 111.975  -8.123 -17.658
    5    HG2  LYS 135           HG2      LYS 135 113.077  -8.495 -14.876
    6    HG3  LYS 135           HG3      LYS 135 113.395  -9.682 -16.138
    7    HD2  LYS 135           HD2      LYS 135 113.860  -6.779 -16.738
    8    HD3  LYS 135           HD3      LYS 135 115.049  -7.641 -15.763
    9    HE2  LYS 135           HE2      LYS 135 114.104  -8.429 -18.528
   10    HE3  LYS 135           HE3      LYS 135 115.685  -7.759 -18.123
   11    HZ1  LYS 135           HZ1      LYS 135 115.616  -9.797 -16.452
   12    HZ2  LYS 135           HZ2      LYS 135 114.628 -10.435 -17.676
   13    HZ3  LYS 135           HZ3      LYS 135 116.211  -9.943 -18.035

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER 136           H        SER 136 112.847  -5.421 -16.394
    2    HA   SER 136           HA       SER 136 111.497  -3.200 -17.210
    3    HB2  SER 136           HB2      SER 136 113.510  -2.510 -18.371
    4    HB3  SER 136           HB3      SER 136 113.965  -3.378 -16.907
    5    HG   SER 136           HG       SER 136 115.126  -4.448 -18.337

  No H/Q in entry =           5
  In of MODEL    5
    1    H    SER 137           H        SER 137 112.138  -6.088 -19.121
    2    HA   SER 137           HA       SER 137 111.062  -4.872 -21.553
    3    HB2  SER 137           HB2      SER 137 112.951  -6.463 -21.709
    4    HB3  SER 137           HB3      SER 137 111.930  -7.726 -21.023
    5    HG   SER 137           HG       SER 137 111.885  -7.824 -23.281

  No H/Q in entry =           5
  In of MODEL    6
    1    H1   PHE   1           H1       PHE   1  95.554  28.071   2.739
    2    H2   PHE   1           H2       PHE   1  94.030  28.117   1.997
    3    H3   PHE   1           H3       PHE   1  94.196  28.588   3.620
    4    HA   PHE   1           HA       PHE   1  93.516  26.520   4.078
    5    HB2  PHE   1           HB2      PHE   1  94.310  26.068   1.212
    6    HB3  PHE   1           HB3      PHE   1  94.085  24.660   2.250
    7    HD1  PHE   1           HD1      PHE   1  91.919  23.814   2.617
    8    HD2  PHE   1           HD2      PHE   1  92.402  27.854   1.235
    9    HE1  PHE   1           HE1      PHE   1  89.459  24.032   2.391
   10    HE2  PHE   1           HE2      PHE   1  89.942  28.070   1.007
   11    HZ   PHE   1           HZ       PHE   1  88.471  26.160   1.589

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ASN   2           H        ASN   2  96.372  27.783   4.034
    2    HA   ASN   2           HA       ASN   2  98.194  25.619   4.158
    3    HB2  ASN   2           HB2      ASN   2  98.424  28.302   5.519
    4    HB3  ASN   2           HB3      ASN   2  99.733  27.169   5.205
    5   HD21  ASN   2          HD21      ASN   2 100.905  28.543   3.740
    6   HD22  ASN   2          HD22      ASN   2 100.288  28.995   2.226

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS   3           H        LYS   3  96.018  27.039   6.538
    2    HA   LYS   3           HA       LYS   3  97.145  26.187   8.904
    3    HB2  LYS   3           HB2      LYS   3  94.897  26.061   9.840
    4    HB3  LYS   3           HB3      LYS   3  94.985  27.439   8.746
    5    HG2  LYS   3           HG2      LYS   3  93.880  26.162   6.982
    6    HG3  LYS   3           HG3      LYS   3  93.892  24.717   7.974
    7    HD2  LYS   3           HD2      LYS   3  92.477  25.879   9.640
    8    HD3  LYS   3           HD3      LYS   3  92.350  27.247   8.527
    9    HE2  LYS   3           HE2      LYS   3  91.376  25.814   6.828
   10    HE3  LYS   3           HE3      LYS   3  91.634  24.393   7.845
   11    HZ1  LYS   3           HZ1      LYS   3  90.177  26.425   9.216
   12    HZ2  LYS   3           HZ2      LYS   3  89.390  25.970   7.783
   13    HZ3  LYS   3           HZ3      LYS   3  89.771  24.798   8.952

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LYS   4           H        LYS   4  95.328  24.311   6.539
    2    HA   LYS   4           HA       LYS   4  95.238  21.913   8.004
    3    HB2  LYS   4           HB2      LYS   4  94.007  22.733   5.818
    4    HB3  LYS   4           HB3      LYS   4  95.323  21.885   5.015
    5    HG2  LYS   4           HG2      LYS   4  93.553  20.652   7.145
    6    HG3  LYS   4           HG3      LYS   4  93.261  20.506   5.418
    7    HD2  LYS   4           HD2      LYS   4  95.727  19.597   5.339
    8    HD3  LYS   4           HD3      LYS   4  95.498  19.349   7.065
    9    HE2  LYS   4           HE2      LYS   4  93.657  17.860   6.732
   10    HE3  LYS   4           HE3      LYS   4  93.517  18.291   5.031
   11    HZ1  LYS   4           HZ1      LYS   4  95.707  17.316   4.666
   12    HZ2  LYS   4           HZ2      LYS   4  95.769  16.835   6.294
   13    HZ3  LYS   4           HZ3      LYS   4  94.597  16.181   5.253

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ALA   5           H        ALA   5  97.527  23.284   5.735
    2    HA   ALA   5           HA       ALA   5  99.238  21.136   5.260
    3    HB1  ALA   5           HB1      ALA   5 100.805  22.754   4.536
    4    HB2  ALA   5           HB2      ALA   5 100.213  23.957   5.663
    5    HB3  ALA   5           HB3      ALA   5  99.245  23.524   4.262

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP   6           H        ASP   6  98.965  23.313   7.957
    2    HA   ASP   6           HA       ASP   6 101.364  22.511   9.268
    3    HB2  ASP   6           HB2      ASP   6  98.880  23.901  10.200
    4    HB3  ASP   6           HB3      ASP   6 100.219  23.539  11.267

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU   7           H        GLU   7  97.999  21.356   9.325
    2    HA   GLU   7           HA       GLU   7  98.269  19.678  11.593
    3    HB2  GLU   7           HB2      GLU   7  96.484  19.196   9.248
    4    HB3  GLU   7           HB3      GLU   7  96.225  18.686  10.910
    5    HG2  GLU   7           HG2      GLU   7  96.092  21.060  11.580
    6    HG3  GLU   7           HG3      GLU   7  96.265  21.518   9.899

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASN   8           H        ASN   8  98.295  18.974   8.171
    2    HA   ASN   8           HA       ASN   8  98.975  16.258   8.317
    3    HB2  ASN   8           HB2      ASN   8  99.812  18.222   6.186
    4    HB3  ASN   8           HB3      ASN   8  99.613  16.488   6.017
    5   HD21  ASN   8          HD21      ASN   8  98.167  17.998   4.293
    6   HD22  ASN   8          HD22      ASN   8  96.534  18.011   4.719

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS   9           H        LYS   9 100.803  19.173   8.370
    2    HA   LYS   9           HA       LYS   9 103.413  18.111   8.139
    3    HB2  LYS   9           HB2      LYS   9 103.243  20.390   7.728
    4    HB3  LYS   9           HB3      LYS   9 102.137  20.621   9.049
    5    HG2  LYS   9           HG2      LYS   9 103.876  20.530  10.665
    6    HG3  LYS   9           HG3      LYS   9 105.035  20.005   9.448
    7    HD2  LYS   9           HD2      LYS   9 104.623  22.198   8.253
    8    HD3  LYS   9           HD3      LYS   9 103.676  22.696   9.654
    9    HE2  LYS   9           HE2      LYS   9 105.579  22.522  11.116
   10    HE3  LYS   9           HE3      LYS   9 106.542  21.746   9.857
   11    HZ1  LYS   9           HZ1      LYS   9 105.674  24.091   8.739
   12    HZ2  LYS   9           HZ2      LYS   9 106.086  24.519  10.332
   13    HZ3  LYS   9           HZ3      LYS   9 107.232  23.768   9.327

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  10           H        VAL  10 101.545  19.059  11.073
    2    HA   VAL  10           HA       VAL  10 103.638  18.164  12.813
    3    HB   VAL  10           HB       VAL  10 100.761  18.847  13.357

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  11           H        LYS  11 100.500  16.767  11.915
    2    HA   LYS  11           HA       LYS  11 100.765  14.485  13.528
    3    HB2  LYS  11           HB2      LYS  11  99.196  15.030  11.041
    4    HB3  LYS  11           HB3      LYS  11  99.162  13.472  11.831
    5    HG2  LYS  11           HG2      LYS  11  97.321  14.553  12.799
    6    HG3  LYS  11           HG3      LYS  11  98.581  14.827  13.994
    7    HD2  LYS  11           HD2      LYS  11  99.034  17.041  12.852
    8    HD3  LYS  11           HD3      LYS  11  97.582  16.769  11.896
    9    HE2  LYS  11           HE2      LYS  11  97.803  17.054  14.896
   10    HE3  LYS  11           HE3      LYS  11  96.957  18.122  13.781
   11    HZ1  LYS  11           HZ1      LYS  11  96.243  15.266  14.148
   12    HZ2  LYS  11           HZ2      LYS  11  95.510  16.530  15.017
   13    HZ3  LYS  11           HZ3      LYS  11  95.357  16.456  13.327

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLY  12           H        GLY  12 101.783  15.300  10.295
    2    HA2  GLY  12           HA2      GLY  12 103.134  14.191   8.780
    3    HA3  GLY  12           HA3      GLY  12 102.750  12.711   9.616

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  13           H        GLU  13 104.448  15.640  10.801
    2    HA   GLU  13           HA       GLU  13 107.034  14.518  10.717
    3    HB2  GLU  13           HB2      GLU  13 105.822  16.662  12.475
    4    HB3  GLU  13           HB3      GLU  13 107.503  16.157  12.646
    5    HG2  GLU  13           HG2      GLU  13 107.938  16.728  10.317
    6    HG3  GLU  13           HG3      GLU  13 106.257  17.200  10.097

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  14           H        ALA  14 104.418  14.294  12.989
    2    HA   ALA  14           HA       ALA  14 105.878  12.990  15.041
    3    HB1  ALA  14           HB1      ALA  14 102.927  13.302  14.509
    4    HB2  ALA  14           HB2      ALA  14 103.914  14.227  15.636
    5    HB3  ALA  14           HB3      ALA  14 103.580  12.526  15.951

  No H/Q in entry =           5
  In of MODEL    6
    1    H    PHE  15           H        PHE  15 103.888  12.066  12.350
    2    HA   PHE  15           HA       PHE  15 103.515   9.331  12.897
    3    HB2  PHE  15           HB2      PHE  15 102.320  10.786  11.249
    4    HB3  PHE  15           HB3      PHE  15 103.754  10.746  10.243
    5    HD1  PHE  15           HD1      PHE  15 104.263   8.880   8.903
    6    HD2  PHE  15           HD2      PHE  15 101.036   8.718  11.713
    7    HE1  PHE  15           HE1      PHE  15 103.372   6.854   7.779
    8    HE2  PHE  15           HE2      PHE  15 100.171   6.670  10.626
    9    HZ   PHE  15           HZ       PHE  15 101.343   5.754   8.649

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LEU  16           H        LEU  16 105.964  10.983  10.900
    2    HA   LEU  16           HA       LEU  16 107.365   8.533  10.332
    3    HB2  LEU  16           HB2      LEU  16 108.242  11.420  10.108
    4    HB3  LEU  16           HB3      LEU  16 109.262  10.064   9.668
    5    HG   LEU  16           HG       LEU  16 107.183   9.357   8.185
    6   HD11  LEU  16          HD11      LEU  16 106.717  12.292   8.732
    7   HD12  LEU  16          HD12      LEU  16 106.240  11.582   7.195
    8   HD13  LEU  16          HD13      LEU  16 105.542  10.979   8.701
    9   HD21  LEU  16          HD21      LEU  16 109.235  11.484   7.607
   10   HD22  LEU  16          HD22      LEU  16 109.275   9.772   7.205
   11   HD23  LEU  16          HD23      LEU  16 108.171  10.844   6.361

  No H/Q in entry =          11
  In of MODEL    6
    1    H    THR  17           H        THR  17 107.687  11.118  12.665
    2    HA   THR  17           HA       THR  17 110.151  10.317  13.764
    3    HB   THR  17           HB       THR  17 107.842  11.746  15.087
    4    HG1  THR  17           HG1      THR  17 109.720  12.427  13.270
    5   HG21  THR  17          HG21      THR  17 110.701  11.289  15.897
    6   HG22  THR  17          HG22      THR  17 109.694  12.571  16.575
    7   HG23  THR  17          HG23      THR  17 109.239  10.885  16.798

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  18           H        GLU  18 106.825   9.428  14.559
    2    HA   GLU  18           HA       GLU  18 107.609   7.714  16.678
    3    HB2  GLU  18           HB2      GLU  18 105.432   8.833  16.683
    4    HB3  GLU  18           HB3      GLU  18 104.979   7.915  15.254
    5    HG2  GLU  18           HG2      GLU  18 105.091   5.831  16.443
    6    HG3  GLU  18           HG3      GLU  18 105.818   6.610  17.851

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASN  19           H        ASN  19 106.475   7.195  13.345
    2    HA   ASN  19           HA       ASN  19 106.405   4.396  13.451
    3    HB2  ASN  19           HB2      ASN  19 105.465   5.807  11.642
    4    HB3  ASN  19           HB3      ASN  19 107.098   6.071  11.047
    5   HD21  ASN  19          HD21      ASN  19 107.497   4.734   9.337
    6   HD22  ASN  19          HD22      ASN  19 106.960   3.131   9.194

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  20           H        LYS  20 109.146   6.455  12.496
    2    HA   LYS  20           HA       LYS  20 110.826   4.332  11.720
    3    HB2  LYS  20           HB2      LYS  20 112.707   5.832  12.144
    4    HB3  LYS  20           HB3      LYS  20 111.422   6.682  11.291
    5    HG2  LYS  20           HG2      LYS  20 110.599   7.432  13.603
    6    HG3  LYS  20           HG3      LYS  20 112.113   6.805  14.235
    7    HD2  LYS  20           HD2      LYS  20 111.937   8.887  12.040
    8    HD3  LYS  20           HD3      LYS  20 112.203   9.261  13.744
    9    HE2  LYS  20           HE2      LYS  20 114.196   7.625  13.603
   10    HE3  LYS  20           HE3      LYS  20 114.004   7.768  11.862
   11    HZ1  LYS  20           HZ1      LYS  20 114.177  10.197  12.116
   12    HZ2  LYS  20           HZ2      LYS  20 114.510   9.976  13.767
   13    HZ3  LYS  20           HZ3      LYS  20 115.583   9.379  12.594

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ASN  21           H        ASN  21 109.946   5.619  14.831
    2    HA   ASN  21           HA       ASN  21 111.945   4.171  16.308
    3    HB2  ASN  21           HB2      ASN  21 109.553   5.817  17.028
    4    HB3  ASN  21           HB3      ASN  21 110.389   4.884  18.259
    5   HD21  ASN  21          HD21      ASN  21 110.296   7.917  16.899
    6   HD22  ASN  21          HD22      ASN  21 111.888   8.414  17.217

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  22           H        LYS  22 108.584   3.623  15.411
    2    HA   LYS  22           HA       LYS  22 108.006   1.632  17.207
    3    HB2  LYS  22           HB2      LYS  22 107.004   2.164  14.450
    4    HB3  LYS  22           HB3      LYS  22 106.356   0.853  15.415
    5    HG2  LYS  22           HG2      LYS  22 106.130   2.810  17.257
    6    HG3  LYS  22           HG3      LYS  22 106.102   3.816  15.819
    7    HD2  LYS  22           HD2      LYS  22 104.268   1.440  16.223
    8    HD3  LYS  22           HD3      LYS  22 103.835   3.102  16.628
    9    HE2  LYS  22           HE2      LYS  22 104.148   3.799  14.324
   10    HE3  LYS  22           HE3      LYS  22 104.745   2.194  13.891
   11    HZ1  LYS  22           HZ1      LYS  22 102.068   2.585  15.082
   12    HZ2  LYS  22           HZ2      LYS  22 102.318   2.714  13.408
   13    HZ3  LYS  22           HZ3      LYS  22 102.649   1.252  14.207

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  23           HA       PRO  23 110.687  -1.765  16.091
    2    HB2  PRO  23           HB2      PRO  23 108.458  -3.587  16.866
    3    HB3  PRO  23           HB3      PRO  23 110.134  -3.542  17.445
    4    HG2  PRO  23           HG2      PRO  23 108.111  -2.655  18.943
    5    HG3  PRO  23           HG3      PRO  23 109.708  -1.883  18.965
    6    HD2  PRO  23           HD2      PRO  23 107.176  -0.930  17.666
    7    HD3  PRO  23           HD3      PRO  23 108.485  -0.010  18.443

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  24           H        GLY  24 111.021  -3.222  14.457
    2    HA2  GLY  24           HA2      GLY  24 108.887  -4.083  12.703
    3    HA3  GLY  24           HA3      GLY  24 110.585  -4.537  12.591

  No H/Q in entry =           3
  In of MODEL    6
    1    H    VAL  25           H        VAL  25 109.825  -1.200  12.941
    2    HA   VAL  25           HA       VAL  25 109.780  -0.685  10.076
    3    HB   VAL  25           HB       VAL  25 109.895   1.256  12.393

  No H/Q in entry =           3
  In of MODEL    6
    1    H    VAL  26           H        VAL  26 111.447   0.017   8.900
    2    HA   VAL  26           HA       VAL  26 114.045   0.566  10.236
    3    HB   VAL  26           HB       VAL  26 113.450  -0.951   7.690

  No H/Q in entry =           3
  In of MODEL    6
    1    H    VAL  27           H        VAL  27 114.632   2.634   9.936
    2    HA   VAL  27           HA       VAL  27 113.362   4.132   7.778
    3    HB   VAL  27           HB       VAL  27 113.104   5.119   9.986

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  28           H        LEU  28 114.334   5.333   6.307
    2    HA   LEU  28           HA       LEU  28 117.176   4.668   5.856
    3    HB2  LEU  28           HB2      LEU  28 115.033   5.446   3.876
    4    HB3  LEU  28           HB3      LEU  28 116.686   5.103   3.458
    5    HG   LEU  28           HG       LEU  28 114.767   3.116   4.701
    6   HD11  LEU  28          HD11      LEU  28 114.373   3.878   2.294
    7   HD12  LEU  28          HD12      LEU  28 115.945   3.199   1.917
    8   HD13  LEU  28          HD13      LEU  28 114.651   2.154   2.492
    9   HD21  LEU  28          HD21      LEU  28 117.643   2.946   3.748
   10   HD22  LEU  28          HD22      LEU  28 117.021   2.529   5.343
   11   HD23  LEU  28          HD23      LEU  28 116.621   1.526   3.956

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   PRO  29           HA       PRO  29 118.365   8.877   6.012
    2    HB2  PRO  29           HB2      PRO  29 119.593   8.747   3.313
    3    HB3  PRO  29           HB3      PRO  29 120.345   9.153   4.866
    4    HG2  PRO  29           HG2      PRO  29 120.807   6.816   3.713
    5    HG3  PRO  29           HG3      PRO  29 120.597   6.928   5.471
    6    HD2  PRO  29           HD2      PRO  29 118.639   6.038   3.395
    7    HD3  PRO  29           HD3      PRO  29 118.986   5.318   4.977

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  30           H        SER  30 116.861   7.784   3.052
    2    HA   SER  30           HA       SER  30 116.130  10.322   2.010
    3    HB2  SER  30           HB2      SER  30 114.634   7.727   1.568
    4    HB3  SER  30           HB3      SER  30 114.774   9.110   0.473
    5    HG   SER  30           HG       SER  30 117.183   8.054   1.261

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  31           H        GLY  31 115.130   8.550   4.671
    2    HA2  GLY  31           HA2      GLY  31 112.873  10.349   5.144
    3    HA3  GLY  31           HA3      GLY  31 113.629   9.286   6.324

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU  32           H        LEU  32 113.295   7.517   3.569
    2    HA   LEU  32           HA       LEU  32 110.515   6.836   3.825
    3    HB2  LEU  32           HB2      LEU  32 111.656   6.710   1.643
    4    HB3  LEU  32           HB3      LEU  32 112.743   5.497   2.266
    5    HG   LEU  32           HG       LEU  32 110.776   4.709   0.809
    6   HD11  LEU  32          HD11      LEU  32 112.164   3.264   2.358
    7   HD12  LEU  32          HD12      LEU  32 110.822   3.366   3.473
    8   HD13  LEU  32          HD13      LEU  32 110.584   2.656   1.895
    9   HD21  LEU  32          HD21      LEU  32 109.106   6.127   1.956
   10   HD22  LEU  32          HD22      LEU  32 108.622   4.451   1.845
   11   HD23  LEU  32          HD23      LEU  32 109.203   5.086   3.364

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLN  33           H        GLN  33 109.674   5.197   5.040
    2    HA   GLN  33           HA       GLN  33 111.573   3.444   6.490
    3    HB2  GLN  33           HB2      GLN  33 108.977   4.654   7.426
    4    HB3  GLN  33           HB3      GLN  33 109.895   3.466   8.321
    5    HG2  GLN  33           HG2      GLN  33 110.877   5.301   9.262
    6    HG3  GLN  33           HG3      GLN  33 111.801   5.320   7.799
    7   HE21  GLN  33          HE21      GLN  33 111.410   7.677   9.203
    8   HE22  GLN  33          HE22      GLN  33 110.425   8.684   8.264

  No H/Q in entry =           8
  In of MODEL    6
    1    H    TYR  34           H        TYR  34 111.178   1.304   6.513
    2    HA   TYR  34           HA       TYR  34 108.565   0.369   5.569
    3    HB2  TYR  34           HB2      TYR  34 109.573  -1.329   4.157
    4    HB3  TYR  34           HB3      TYR  34 110.055   0.273   3.627
    5    HD1  TYR  34           HD1      TYR  34 111.144  -2.595   5.706
    6    HD2  TYR  34           HD2      TYR  34 112.365   0.848   3.464
    7    HE1  TYR  34           HE1      TYR  34 113.509  -3.284   5.961
    8    HE2  TYR  34           HE2      TYR  34 114.739   0.163   3.712
    9    HH   TYR  34           HH       TYR  34 115.760  -2.716   4.391

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS  35           H        LYS  35 107.787  -1.412   6.399
    2    HA   LYS  35           HA       LYS  35 109.372  -2.721   8.500
    3    HB2  LYS  35           HB2      LYS  35 107.632  -1.245   9.406
    4    HB3  LYS  35           HB3      LYS  35 106.409  -2.137   8.531
    5    HG2  LYS  35           HG2      LYS  35 108.178  -3.817  10.145
    6    HG3  LYS  35           HG3      LYS  35 107.281  -2.670  11.111
    7    HD2  LYS  35           HD2      LYS  35 105.193  -3.470  10.020
    8    HD3  LYS  35           HD3      LYS  35 106.148  -4.691   9.177
    9    HE2  LYS  35           HE2      LYS  35 105.131  -5.591  11.247
   10    HE3  LYS  35           HE3      LYS  35 106.887  -5.614  11.306
   11    HZ1  LYS  35           HZ1      LYS  35 105.270  -3.398  12.412
   12    HZ2  LYS  35           HZ2      LYS  35 105.746  -4.736  13.339
   13    HZ3  LYS  35           HZ3      LYS  35 106.920  -3.712  12.666

  No H/Q in entry =          13
  In of MODEL    6
    1    H    VAL  36           H        VAL  36 109.514  -4.818   8.351
    2    HA   VAL  36           HA       VAL  36 108.155  -6.108   6.116
    3    HB   VAL  36           HB       VAL  36 110.485  -6.514   6.245

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ILE  37           H        ILE  37 106.170  -6.666   6.471
    2    HA   ILE  37           HA       ILE  37 105.150  -7.599   8.969
    3    HB   ILE  37           HB       ILE  37 103.914  -8.144   6.268
    4   HD11  ILE  37          HD11      ILE  37 104.116  -5.721   8.980
    5   HD12  ILE  37          HD12      ILE  37 104.028  -4.274   8.009
    6   HD13  ILE  37          HD13      ILE  37 102.566  -5.169   8.404

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASN  38           H        ASN  38 106.230  -9.059   5.983
    2    HA   ASN  38           HA       ASN  38 106.638 -11.627   7.331
    3    HB2  ASN  38           HB2      ASN  38 105.069 -11.227   4.799
    4    HB3  ASN  38           HB3      ASN  38 105.631 -12.774   5.357
    5   HD21  ASN  38          HD21      ASN  38 103.392 -10.118   6.141
    6   HD22  ASN  38          HD22      ASN  38 102.469 -11.013   7.247

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER  39           H        SER  39 108.648 -12.342   6.838
    2    HA   SER  39           HA       SER  39 110.140 -11.034   4.707
    3    HB2  SER  39           HB2      SER  39 112.044 -11.859   5.693
    4    HB3  SER  39           HB3      SER  39 110.977 -11.773   7.094
    5    HG   SER  39           HG       SER  39 111.466 -14.044   5.450

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  40           H        GLY  40 110.474 -11.831   2.753
    2    HA2  GLY  40           HA2      GLY  40 109.508 -13.292   1.054
    3    HA3  GLY  40           HA3      GLY  40 109.729 -14.630   2.171

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASN  41           H        ASN  41 111.969 -11.992   1.547
    2    HA   ASN  41           HA       ASN  41 114.121 -11.943   0.754
    3    HB2  ASN  41           HB2      ASN  41 114.148 -14.850   1.547
    4    HB3  ASN  41           HB3      ASN  41 115.539 -13.777   1.388
    5   HD21  ASN  41          HD21      ASN  41 113.190 -11.815   2.578
    6   HD22  ASN  41          HD22      ASN  41 113.443 -12.006   4.247

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  42           H        GLY  42 111.947 -12.611  -1.104
    2    HA2  GLY  42           HA2      GLY  42 111.577 -13.747  -3.125
    3    HA3  GLY  42           HA3      GLY  42 113.151 -14.500  -2.979

  No H/Q in entry =           3
  In of MODEL    6
    1    H    VAL  43           H        VAL  43 112.141 -13.440  -5.266
    2    HA   VAL  43           HA       VAL  43 114.224 -11.697  -6.112
    3    HB   VAL  43           HB       VAL  43 113.154 -11.789  -8.286

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  44           H        LYS  44 113.292  -9.790  -7.604
    2    HA   LYS  44           HA       LYS  44 111.100  -8.317  -6.861
    3    HB2  LYS  44           HB2      LYS  44 111.801  -6.662  -5.306
    4    HB3  LYS  44           HB3      LYS  44 112.224  -8.189  -4.609
    5    HG2  LYS  44           HG2      LYS  44 114.332  -6.814  -6.231
    6    HG3  LYS  44           HG3      LYS  44 113.939  -6.135  -4.669
    7    HD2  LYS  44           HD2      LYS  44 114.368  -9.100  -4.781
    8    HD3  LYS  44           HD3      LYS  44 115.791  -8.075  -4.950
    9    HE2  LYS  44           HE2      LYS  44 115.454  -7.097  -2.798
   10    HE3  LYS  44           HE3      LYS  44 113.806  -7.692  -2.691
   11    HZ1  LYS  44           HZ1      LYS  44 115.989  -9.619  -3.023
   12    HZ2  LYS  44           HZ2      LYS  44 115.757  -8.916  -1.496
   13    HZ3  LYS  44           HZ3      LYS  44 114.502  -9.796  -2.228

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  45           HA       PRO  45 112.646  -6.078 -10.287
    2    HB2  PRO  45           HB2      PRO  45 110.890  -3.993 -10.330
    3    HB3  PRO  45           HB3      PRO  45 110.434  -5.657 -10.697
    4    HG2  PRO  45           HG2      PRO  45 109.823  -4.013  -8.337
    5    HG3  PRO  45           HG3      PRO  45 109.042  -5.466  -8.949
    6    HD2  PRO  45           HD2      PRO  45 110.919  -5.266  -6.787
    7    HD3  PRO  45           HD3      PRO  45 110.040  -6.706  -7.377

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  46           H        GLY  46 113.675  -4.273 -11.167
    2    HA2  GLY  46           HA2      GLY  46 115.428  -2.706 -10.975
    3    HA3  GLY  46           HA3      GLY  46 115.076  -2.560  -9.258

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  47           H        LYS  47 115.350  -0.239 -10.191
    2    HA   LYS  47           HA       LYS  47 112.925   1.064  -9.938
    3    HB2  LYS  47           HB2      LYS  47 114.022   3.063 -10.781
    4    HB3  LYS  47           HB3      LYS  47 115.028   2.240  -9.601
    5    HG2  LYS  47           HG2      LYS  47 115.342   1.722 -12.579
    6    HG3  LYS  47           HG3      LYS  47 116.099   3.109 -11.825
    7    HD2  LYS  47           HD2      LYS  47 117.839   1.675 -11.469
    8    HD3  LYS  47           HD3      LYS  47 116.915   1.155 -10.085
    9    HE2  LYS  47           HE2      LYS  47 117.099  -0.903 -10.981
   10    HE3  LYS  47           HE3      LYS  47 115.938  -0.415 -12.198
   11    HZ1  LYS  47           HZ1      LYS  47 118.874  -0.061 -12.392
   12    HZ2  LYS  47           HZ2      LYS  47 117.987  -1.298 -13.145
   13    HZ3  LYS  47           HZ3      LYS  47 117.739   0.322 -13.594

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  48           H        SER  48 114.298  -0.445 -12.681
    2    HA   SER  48           HA       SER  48 112.375   0.932 -14.465
    3    HB2  SER  48           HB2      SER  48 114.938  -0.559 -14.953
    4    HB3  SER  48           HB3      SER  48 113.838  -0.145 -16.265
    5    HG   SER  48           HG       SER  48 114.738   1.759 -14.377

  No H/Q in entry =           5
  In of MODEL    6
    1    H    ASP  49           H        ASP  49 112.686  -1.992 -12.793
    2    HA   ASP  49           HA       ASP  49 111.464  -3.678 -14.847
    3    HB2  ASP  49           HB2      ASP  49 112.146  -4.117 -11.979
    4    HB3  ASP  49           HB3      ASP  49 111.447  -5.344 -12.992

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR  50           H        THR  50 109.447  -4.956 -14.136
    2    HA   THR  50           HA       THR  50 107.507  -3.072 -12.933
    3    HB   THR  50           HB       THR  50 106.796  -5.257 -14.867
    4    HG1  THR  50           HG1      THR  50 107.739  -2.677 -15.240
    5   HG21  THR  50          HG21      THR  50 105.359  -2.845 -13.788
    6   HG22  THR  50          HG22      THR  50 104.788  -3.815 -15.143
    7   HG23  THR  50          HG23      THR  50 104.953  -4.557 -13.553

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  51           H        VAL  51 106.009  -3.762 -11.495
    2    HA   VAL  51           HA       VAL  51 106.582  -6.381 -10.238
    3    HB   VAL  51           HB       VAL  51 107.505  -4.275  -9.154

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  52           H        THR  52 104.885  -7.194  -8.790
    2    HA   THR  52           HA       THR  52 102.145  -6.230  -9.477
    3    HB   THR  52           HB       THR  52 103.105  -9.095  -9.353
    4    HG1  THR  52           HG1      THR  52 101.991  -7.553 -11.450
    5   HG21  THR  52          HG21      THR  52 100.371  -7.862  -9.408
    6   HG22  THR  52          HG22      THR  52 100.657  -9.420 -10.176
    7   HG23  THR  52          HG23      THR  52 100.970  -9.229  -8.461

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  53           H        VAL  53 101.119  -5.632  -7.609
    2    HA   VAL  53           HA       VAL  53 101.641  -7.171  -5.126
    3    HB   VAL  53           HB       VAL  53 102.171  -5.141  -3.918

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLU  54           H        GLU  54 100.272  -6.527  -3.282
    2    HA   GLU  54           HA       GLU  54  97.691  -5.232  -4.080
    3    HB2  GLU  54           HB2      GLU  54  97.754  -7.101  -1.708
    4    HB3  GLU  54           HB3      GLU  54  96.418  -6.602  -2.714
    5    HG2  GLU  54           HG2      GLU  54  96.729  -8.230  -4.248
    6    HG3  GLU  54           HG3      GLU  54  98.458  -8.218  -4.126

  No H/Q in entry =           6
  In of MODEL    6
    1    H    TYR  55           H        TYR  55  96.908  -3.647  -2.463
    2    HA   TYR  55           HA       TYR  55  98.522  -3.279  -0.068
    3    HB2  TYR  55           HB2      TYR  55  99.311  -1.038  -0.851
    4    HB3  TYR  55           HB3      TYR  55  99.974  -2.401  -1.765
    5    HD1  TYR  55           HD1      TYR  55  97.397   0.251  -1.774
    6    HD2  TYR  55           HD2      TYR  55  99.354  -2.778  -4.079
    7    HE1  TYR  55           HE1      TYR  55  96.273   1.092  -3.806
    8    HE2  TYR  55           HE2      TYR  55  98.238  -1.924  -6.115
    9    HH   TYR  55           HH       TYR  55  97.178   0.092  -6.945

  No H/Q in entry =           9
  In of MODEL    6
    1    H    THR  56           H        THR  56  98.031  -1.249   1.091
    2    HA   THR  56           HA       THR  56  95.459  -0.028   0.491
    3    HB   THR  56           HB       THR  56  96.101  -1.385   3.040
    4    HG1  THR  56           HG1      THR  56  94.149  -1.316   1.151
    5   HG21  THR  56          HG21      THR  56  95.773   1.013   3.684
    6   HG22  THR  56          HG22      THR  56  94.230   0.989   2.837
    7   HG23  THR  56          HG23      THR  56  94.474  -0.019   4.260

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  57           H        GLY  57  95.531   2.155   0.512
    2    HA2  GLY  57           HA2      GLY  57  97.175   3.981   0.263
    3    HA3  GLY  57           HA3      GLY  57  97.966   3.378   1.710

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ARG  58           H        ARG  58  97.692   4.916   3.261
    2    HA   ARG  58           HA       ARG  58  95.167   6.355   3.385
    3    HB2  ARG  58           HB2      ARG  58  94.537   5.676   5.512
    4    HB3  ARG  58           HB3      ARG  58  95.110   4.177   4.787
    5    HG2  ARG  58           HG2      ARG  58  97.248   4.352   5.911
    6    HG3  ARG  58           HG3      ARG  58  96.860   5.941   6.543
    7    HD2  ARG  58           HD2      ARG  58  96.431   4.535   8.346
    8    HD3  ARG  58           HD3      ARG  58  94.840   4.794   7.645
    9    HE   ARG  58           HE       ARG  58  96.009   2.516   6.446
   10   HH11  ARG  58          HH11      ARG  58  94.670   3.629   9.443
   11   HH12  ARG  58          HH12      ARG  58  94.169   2.052   9.956
   12   HH21  ARG  58          HH21      ARG  58  95.344   0.462   7.110
   13   HH22  ARG  58          HH22      ARG  58  94.537   0.262   8.629

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  59           H        LEU  59  95.151   7.999   5.058
    2    HA   LEU  59           HA       LEU  59  97.598   9.556   4.991
    3    HB2  LEU  59           HB2      LEU  59  94.756   9.976   5.648
    4    HB3  LEU  59           HB3      LEU  59  95.849  10.984   6.561
    5    HG   LEU  59           HG       LEU  59  96.898  11.597   4.293
    6   HD11  LEU  59          HD11      LEU  59  95.783   9.810   2.990
    7   HD12  LEU  59          HD12      LEU  59  94.234  10.521   3.354
    8   HD13  LEU  59          HD13      LEU  59  95.378  11.406   2.385
    9   HD21  LEU  59          HD21      LEU  59  95.360  13.042   5.705
   10   HD22  LEU  59          HD22      LEU  59  95.371  13.394   3.982
   11   HD23  LEU  59          HD23      LEU  59  94.045  12.499   4.680

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE  60           H        ILE  60  98.373  10.596   6.992
    2    HA   ILE  60           HA       ILE  60  99.079   8.718   8.988
    3    HB   ILE  60           HB       ILE  60 100.099  10.522  10.119
    4   HD11  ILE  60          HD11      ILE  60  98.957  12.773   7.345
    5   HD12  ILE  60          HD12      ILE  60  97.457  12.016   7.865
    6   HD13  ILE  60          HD13      ILE  60  97.810  13.650   8.357

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ASP  61           H        ASP  61  96.466  10.765   8.504
    2    HA   ASP  61           HA       ASP  61  95.477  10.762  11.233
    3    HB2  ASP  61           HB2      ASP  61  95.421  12.747   9.707
    4    HB3  ASP  61           HB3      ASP  61  94.212  11.896   8.739

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLY  62           H        GLY  62  95.383   8.558   8.789
    2    HA2  GLY  62           HA2      GLY  62  93.006   7.283   9.931
    3    HA3  GLY  62           HA3      GLY  62  94.186   6.545   8.876

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  63           H        THR  63  93.428   9.471   7.479
    2    HA   THR  63           HA       THR  63  90.881   8.795   6.297
    3    HB   THR  63           HB       THR  63  92.860  10.702   5.083
    4    HG1  THR  63           HG1      THR  63  91.985  12.264   6.480
    5   HG21  THR  63          HG21      THR  63  90.719  10.088   3.944
    6   HG22  THR  63          HG22      THR  63  89.868  10.814   5.299
    7   HG23  THR  63          HG23      THR  63  90.906  11.811   4.283

  No H/Q in entry =           7
  In of MODEL    6
    1    H    VAL  64           H        VAL  64  90.834   6.895   5.165
    2    HA   VAL  64           HA       VAL  64  93.014   6.082   3.485
    3    HB   VAL  64           HB       VAL  64  90.234   4.955   3.710

  No H/Q in entry =           3
  In of MODEL    6
    1    H    PHE  65           H        PHE  65  93.440   6.541   1.527
    2    HA   PHE  65           HA       PHE  65  91.319   7.816  -0.117
    3    HB2  PHE  65           HB2      PHE  65  92.913   9.282  -1.033
    4    HB3  PHE  65           HB3      PHE  65  93.106   9.325   0.715
    5    HD1  PHE  65           HD1      PHE  65  94.914   7.982   1.795
    6    HD2  PHE  65           HD2      PHE  65  94.745   8.636  -2.443
    7    HE1  PHE  65           HE1      PHE  65  97.326   7.444   1.623
    8    HE2  PHE  65           HE2      PHE  65  97.161   8.091  -2.620
    9    HZ   PHE  65           HZ       PHE  65  98.448   7.509  -0.574

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP  66           H        ASP  66  93.431   5.232   0.167
    2    HA   ASP  66           HA       ASP  66  92.724   4.324  -2.495
    3    HB2  ASP  66           HB2      ASP  66  94.867   5.679  -2.726
    4    HB3  ASP  66           HB3      ASP  66  95.642   4.424  -1.759

  No H/Q in entry =           4
  In of MODEL    6
    1    H    SER  67           H        SER  67  92.745   2.079  -2.719
    2    HA   SER  67           HA       SER  67  94.066   0.456  -0.771
    3    HB2  SER  67           HB2      SER  67  92.249  -0.471   0.364
    4    HB3  SER  67           HB3      SER  67  91.914   1.258   0.335
    5    HG   SER  67           HG       SER  67  90.940   0.301  -1.893

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  68           H        THR  68  93.990  -1.788  -1.098
    2    HA   THR  68           HA       THR  68  92.726  -2.853  -3.480
    3    HB   THR  68           HB       THR  68  95.742  -2.730  -3.343
    4    HG1  THR  68           HG1      THR  68  94.806  -1.654  -5.535
    5   HG21  THR  68          HG21      THR  68  93.794  -3.948  -5.295
    6   HG22  THR  68          HG22      THR  68  95.498  -3.690  -5.668
    7   HG23  THR  68          HG23      THR  68  95.036  -4.771  -4.360

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  69           H        GLU  69  95.242  -3.339  -1.003
    2    HA   GLU  69           HA       GLU  69  95.220  -6.151  -1.043
    3    HB2  GLU  69           HB2      GLU  69  96.235  -6.062   1.150
    4    HB3  GLU  69           HB3      GLU  69  96.960  -4.933   0.028
    5    HG2  GLU  69           HG2      GLU  69  96.761  -3.563   1.845
    6    HG3  GLU  69           HG3      GLU  69  95.253  -3.251   1.016

  No H/Q in entry =           6
  In of MODEL    6
    1    H    LYS  70           H        LYS  70  92.996  -3.870   0.283
    2    HA   LYS  70           HA       LYS  70  91.669  -5.341   2.206
    3    HB2  LYS  70           HB2      LYS  70  90.488  -3.571   0.068
    4    HB3  LYS  70           HB3      LYS  70  89.654  -4.070   1.542
    5    HG2  LYS  70           HG2      LYS  70  92.300  -2.643   1.554
    6    HG3  LYS  70           HG3      LYS  70  90.769  -1.772   1.596
    7    HD2  LYS  70           HD2      LYS  70  90.188  -3.194   3.644
    8    HD3  LYS  70           HD3      LYS  70  91.868  -3.700   3.662
    9    HE2  LYS  70           HE2      LYS  70  92.648  -1.451   3.906
   10    HE3  LYS  70           HE3      LYS  70  91.022  -0.802   3.690
   11    HZ1  LYS  70           HZ1      LYS  70  91.419  -2.758   5.822
   12    HZ2  LYS  70           HZ2      LYS  70  92.067  -1.212   6.063
   13    HZ3  LYS  70           HZ3      LYS  70  90.405  -1.397   5.769

  No H/Q in entry =          13
  In of MODEL    6
    1    H    THR  71           H        THR  71  91.511  -5.404  -1.262
    2    HA   THR  71           HA       THR  71  89.633  -7.603  -1.442
    3    HB   THR  71           HB       THR  71  89.820  -7.312  -3.775
    4    HG1  THR  71           HG1      THR  71  92.115  -5.813  -3.137
    5   HG21  THR  71          HG21      THR  71  88.611  -5.541  -2.492
    6   HG22  THR  71          HG22      THR  71  90.080  -4.569  -2.540
    7   HG23  THR  71          HG23      THR  71  89.241  -4.973  -4.038

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  72           H        GLY  72  93.063  -6.995  -1.620
    2    HA2  GLY  72           HA2      GLY  72  93.696  -9.781  -1.296
    3    HA3  GLY  72           HA3      GLY  72  94.836  -8.445  -1.342

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS  73           H        LYS  73  93.192  -7.685  -3.900
    2    HA   LYS  73           HA       LYS  73  94.250  -9.683  -5.761
    3    HB2  LYS  73           HB2      LYS  73  92.344  -7.378  -5.994
    4    HB3  LYS  73           HB3      LYS  73  92.987  -8.183  -7.431
    5    HG2  LYS  73           HG2      LYS  73  91.943 -10.206  -6.939
    6    HG3  LYS  73           HG3      LYS  73  91.771  -9.832  -5.222
    7    HD2  LYS  73           HD2      LYS  73  90.110  -8.098  -5.764
    8    HD3  LYS  73           HD3      LYS  73  90.262  -8.481  -7.480
    9    HE2  LYS  73           HE2      LYS  73  89.211 -10.248  -5.271
   10    HE3  LYS  73           HE3      LYS  73  88.328  -9.637  -6.668
   11    HZ1  LYS  73           HZ1      LYS  73  90.636 -11.503  -6.786
   12    HZ2  LYS  73           HZ2      LYS  73  89.008 -11.947  -6.959
   13    HZ3  LYS  73           HZ3      LYS  73  89.738 -10.935  -8.112

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  74           HA       PRO  74  97.883  -7.091  -6.131
    2    HB2  PRO  74           HB2      PRO  74  98.540  -8.842  -8.439
    3    HB3  PRO  74           HB3      PRO  74  99.499  -8.441  -7.003
    4    HG2  PRO  74           HG2      PRO  74  98.370 -10.819  -7.239
    5    HG3  PRO  74           HG3      PRO  74  98.402  -9.976  -5.688
    6    HD2  PRO  74           HD2      PRO  74  96.152 -10.221  -7.636
    7    HD3  PRO  74           HD3      PRO  74  96.184 -10.410  -5.874

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  75           H        ALA  75  98.717  -5.524  -7.402
    2    HA   ALA  75           HA       ALA  75  97.407  -4.923  -9.989
    3    HB1  ALA  75           HB1      ALA  75  96.795  -3.412  -7.914
    4    HB2  ALA  75           HB2      ALA  75  97.133  -2.678  -9.482
    5    HB3  ALA  75           HB3      ALA  75  98.377  -2.703  -8.237

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  76           H        THR  76  98.827  -3.924 -11.551
    2    HA   THR  76           HA       THR  76 101.670  -4.416 -10.965
    3    HB   THR  76           HB       THR  76 101.113  -5.718 -12.787
    4    HG1  THR  76           HG1      THR  76 101.953  -4.624 -14.603
    5   HG21  THR  76          HG21      THR  76  99.313  -3.423 -13.581
    6   HG22  THR  76          HG22      THR  76  99.617  -4.806 -14.625
    7   HG23  THR  76          HG23      THR  76  98.840  -5.037 -13.068

  No H/Q in entry =           7
  In of MODEL    6
    1    H    PHE  77           H        PHE  77 103.204  -2.940 -11.083
    2    HA   PHE  77           HA       PHE  77 102.689  -0.363 -12.389
    3    HB2  PHE  77           HB2      PHE  77 103.985  -0.513  -9.659
    4    HB3  PHE  77           HB3      PHE  77 103.641   0.922 -10.598
    5    HD1  PHE  77           HD1      PHE  77 102.482  -1.232  -8.069
    6    HD2  PHE  77           HD2      PHE  77 101.172   1.386 -11.205
    7    HE1  PHE  77           HE1      PHE  77 100.263  -1.034  -6.973
    8    HE2  PHE  77           HE2      PHE  77  98.969   1.604 -10.112
    9    HZ   PHE  77           HZ       PHE  77  98.505   0.387  -8.002

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLN  78           H        GLN  78 104.561   0.693 -12.935
    2    HA   GLN  78           HA       GLN  78 106.949  -0.988 -13.117
    3    HB2  GLN  78           HB2      GLN  78 106.188   1.600 -14.434
    4    HB3  GLN  78           HB3      GLN  78 107.815   0.953 -14.501
    5    HG2  GLN  78           HG2      GLN  78 106.902  -1.145 -15.429
    6    HG3  GLN  78           HG3      GLN  78 105.314  -0.405 -15.497
    7   HE21  GLN  78          HE21      GLN  78 107.251   2.109 -16.000
    8   HE22  GLN  78          HE22      GLN  78 107.425   2.090 -17.685

  No H/Q in entry =           8
  In of MODEL    6
    1    H    VAL  79           H        VAL  79 108.614  -0.647 -11.763
    2    HA   VAL  79           HA       VAL  79 108.250   0.867  -9.480
    3    HB   VAL  79           HB       VAL  79 110.922   0.143 -10.687

  No H/Q in entry =           3
  In of MODEL    6
    1    H    SER  80           H        SER  80 109.565   1.817 -12.629
    2    HA   SER  80           HA       SER  80 110.797   4.205 -11.686
    3    HB2  SER  80           HB2      SER  80 111.623   3.383 -13.732
    4    HB3  SER  80           HB3      SER  80 110.011   3.249 -14.416
    5    HG   SER  80           HG       SER  80 111.165   5.111 -15.141

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLN  81           H        GLN  81 107.580   3.383 -12.628
    2    HA   GLN  81           HA       GLN  81 106.775   6.201 -12.887
    3    HB2  GLN  81           HB2      GLN  81 105.059   3.745 -13.201
    4    HB3  GLN  81           HB3      GLN  81 104.723   5.378 -13.767
    5    HG2  GLN  81           HG2      GLN  81 107.054   3.707 -14.708
    6    HG3  GLN  81           HG3      GLN  81 105.492   3.798 -15.529
    7   HE21  GLN  81          HE21      GLN  81 108.576   5.220 -15.353
    8   HE22  GLN  81          HE22      GLN  81 108.223   6.654 -16.188

  No H/Q in entry =           8
  In of MODEL    6
    1    H    VAL  82           H        VAL  82 106.753   3.693 -10.492
    2    HA   VAL  82           HA       VAL  82 104.292   4.560  -9.244
    3    HB   VAL  82           HB       VAL  82 105.412   2.252  -9.231

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ILE  83           H        ILE  83 104.399   5.135  -6.725
    2    HA   ILE  83           HA       ILE  83 105.536   7.637  -6.556
    3    HB   ILE  83           HB       ILE  83 105.267   6.578  -3.861
    4   HD11  ILE  83          HD11      ILE  83 103.284   6.082  -2.747
    5   HD12  ILE  83          HD12      ILE  83 101.957   6.726  -3.718
    6   HD13  ILE  83          HD13      ILE  83 102.142   4.985  -3.510

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   PRO  84           HA       PRO  84 109.892   7.182  -5.714
    2    HB2  PRO  84           HB2      PRO  84 109.511   8.964  -3.339
    3    HB3  PRO  84           HB3      PRO  84 110.685   9.104  -4.663
    4    HG2  PRO  84           HG2      PRO  84 108.583  10.691  -4.556
    5    HG3  PRO  84           HG3      PRO  84 109.125  10.021  -6.099
    6    HD2  PRO  84           HD2      PRO  84 106.815   9.212  -4.421
    7    HD3  PRO  84           HD3      PRO  84 106.927   9.277  -6.180

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  85           H        GLY  85 107.948   7.300  -2.718
    2    HA2  GLY  85           HA2      GLY  85 107.989   5.905  -0.876
    3    HA3  GLY  85           HA3      GLY  85 109.739   5.919  -1.071

  No H/Q in entry =           3
  In of MODEL    6
    1    H    TRP  86           H        TRP  86 107.110   4.794  -3.067
    2    HA   TRP  86           HA       TRP  86 107.383   1.998  -2.635
    3    HB2  TRP  86           HB2      TRP  86 106.039   3.800  -4.618
    4    HB3  TRP  86           HB3      TRP  86 106.205   2.099  -5.037
    5    HD1  TRP  86           HD1      TRP  86 104.913   4.115  -1.955
    6    HE1  TRP  86           HE1      TRP  86 102.857   2.887  -1.057
    7    HE3  TRP  86           HE3      TRP  86 104.872   0.168  -5.094
    8    HZ2  TRP  86           HZ2      TRP  86 101.406   0.472  -1.605
    9    HZ3  TRP  86           HZ3      TRP  86 103.175  -1.582  -4.890
   10    HH2  TRP  86           HH2      TRP  86 101.423  -1.435  -3.153

  No H/Q in entry =          10
  In of MODEL    6
    1    H    THR  87           H        THR  87 108.743   4.254  -5.001
    2    HA   THR  87           HA       THR  87 109.832   2.526  -6.830
    3    HB   THR  87           HB       THR  87 111.190   5.012  -5.803
    4    HG1  THR  87           HG1      THR  87 109.120   4.686  -7.704
    5   HG21  THR  87          HG21      THR  87 112.369   3.479  -7.476
    6   HG22  THR  87          HG22      THR  87 111.101   3.941  -8.595
    7   HG23  THR  87          HG23      THR  87 112.158   5.160  -7.951

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLU  88           H        GLU  88 111.449   3.787  -3.934
    2    HA   GLU  88           HA       GLU  88 113.736   2.113  -4.250
    3    HB2  GLU  88           HB2      GLU  88 113.764   4.302  -3.087
    4    HB3  GLU  88           HB3      GLU  88 112.815   3.590  -1.780
    5    HG2  GLU  88           HG2      GLU  88 114.581   1.940  -1.365
    6    HG3  GLU  88           HG3      GLU  88 115.525   2.589  -2.705

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ALA  89           H        ALA  89 110.845   1.906  -2.213
    2    HA   ALA  89           HA       ALA  89 111.633  -0.212  -0.566
    3    HB1  ALA  89           HB1      ALA  89 108.892   0.584  -1.533
    4    HB2  ALA  89           HB2      ALA  89 109.692   1.093  -0.046
    5    HB3  ALA  89           HB3      ALA  89 109.204  -0.584  -0.258

  No H/Q in entry =           5
  In of MODEL    6
    1    H    LEU  90           H        LEU  90 109.783  -0.436  -3.652
    2    HA   LEU  90           HA       LEU  90 109.345  -3.206  -3.586
    3    HB2  LEU  90           HB2      LEU  90 109.882  -1.437  -5.979
    4    HB3  LEU  90           HB3      LEU  90 109.189  -3.042  -6.045
    5    HG   LEU  90           HG       LEU  90 107.955  -0.811  -4.425
    6   HD11  LEU  90          HD11      LEU  90 107.631  -1.546  -7.314
    7   HD12  LEU  90          HD12      LEU  90 106.377  -0.697  -6.455
    8   HD13  LEU  90          HD13      LEU  90 107.973   0.021  -6.627
    9   HD21  LEU  90          HD21      LEU  90 107.074  -3.523  -5.350
   10   HD22  LEU  90          HD22      LEU  90 107.036  -2.867  -3.732
   11   HD23  LEU  90          HD23      LEU  90 105.894  -2.301  -4.953

  No H/Q in entry =          11
  In of MODEL    6
    1    H    GLN  91           H        GLN  91 112.039  -1.308  -4.786
    2    HA   GLN  91           HA       GLN  91 113.518  -3.363  -5.963
    3    HB2  GLN  91           HB2      GLN  91 114.386  -0.744  -4.759
    4    HB3  GLN  91           HB3      GLN  91 115.399  -1.756  -5.788
    5    HG2  GLN  91           HG2      GLN  91 113.804  -1.563  -7.612
    6    HG3  GLN  91           HG3      GLN  91 112.695  -0.668  -6.584
    7   HE21  GLN  91          HE21      GLN  91 112.750   1.406  -7.565
    8   HE22  GLN  91          HE22      GLN  91 114.172   2.306  -7.783

  No H/Q in entry =           8
  In of MODEL    6
    1    H    LEU  92           H        LEU  92 113.100  -2.404  -2.666
    2    HA   LEU  92           HA       LEU  92 115.381  -4.071  -1.782
    3    HB2  LEU  92           HB2      LEU  92 113.618  -2.173  -0.217
    4    HB3  LEU  92           HB3      LEU  92 115.021  -3.030   0.412
    5    HG   LEU  92           HG       LEU  92 115.131  -1.027  -1.850
    6   HD11  LEU  92          HD11      LEU  92 115.849  -0.725   1.051
    7   HD12  LEU  92          HD12      LEU  92 116.122   0.473  -0.214
    8   HD13  LEU  92          HD13      LEU  92 114.480   0.031   0.236
    9   HD21  LEU  92          HD21      LEU  92 117.195  -2.555  -0.309
   10   HD22  LEU  92          HD22      LEU  92 116.991  -2.477  -2.058
   11   HD23  LEU  92          HD23      LEU  92 117.586  -1.078  -1.177

  No H/Q in entry =          11
  In of MODEL    6
    1    H    MET  93           H        MET  93 112.024  -4.063  -2.134
    2    HA   MET  93           HA       MET  93 111.424  -5.846   0.034
    3    HB2  MET  93           HB2      MET  93 109.872  -4.134  -0.830
    4    HB3  MET  93           HB3      MET  93 109.767  -5.047  -2.335
    5    HG2  MET  93           HG2      MET  93 109.029  -7.027  -0.946
    6    HG3  MET  93           HG3      MET  93 108.877  -5.907   0.410
    7    HE1  MET  93           HE1      MET  93 106.778  -6.801   0.638
    8    HE2  MET  93           HE2      MET  93 105.977  -5.235   0.684
    9    HE3  MET  93           HE3      MET  93 105.333  -6.520  -0.324

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   PRO  94           HA       PRO  94 112.492  -9.408  -2.695
    2    HB2  PRO  94           HB2      PRO  94 112.144 -10.989  -0.238
    3    HB3  PRO  94           HB3      PRO  94 113.561 -10.866  -1.291
    4    HG2  PRO  94           HG2      PRO  94 113.551  -9.774   1.139
    5    HG3  PRO  94           HG3      PRO  94 114.327  -8.960  -0.233
    6    HD2  PRO  94           HD2      PRO  94 111.613  -8.454   0.939
    7    HD3  PRO  94           HD3      PRO  94 112.889  -7.314   0.530

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  95           H        ALA  95 111.259 -10.937  -3.682
    2    HA   ALA  95           HA       ALA  95 108.466 -10.696  -3.488
    3    HB1  ALA  95           HB1      ALA  95 110.179 -12.693  -4.914
    4    HB2  ALA  95           HB2      ALA  95 108.414 -12.656  -5.037
    5    HB3  ALA  95           HB3      ALA  95 109.364 -11.281  -5.587

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  96           H        GLY  96 106.918 -11.765  -2.540
    2    HA2  GLY  96           HA2      GLY  96 107.560 -14.230  -1.067
    3    HA3  GLY  96           HA3      GLY  96 105.953 -13.618  -1.465

  No H/Q in entry =           3
  In of MODEL    6
    1    H    SER  97           H        SER  97 108.239 -11.277  -0.427
    2    HA   SER  97           HA       SER  97 107.477 -11.468   2.385
    3    HB2  SER  97           HB2      SER  97 109.257 -10.038   2.808
    4    HB3  SER  97           HB3      SER  97 109.823 -10.828   1.338
    5    HG   SER  97           HG       SER  97 108.709  -9.012   0.238

  No H/Q in entry =           5
  In of MODEL    6
    1    H    THR  98           H        THR  98 106.163 -10.079   3.435
    2    HA   THR  98           HA       THR  98 104.737  -8.072   1.808
    3    HB   THR  98           HB       THR  98 103.817  -9.419   4.348
    4    HG1  THR  98           HG1      THR  98 102.439  -9.842   2.028
    5   HG21  THR  98          HG21      THR  98 102.540  -7.482   2.400
    6   HG22  THR  98          HG22      THR  98 101.645  -8.419   3.601
    7   HG23  THR  98          HG23      THR  98 102.853  -7.250   4.120

  No H/Q in entry =           7
  In of MODEL    6
    1    H    TRP  99           H        TRP  99 105.509  -6.092   2.154
    2    HA   TRP  99           HA       TRP  99 106.367  -5.372   4.896
    3    HB2  TRP  99           HB2      TRP  99 107.232  -4.150   2.267
    4    HB3  TRP  99           HB3      TRP  99 107.691  -3.554   3.847
    5    HD1  TRP  99           HD1      TRP  99 107.805  -7.225   4.041
    6    HE1  TRP  99           HE1      TRP  99 110.196  -8.064   3.762
    7    HE3  TRP  99           HE3      TRP  99 109.963  -2.968   2.267
    8    HZ2  TRP  99           HZ2      TRP  99 112.731  -7.052   2.901
    9    HZ3  TRP  99           HZ3      TRP  99 112.388  -2.930   1.739
   10    HH2  TRP  99           HH2      TRP  99 113.771  -4.962   2.062

  No H/Q in entry =          10
  In of MODEL    6
    1    H    GLU 100           H        GLU 100 106.096  -3.193   5.511
    2    HA   GLU 100           HA       GLU 100 103.833  -1.761   4.276
    3    HB2  GLU 100           HB2      GLU 100 104.473  -2.127   7.208
    4    HB3  GLU 100           HB3      GLU 100 103.486  -0.788   6.628
    5    HG2  GLU 100           HG2      GLU 100 101.898  -2.317   5.649
    6    HG3  GLU 100           HG3      GLU 100 102.890  -3.693   6.070

  No H/Q in entry =           6
  In of MODEL    6
    1    H    ILE 101           H        ILE 101 104.496   0.210   3.526
    2    HA   ILE 101           HA       ILE 101 106.930   1.325   4.692
    3    HB   ILE 101           HB       ILE 101 107.806   1.923   2.655
    4   HD11  ILE 101          HD11      ILE 101 107.746   2.728   0.404
    5   HD12  ILE 101          HD12      ILE 101 107.054   1.196  -0.121
    6   HD13  ILE 101          HD13      ILE 101 106.259   2.704  -0.529

  No H/Q in entry =           6
  In of MODEL    6
    1    H    TYR 102           H        TYR 102 107.021   3.300   5.298
    2    HA   TYR 102           HA       TYR 102 104.542   4.905   5.182
    3    HB2  TYR 102           HB2      TYR 102 106.879   5.089   7.089
    4    HB3  TYR 102           HB3      TYR 102 105.366   5.930   7.247
    5    HD1  TYR 102           HD1      TYR 102 106.283   2.287   6.610
    6    HD2  TYR 102           HD2      TYR 102 104.119   5.079   9.045
    7    HE1  TYR 102           HE1      TYR 102 105.364   0.434   7.874
    8    HE2  TYR 102           HE2      TYR 102 103.200   3.196  10.352
    9    HH   TYR 102           HH       TYR 102 103.502  -0.078   9.329

  No H/Q in entry =           9
  In of MODEL    6
    1    H    VAL 103           H        VAL 103 104.812   6.099   3.400
    2    HA   VAL 103           HA       VAL 103 107.373   7.049   2.591
    3    HB   VAL 103           HB       VAL 103 104.767   7.609   1.282

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO 104           HA       PRO 104 106.857  11.085   4.562
    2    HB2  PRO 104           HB2      PRO 104 109.076  11.697   2.648
    3    HB3  PRO 104           HB3      PRO 104 108.984  12.018   4.394
    4    HG2  PRO 104           HG2      PRO 104 110.501  10.038   3.361
    5    HG3  PRO 104           HG3      PRO 104 109.750   9.916   4.948
    6    HD2  PRO 104           HD2      PRO 104 109.041   8.537   2.445
    7    HD3  PRO 104           HD3      PRO 104 108.706   8.071   4.127

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER 105           H        SER 105 105.736  12.870   3.829
    2    HA   SER 105           HA       SER 105 104.217  12.766   1.567
    3    HB2  SER 105           HB2      SER 105 103.714  15.096   1.917
    4    HB3  SER 105           HB3      SER 105 103.991  14.385   3.505
    5    HG   SER 105           HG       SER 105 105.206  16.442   2.484

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY 106           H        GLY 106 107.482  14.045   1.900
    2    HA2  GLY 106           HA2      GLY 106 109.013  14.751   0.332
    3    HA3  GLY 106           HA3      GLY 106 107.652  15.290  -0.643

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LEU 107           H        LEU 107 108.137  11.993   0.469
    2    HA   LEU 107           HA       LEU 107 109.047  11.139  -2.205
    3    HB2  LEU 107           HB2      LEU 107 108.912   9.614   0.409
    4    HB3  LEU 107           HB3      LEU 107 109.544   8.972  -1.083
    5    HG   LEU 107           HG       LEU 107 110.664  11.302   0.482
    6   HD11  LEU 107          HD11      LEU 107 111.139   9.037   1.390
    7   HD12  LEU 107          HD12      LEU 107 111.825   8.598  -0.170
    8   HD13  LEU 107          HD13      LEU 107 112.589   9.848   0.801
    9   HD21  LEU 107          HD21      LEU 107 111.232  10.282  -2.278
   10   HD22  LEU 107          HD22      LEU 107 111.170  11.945  -1.704
   11   HD23  LEU 107          HD23      LEU 107 112.561  10.934  -1.325

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ALA 108           H        ALA 108 106.132  11.622  -0.815
    2    HA   ALA 108           HA       ALA 108 104.921   9.179  -1.926
    3    HB1  ALA 108           HB1      ALA 108 103.642  11.219  -0.093
    4    HB2  ALA 108           HB2      ALA 108 103.024   9.640  -0.547
    5    HB3  ALA 108           HB3      ALA 108 104.430   9.770   0.475

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR 109           H        TYR 109 102.667  11.581  -1.434
    2    HA   TYR 109           HA       TYR 109 102.452  12.046  -4.290
    3    HB2  TYR 109           HB2      TYR 109 100.551  12.344  -1.977
    4    HB3  TYR 109           HB3      TYR 109 100.184  13.013  -3.571
    5    HD1  TYR 109           HD1      TYR 109 100.416   9.967  -1.636
    6    HD2  TYR 109           HD2      TYR 109 100.278  11.546  -5.581
    7    HE1  TYR 109           HE1      TYR 109  99.982   7.735  -2.506
    8    HE2  TYR 109           HE2      TYR 109  99.917   9.308  -6.497
    9    HH   TYR 109           HH       TYR 109 100.085   6.464  -4.386

  No H/Q in entry =           9
  In of MODEL    6
    1    H    GLY 110           H        GLY 110 104.165  13.474  -2.016
    2    HA2  GLY 110           HA2      GLY 110 103.932  16.096  -3.349
    3    HA3  GLY 110           HA3      GLY 110 105.377  15.456  -2.603

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO 111           HA       PRO 111 104.452  17.645   1.103
    2    HB2  PRO 111           HB2      PRO 111 105.545  20.066   0.649
    3    HB3  PRO 111           HB3      PRO 111 106.544  18.609   0.773
    4    HG2  PRO 111           HG2      PRO 111 105.578  20.003  -1.688
    5    HG3  PRO 111           HG3      PRO 111 107.203  19.405  -1.309
    6    HD2  PRO 111           HD2      PRO 111 105.464  17.998  -2.851
    7    HD3  PRO 111           HD3      PRO 111 106.638  17.199  -1.795

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ARG 112           H        ARG 112 103.136  18.470  -1.856
    2    HA   ARG 112           HA       ARG 112 101.297  20.518  -0.768
    3    HB2  ARG 112           HB2      ARG 112 102.741  20.966  -2.827
    4    HB3  ARG 112           HB3      ARG 112 101.745  19.783  -3.669
    5    HG2  ARG 112           HG2      ARG 112  99.727  21.097  -3.164
    6    HG3  ARG 112           HG3      ARG 112 100.697  22.276  -2.281
    7    HD2  ARG 112           HD2      ARG 112 102.034  22.553  -4.460
    8    HD3  ARG 112           HD3      ARG 112 100.736  21.656  -5.236
    9    HE   ARG 112           HE       ARG 112  99.299  23.488  -4.927
   10   HH11  ARG 112          HH11      ARG 112 102.331  23.900  -3.312
   11   HH12  ARG 112          HH12      ARG 112 102.112  25.595  -3.031
   12   HH21  ARG 112          HH21      ARG 112  99.010  25.718  -4.579
   13   HH22  ARG 112          HH22      ARG 112 100.232  26.624  -3.752

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER 113           H        SER 113  99.028  20.349  -1.536
    2    HA   SER 113           HA       SER 113  98.011  17.722  -1.104
    3    HB2  SER 113           HB2      SER 113  96.400  19.986  -2.251
    4    HB3  SER 113           HB3      SER 113  95.904  18.712  -1.140
    5    HG   SER 113           HG       SER 113  97.915  20.566  -0.462

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL 114           H        VAL 114  98.874  16.413  -2.803
    2    HA   VAL 114           HA       VAL 114  98.015  17.107  -5.556
    3    HB   VAL 114           HB       VAL 114  99.955  14.929  -4.798

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLY 115           H        GLY 115  95.803  16.364  -4.466
    2    HA2  GLY 115           HA2      GLY 115  95.440  13.502  -4.291
    3    HA3  GLY 115           HA3      GLY 115  94.858  14.177  -5.803

  No H/Q in entry =           3
  In of MODEL    6
    1    H    GLY 116           H        GLY 116  93.033  12.950  -4.431
    2    HA2  GLY 116           HA2      GLY 116  90.932  13.122  -3.513
    3    HA3  GLY 116           HA3      GLY 116  90.995  14.806  -3.981

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO 117           HA       PRO 117  90.719  14.678   0.657
    2    HB2  PRO 117           HB2      PRO 117  91.462  12.480   2.059
    3    HB3  PRO 117           HB3      PRO 117  89.885  12.619   1.272
    4    HG2  PRO 117           HG2      PRO 117  92.372  11.350   0.224
    5    HG3  PRO 117           HG3      PRO 117  90.741  10.671   0.311
    6    HD2  PRO 117           HD2      PRO 117  91.611  11.674  -1.965
    7    HD3  PRO 117           HD3      PRO 117  89.959  12.047  -1.421

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ILE 118           H        ILE 118  93.574  13.505  -0.811
    2    HA   ILE 118           HA       ILE 118  95.371  13.894   1.349
    3    HB   ILE 118           HB       ILE 118  95.995  14.166  -1.602
    4   HD11  ILE 118          HD11      ILE 118  94.347  12.717  -2.214
    5   HD12  ILE 118          HD12      ILE 118  95.418  11.447  -2.780
    6   HD13  ILE 118          HD13      ILE 118  94.188  11.095  -1.581

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY 119           H        GLY 119  95.537  15.769   2.317
    2    HA2  GLY 119           HA2      GLY 119  95.290  18.018   2.692
    3    HA3  GLY 119           HA3      GLY 119  95.063  18.297   0.979

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO 120           HA       PRO 120  99.165  19.910   0.892
    2    HB2  PRO 120           HB2      PRO 120  99.430  21.726   2.956
    3    HB3  PRO 120           HB3      PRO 120  98.591  22.073   1.442
    4    HG2  PRO 120           HG2      PRO 120  97.448  21.224   4.063
    5    HG3  PRO 120           HG3      PRO 120  96.874  22.455   2.950
    6    HD2  PRO 120           HD2      PRO 120  95.723  20.050   3.085
    7    HD3  PRO 120           HD3      PRO 120  95.910  20.872   1.528

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ASN 121           H        ASN 121 101.236  19.386   1.540
    2    HA   ASN 121           HA       ASN 121 102.852  18.181   2.627
    3    HB2  ASN 121           HB2      ASN 121 102.593  20.321   3.984
    4    HB3  ASN 121           HB3      ASN 121 101.699  19.347   5.142
    5   HD21  ASN 121          HD21      ASN 121 104.825  20.312   4.257
    6   HD22  ASN 121          HD22      ASN 121 105.668  19.176   5.180

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLU 122           H        GLU 122 100.847  16.452   2.069
    2    HA   GLU 122           HA       GLU 122 100.211  14.980   4.529
    3    HB2  GLU 122           HB2      GLU 122  99.328  14.776   1.678
    4    HB3  GLU 122           HB3      GLU 122  99.044  13.452   2.806
    5    HG2  GLU 122           HG2      GLU 122  98.148  16.293   3.289
    6    HG3  GLU 122           HG3      GLU 122  97.137  15.022   2.614

  No H/Q in entry =           6
  In of MODEL    6
    1    H    THR 123           H        THR 123 101.199  13.299   5.222
    2    HA   THR 123           HA       THR 123 103.229  11.947   3.553
    3    HB   THR 123           HB       THR 123 102.637  11.895   6.519
    4    HG1  THR 123           HG1      THR 123 103.935  13.548   6.198
    5   HG21  THR 123          HG21      THR 123 103.266   9.628   5.610
    6   HG22  THR 123          HG22      THR 123 104.748  10.337   5.021
    7   HG23  THR 123          HG23      THR 123 104.428  10.277   6.752

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU 124           H        LEU 124 102.695  10.015   2.678
    2    HA   LEU 124           HA       LEU 124 100.189   8.710   3.603
    3    HB2  LEU 124           HB2      LEU 124 101.434   8.707   0.848
    4    HB3  LEU 124           HB3      LEU 124 100.015   7.790   1.303
    5    HG   LEU 124           HG       LEU 124  99.098   9.682   0.257
    6   HD11  LEU 124          HD11      LEU 124  98.213   9.372   2.603
    7   HD12  LEU 124          HD12      LEU 124  99.239  10.733   3.040
    8   HD13  LEU 124          HD13      LEU 124  97.966  10.956   1.868
    9   HD21  LEU 124          HD21      LEU 124 101.300  10.902   0.135
   10   HD22  LEU 124          HD22      LEU 124  99.892  11.918   0.402
   11   HD23  LEU 124          HD23      LEU 124 100.947  11.513   1.735

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE 125           H        ILE 125 100.130   6.574   3.912
    2    HA   ILE 125           HA       ILE 125 102.680   5.069   3.781
    3    HB   ILE 125           HB       ILE 125 102.234   5.256   6.102
    4   HD11  ILE 125          HD11      ILE 125 101.799   3.742   7.803
    5   HD12  ILE 125          HD12      ILE 125 100.963   2.224   7.537
    6   HD13  ILE 125          HD13      ILE 125 102.697   2.334   7.280

  No H/Q in entry =           6
  In of MODEL    6
    1    H    PHE 126           H        PHE 126 102.548   2.940   3.100
    2    HA   PHE 126           HA       PHE 126  99.917   1.974   2.291
    3    HB2  PHE 126           HB2      PHE 126 102.198   1.579   0.396
    4    HB3  PHE 126           HB3      PHE 126 100.459   1.505   0.099
    5    HD1  PHE 126           HD1      PHE 126  99.401   3.345  -0.880
    6    HD2  PHE 126           HD2      PHE 126 103.104   3.890   1.214
    7    HE1  PHE 126           HE1      PHE 126  99.454   5.723  -1.580
    8    HE2  PHE 126           HE2      PHE 126 103.145   6.258   0.515
    9    HZ   PHE 126           HZ       PHE 126 101.339   7.176  -0.869

  No H/Q in entry =           9
  In of MODEL    6
    1    H    LYS 127           H        LYS 127  99.692  -0.226   2.135
    2    HA   LYS 127           HA       LYS 127 101.755  -1.787   3.492
    3    HB2  LYS 127           HB2      LYS 127  99.201  -3.139   2.931
    4    HB3  LYS 127           HB3      LYS 127 100.049  -2.972   4.448
    5    HG2  LYS 127           HG2      LYS 127  98.335  -0.826   3.205
    6    HG3  LYS 127           HG3      LYS 127  97.810  -1.924   4.473
    7    HD2  LYS 127           HD2      LYS 127  99.579  -1.073   5.972
    8    HD3  LYS 127           HD3      LYS 127 100.104   0.050   4.732
    9    HE2  LYS 127           HE2      LYS 127  97.890   1.133   4.760
   10    HE3  LYS 127           HE3      LYS 127  97.353  -0.005   5.996
   11    HZ1  LYS 127           HZ1      LYS 127  99.657   0.959   7.018
   12    HZ2  LYS 127           HZ2      LYS 127  99.014   2.327   6.247
   13    HZ3  LYS 127           HZ3      LYS 127  98.102   1.510   7.425

  No H/Q in entry =          13
  In of MODEL    6
    1    H    ILE 128           H        ILE 128 102.997  -3.053   2.222
    2    HA   ILE 128           HA       ILE 128 101.911  -3.605  -0.492
    3    HB   ILE 128           HB       ILE 128 104.847  -3.314   0.088
    4   HD11  ILE 128          HD11      ILE 128 104.907  -0.779  -1.780
    5   HD12  ILE 128          HD12      ILE 128 104.620   0.455  -0.567
    6   HD13  ILE 128          HD13      ILE 128 105.799  -0.805  -0.258

  No H/Q in entry =           6
  In of MODEL    6
    1    H    HIS 129           H        HIS 129 101.730  -5.542  -1.103
    2    HA   HIS 129           HA       HIS 129 103.248  -7.720   0.201
    3    HB2  HIS 129           HB2      HIS 129 100.893  -7.916   0.762
    4    HB3  HIS 129           HB3      HIS 129 100.447  -7.706  -0.930
    5    HD2  HIS 129           HD2      HIS 129 103.359 -10.205   0.143
    6    HE1  HIS 129           HE1      HIS 129 100.184 -12.371  -1.627
    7    HE2  HIS 129           HE2      HIS 129 102.563 -12.527  -0.781

  No H/Q in entry =           7
  In of MODEL    6
    1    H    LEU 130           H        LEU 130 104.653  -8.724  -1.197
    2    HA   LEU 130           HA       LEU 130 104.326  -8.115  -4.041
    3    HB2  LEU 130           HB2      LEU 130 106.558  -8.109  -2.408
    4    HB3  LEU 130           HB3      LEU 130 106.714  -9.601  -3.289
    5    HG   LEU 130           HG       LEU 130 106.259  -6.925  -4.557
    6   HD11  LEU 130          HD11      LEU 130 108.735  -8.612  -4.296
    7   HD12  LEU 130          HD12      LEU 130 108.605  -7.291  -5.439
    8   HD13  LEU 130          HD13      LEU 130 108.503  -6.972  -3.707
    9   HD21  LEU 130          HD21      LEU 130 105.315  -8.798  -5.888
   10   HD22  LEU 130          HD22      LEU 130 106.706  -8.104  -6.661
   11   HD23  LEU 130          HD23      LEU 130 106.880  -9.610  -5.800

  No H/Q in entry =          11
  In of MODEL    6
    1    H    ILE 131           H        ILE 131 103.148  -9.432  -5.197
    2    HA   ILE 131           HA       ILE 131 103.101 -12.292  -4.580
    3    HB   ILE 131           HB       ILE 131 101.431 -10.560  -6.417
    4   HD11  ILE 131          HD11      ILE 131 100.351  -9.122  -4.932
    5   HD12  ILE 131          HD12      ILE 131  99.920  -9.605  -3.297
    6   HD13  ILE 131          HD13      ILE 131 101.602  -9.404  -3.727

  No H/Q in entry =           6
  In of MODEL    6
    1    H    SER 132           H        SER 132 103.801 -10.187  -7.427
    2    HA   SER 132           HA       SER 132 105.609 -12.300  -8.402
    3    HB2  SER 132           HB2      SER 132 104.503 -12.758 -10.371
    4    HB3  SER 132           HB3      SER 132 103.108 -12.343  -9.383
    5    HG   SER 132           HG       SER 132 104.384 -10.898 -11.397

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL 133           H        VAL 133 107.097 -11.552 -10.058
    2    HA   VAL 133           HA       VAL 133 107.342  -8.604 -10.238
    3    HB   VAL 133           HB       VAL 133 109.601 -10.555  -9.682

  No H/Q in entry =           3
  In of MODEL    6
    1    H    LYS 134           H        LYS 134 108.029  -7.806 -12.149
    2    HA   LYS 134           HA       LYS 134 108.375  -9.624 -14.419
    3    HB2  LYS 134           HB2      LYS 134 106.739  -7.564 -14.247
    4    HB3  LYS 134           HB3      LYS 134 108.217  -6.671 -14.559
    5    HG2  LYS 134           HG2      LYS 134 106.910  -7.089 -16.616
    6    HG3  LYS 134           HG3      LYS 134 108.516  -7.773 -16.710
    7    HD2  LYS 134           HD2      LYS 134 106.591  -9.726 -15.632
    8    HD3  LYS 134           HD3      LYS 134 106.084  -9.115 -17.199
    9    HE2  LYS 134           HE2      LYS 134 108.329  -9.633 -18.121
   10    HE3  LYS 134           HE3      LYS 134 108.783 -10.340 -16.572
   11    HZ1  LYS 134           HZ1      LYS 134 106.392 -11.230 -18.070
   12    HZ2  LYS 134           HZ2      LYS 134 107.926 -11.912 -18.332
   13    HZ3  LYS 134           HZ3      LYS 134 107.198 -12.028 -16.804

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LYS 135           H        LYS 135 109.679  -7.387 -15.846
    2    HA   LYS 135           HA       LYS 135 112.086  -6.619 -14.703
    3    HB2  LYS 135           HB2      LYS 135 112.115  -9.318 -15.463
    4    HB3  LYS 135           HB3      LYS 135 113.002  -8.496 -16.732
    5    HG2  LYS 135           HG2      LYS 135 113.571  -8.015 -13.806
    6    HG3  LYS 135           HG3      LYS 135 114.338  -9.304 -14.726
    7    HD2  LYS 135           HD2      LYS 135 114.383  -6.505 -15.796
    8    HD3  LYS 135           HD3      LYS 135 115.509  -6.941 -14.524
    9    HE2  LYS 135           HE2      LYS 135 115.363  -8.854 -16.775
   10    HE3  LYS 135           HE3      LYS 135 116.011  -7.274 -17.184
   11    HZ1  LYS 135           HZ1      LYS 135 117.101  -8.047 -14.734
   12    HZ2  LYS 135           HZ2      LYS 135 117.286  -9.347 -15.812
   13    HZ3  LYS 135           HZ3      LYS 135 117.895  -7.813 -16.213

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER 136           H        SER 136 113.151  -5.196 -15.890
    2    HA   SER 136           HA       SER 136 111.804  -3.752 -17.830
    3    HB2  SER 136           HB2      SER 136 113.574  -2.662 -16.730
    4    HB3  SER 136           HB3      SER 136 114.723  -3.935 -17.124
    5    HG   SER 136           HG       SER 136 115.014  -2.155 -18.491

  No H/Q in entry =           5
  In of MODEL    6
    1    H    SER 137           H        SER 137 114.168  -6.357 -18.283
    2    HA   SER 137           HA       SER 137 114.538  -6.137 -21.052
    3    HB2  SER 137           HB2      SER 137 115.798  -7.637 -19.470
    4    HB3  SER 137           HB3      SER 137 114.411  -8.719 -19.486
    5    HG   SER 137           HG       SER 137 115.175  -7.966 -21.987

  No H/Q in entry =           5
  In of MODEL    7
    1    H1   PHE   1           H1       PHE   1  95.709  29.092   5.191
    2    H2   PHE   1           H2       PHE   1  94.905  30.054   4.044
    3    H3   PHE   1           H3       PHE   1  94.014  29.050   5.081
    4    HA   PHE   1           HA       PHE   1  94.025  27.558   3.448
    5    HB2  PHE   1           HB2      PHE   1  96.429  29.002   2.289
    6    HB3  PHE   1           HB3      PHE   1  95.438  27.798   1.465
    7    HD1  PHE   1           HD1      PHE   1  95.669  31.266   2.598
    8    HD2  PHE   1           HD2      PHE   1  93.103  28.322   0.813
    9    HE1  PHE   1           HE1      PHE   1  94.132  33.061   1.849
   10    HE2  PHE   1           HE2      PHE   1  91.562  30.117   0.066
   11    HZ   PHE   1           HZ       PHE   1  92.079  32.487   0.582

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ASN   2           H        ASN   2  97.414  28.436   4.130
    2    HA   ASN   2           HA       ASN   2  98.391  25.766   4.090
    3    HB2  ASN   2           HB2      ASN   2  99.491  28.367   5.150
    4    HB3  ASN   2           HB3      ASN   2 100.366  26.849   5.335
    5   HD21  ASN   2          HD21      ASN   2 100.478  25.556   3.097
    6   HD22  ASN   2          HD22      ASN   2 100.876  26.507   1.749

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS   3           H        LYS   3  96.676  27.590   6.434
    2    HA   LYS   3           HA       LYS   3  97.572  26.727   8.869
    3    HB2  LYS   3           HB2      LYS   3  95.194  26.804   9.635
    4    HB3  LYS   3           HB3      LYS   3  95.698  28.231   8.735
    5    HG2  LYS   3           HG2      LYS   3  94.157  27.867   7.086
    6    HG3  LYS   3           HG3      LYS   3  94.593  26.176   6.938
    7    HD2  LYS   3           HD2      LYS   3  93.230  25.741   9.032
    8    HD3  LYS   3           HD3      LYS   3  92.650  27.404   8.905
    9    HE2  LYS   3           HE2      LYS   3  91.988  26.808   6.500
   10    HE3  LYS   3           HE3      LYS   3  92.267  25.130   6.971
   11    HZ1  LYS   3           HZ1      LYS   3  90.439  26.980   8.399
   12    HZ2  LYS   3           HZ2      LYS   3  89.937  25.850   7.238
   13    HZ3  LYS   3           HZ3      LYS   3  90.642  25.318   8.688

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LYS   4           H        LYS   4  95.702  24.864   6.515
    2    HA   LYS   4           HA       LYS   4  95.343  22.596   8.228
    3    HB2  LYS   4           HB2      LYS   4  94.055  23.364   6.054
    4    HB3  LYS   4           HB3      LYS   4  95.256  22.368   5.239
    5    HG2  LYS   4           HG2      LYS   4  93.468  21.435   7.505
    6    HG3  LYS   4           HG3      LYS   4  93.178  21.123   5.798
    7    HD2  LYS   4           HD2      LYS   4  95.575  20.096   5.816
    8    HD3  LYS   4           HD3      LYS   4  95.373  20.068   7.561
    9    HE2  LYS   4           HE2      LYS   4  93.156  18.894   5.925
   10    HE3  LYS   4           HE3      LYS   4  94.652  17.979   6.074
   11    HZ1  LYS   4           HZ1      LYS   4  93.972  19.019   8.587
   12    HZ2  LYS   4           HZ2      LYS   4  92.612  18.232   7.949
   13    HZ3  LYS   4           HZ3      LYS   4  94.083  17.394   8.107

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ALA   5           H        ALA   5  97.621  23.568   5.749
    2    HA   ALA   5           HA       ALA   5  99.059  21.260   5.296
    3    HB1  ALA   5           HB1      ALA   5 100.787  22.661   4.499
    4    HB2  ALA   5           HB2      ALA   5 100.363  23.947   5.618
    5    HB3  ALA   5           HB3      ALA   5  99.315  23.604   4.249

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP   6           H        ASP   6  99.135  23.444   7.983
    2    HA   ASP   6           HA       ASP   6 101.490  22.505   9.223
    3    HB2  ASP   6           HB2      ASP   6  99.065  23.916  10.246
    4    HB3  ASP   6           HB3      ASP   6 100.454  23.545  11.257

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU   7           H        GLU   7  98.065  21.545   9.514
    2    HA   GLU   7           HA       GLU   7  98.405  19.823  11.727
    3    HB2  GLU   7           HB2      GLU   7  96.394  19.430   9.563
    4    HB3  GLU   7           HB3      GLU   7  96.246  19.014  11.264
    5    HG2  GLU   7           HG2      GLU   7  96.402  21.441  11.807
    6    HG3  GLU   7           HG3      GLU   7  96.370  21.780  10.084

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASN   8           H        ASN   8  98.261  19.172   8.293
    2    HA   ASN   8           HA       ASN   8  98.705  16.388   8.406
    3    HB2  ASN   8           HB2      ASN   8  99.610  18.292   6.261
    4    HB3  ASN   8           HB3      ASN   8  99.212  16.585   6.060
    5   HD21  ASN   8          HD21      ASN   8  97.868  18.457   4.527
    6   HD22  ASN   8          HD22      ASN   8  96.253  18.553   5.028

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS   9           H        LYS   9 100.715  19.182   8.380
    2    HA   LYS   9           HA       LYS   9 103.246  17.939   8.061
    3    HB2  LYS   9           HB2      LYS   9 103.280  20.210   7.607
    4    HB3  LYS   9           HB3      LYS   9 102.178  20.564   8.900
    5    HG2  LYS   9           HG2      LYS   9 103.919  20.354  10.550
    6    HG3  LYS   9           HG3      LYS   9 105.049  19.801   9.318
    7    HD2  LYS   9           HD2      LYS   9 104.798  21.998   8.167
    8    HD3  LYS   9           HD3      LYS   9 103.746  22.524   9.471
    9    HE2  LYS   9           HE2      LYS   9 105.548  22.178  11.103
   10    HE3  LYS   9           HE3      LYS   9 106.623  21.648   9.809
   11    HZ1  LYS   9           HZ1      LYS   9 105.311  24.208   9.408
   12    HZ2  LYS   9           HZ2      LYS   9 106.470  24.160  10.648
   13    HZ3  LYS   9           HZ3      LYS   9 106.908  23.738   9.065

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  10           H        VAL  10 101.565  19.113  11.019
    2    HA   VAL  10           HA       VAL  10 103.611  18.185  12.757
    3    HB   VAL  10           HB       VAL  10 100.747  18.938  13.285

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  11           H        LYS  11 100.448  16.802  11.899
    2    HA   LYS  11           HA       LYS  11 100.739  14.511  13.513
    3    HB2  LYS  11           HB2      LYS  11  99.103  15.099  11.085
    4    HB3  LYS  11           HB3      LYS  11  99.106  13.516  11.821
    5    HG2  LYS  11           HG2      LYS  11  97.270  14.560  12.839
    6    HG3  LYS  11           HG3      LYS  11  98.544  14.750  14.036
    7    HD2  LYS  11           HD2      LYS  11  99.001  17.027  12.971
    8    HD3  LYS  11           HD3      LYS  11  97.484  16.814  12.099
    9    HE2  LYS  11           HE2      LYS  11  97.951  17.163  15.044
   10    HE3  LYS  11           HE3      LYS  11  96.776  17.965  14.007
   11    HZ1  LYS  11           HZ1      LYS  11  96.606  15.056  14.400
   12    HZ2  LYS  11           HZ2      LYS  11  96.025  16.091  15.615
   13    HZ3  LYS  11           HZ3      LYS  11  95.370  16.169  14.051

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLY  12           H        GLY  12 101.649  15.373  10.268
    2    HA2  GLY  12           HA2      GLY  12 102.970  14.308   8.697
    3    HA3  GLY  12           HA3      GLY  12 102.639  12.801   9.522

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  13           H        GLU  13 104.217  15.730  10.812
    2    HA   GLU  13           HA       GLU  13 106.866  14.727  10.641
    3    HB2  GLU  13           HB2      GLU  13 105.564  16.844  12.353
    4    HB3  GLU  13           HB3      GLU  13 107.240  16.378  12.628
    5    HG2  GLU  13           HG2      GLU  13 107.820  16.945  10.347
    6    HG3  GLU  13           HG3      GLU  13 106.142  17.310   9.973

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  14           H        ALA  14 104.276  14.321  12.904
    2    HA   ALA  14           HA       ALA  14 105.843  13.055  14.923
    3    HB1  ALA  14           HB1      ALA  14 103.765  14.316  15.416
    4    HB2  ALA  14           HB2      ALA  14 102.849  13.088  14.544
    5    HB3  ALA  14           HB3      ALA  14 103.713  12.661  16.020

  No H/Q in entry =           5
  In of MODEL    7
    1    H    PHE  15           H        PHE  15 103.837  12.159  12.245
    2    HA   PHE  15           HA       PHE  15 103.487   9.419  12.727
    3    HB2  PHE  15           HB2      PHE  15 102.308  10.893  11.082
    4    HB3  PHE  15           HB3      PHE  15 103.757  10.866  10.095
    5    HD1  PHE  15           HD1      PHE  15 104.263   9.027   8.722
    6    HD2  PHE  15           HD2      PHE  15 101.056   8.798  11.553
    7    HE1  PHE  15           HE1      PHE  15 103.406   6.995   7.595
    8    HE2  PHE  15           HE2      PHE  15 100.221   6.739  10.456
    9    HZ   PHE  15           HZ       PHE  15 101.397   5.853   8.468

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LEU  16           H        LEU  16 105.933  11.114  10.763
    2    HA   LEU  16           HA       LEU  16 107.373   8.691  10.198
    3    HB2  LEU  16           HB2      LEU  16 108.164  11.600   9.969
    4    HB3  LEU  16           HB3      LEU  16 109.233  10.281   9.532
    5    HG   LEU  16           HG       LEU  16 107.118   9.510   8.078
    6   HD11  LEU  16          HD11      LEU  16 106.691  12.464   8.539
    7   HD12  LEU  16          HD12      LEU  16 106.217  11.719   7.014
    8   HD13  LEU  16          HD13      LEU  16 105.505  11.159   8.531
    9   HD21  LEU  16          HD21      LEU  16 109.224  11.564   7.438
   10   HD22  LEU  16          HD22      LEU  16 109.201   9.843   7.080
   11   HD23  LEU  16          HD23      LEU  16 108.132  10.932   6.210

  No H/Q in entry =          11
  In of MODEL    7
    1    H    THR  17           H        THR  17 107.650  11.277  12.545
    2    HA   THR  17           HA       THR  17 110.114  10.484  13.645
    3    HB   THR  17           HB       THR  17 107.824  11.869  15.040
    4    HG1  THR  17           HG1      THR  17 110.168  12.936  13.868
    5   HG21  THR  17          HG21      THR  17 110.732  11.498  15.703
    6   HG22  THR  17          HG22      THR  17 109.704  12.714  16.465
    7   HG23  THR  17          HG23      THR  17 109.335  11.004  16.662

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  18           H        GLU  18 106.793   9.602  14.386
    2    HA   GLU  18           HA       GLU  18 107.510   7.878  16.521
    3    HB2  GLU  18           HB2      GLU  18 105.344   9.047  16.437
    4    HB3  GLU  18           HB3      GLU  18 104.910   8.072  15.041
    5    HG2  GLU  18           HG2      GLU  18 105.081   6.029  16.349
    6    HG3  GLU  18           HG3      GLU  18 105.658   6.940  17.744

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASN  19           H        ASN  19 106.491   7.390  13.151
    2    HA   ASN  19           HA       ASN  19 106.334   4.599  13.239
    3    HB2  ASN  19           HB2      ASN  19 105.471   5.955  11.386
    4    HB3  ASN  19           HB3      ASN  19 107.122   6.298  10.887
    5   HD21  ASN  19          HD21      ASN  19 107.594   5.021   9.133
    6   HD22  ASN  19          HD22      ASN  19 107.171   3.389   8.969

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  20           H        LYS  20 109.137   6.596  12.377
    2    HA   LYS  20           HA       LYS  20 110.801   4.460  11.623
    3    HB2  LYS  20           HB2      LYS  20 112.693   5.934  12.145
    4    HB3  LYS  20           HB3      LYS  20 111.454   6.800  11.242
    5    HG2  LYS  20           HG2      LYS  20 110.538   7.509  13.546
    6    HG3  LYS  20           HG3      LYS  20 112.066   6.925  14.199
    7    HD2  LYS  20           HD2      LYS  20 111.841   9.006  12.004
    8    HD3  LYS  20           HD3      LYS  20 112.093   9.376  13.712
    9    HE2  LYS  20           HE2      LYS  20 114.136   7.853  13.602
   10    HE3  LYS  20           HE3      LYS  20 113.938   7.899  11.856
   11    HZ1  LYS  20           HZ1      LYS  20 114.140  10.335  13.521
   12    HZ2  LYS  20           HZ2      LYS  20 115.479   9.599  12.777
   13    HZ3  LYS  20           HZ3      LYS  20 114.218  10.228  11.830

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ASN  21           H        ASN  21 109.863   5.716  14.722
    2    HA   ASN  21           HA       ASN  21 111.766   4.169  16.239
    3    HB2  ASN  21           HB2      ASN  21 109.490   5.999  16.891
    4    HB3  ASN  21           HB3      ASN  21 110.189   4.991  18.153
    5   HD21  ASN  21          HD21      ASN  21 110.588   7.936  16.415
    6   HD22  ASN  21          HD22      ASN  21 112.154   8.302  16.957

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  22           H        LYS  22 108.455   3.773  15.177
    2    HA   LYS  22           HA       LYS  22 107.654   1.860  16.975
    3    HB2  LYS  22           HB2      LYS  22 106.898   2.409  14.154
    4    HB3  LYS  22           HB3      LYS  22 106.155   1.078  15.020
    5    HG2  LYS  22           HG2      LYS  22 105.787   3.021  16.872
    6    HG3  LYS  22           HG3      LYS  22 105.863   4.031  15.442
    7    HD2  LYS  22           HD2      LYS  22 104.022   1.640  15.679
    8    HD3  LYS  22           HD3      LYS  22 103.541   3.289  16.074
    9    HE2  LYS  22           HE2      LYS  22 103.945   4.030  13.827
   10    HE3  LYS  22           HE3      LYS  22 104.717   2.503  13.408
   11    HZ1  LYS  22           HZ1      LYS  22 101.875   2.816  14.202
   12    HZ2  LYS  22           HZ2      LYS  22 102.428   2.628  12.608
   13    HZ3  LYS  22           HZ3      LYS  22 102.627   1.371  13.735

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  23           HA       PRO  23 110.283  -1.682  16.178
    2    HB2  PRO  23           HB2      PRO  23 107.854  -3.338  16.701
    3    HB3  PRO  23           HB3      PRO  23 109.464  -3.436  17.435
    4    HG2  PRO  23           HG2      PRO  23 107.386  -2.385  18.747
    5    HG3  PRO  23           HG3      PRO  23 109.034  -1.754  18.931
    6    HD2  PRO  23           HD2      PRO  23 106.721  -0.561  17.459
    7    HD3  PRO  23           HD3      PRO  23 108.076   0.228  18.299

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  24           H        GLY  24 110.717  -3.158  14.580
    2    HA2  GLY  24           HA2      GLY  24 108.751  -3.982  12.643
    3    HA3  GLY  24           HA3      GLY  24 110.447  -4.439  12.667

  No H/Q in entry =           3
  In of MODEL    7
    1    H    VAL  25           H        VAL  25 109.724  -1.084  12.910
    2    HA   VAL  25           HA       VAL  25 109.835  -0.617  10.036
    3    HB   VAL  25           HB       VAL  25 109.828   1.362  12.323

  No H/Q in entry =           3
  In of MODEL    7
    1    H    VAL  26           H        VAL  26 111.535   0.102   8.919
    2    HA   VAL  26           HA       VAL  26 114.067   0.734  10.355
    3    HB   VAL  26           HB       VAL  26 113.667  -0.769   7.760

  No H/Q in entry =           3
  In of MODEL    7
    1    H    VAL  27           H        VAL  27 114.691   2.796  10.003
    2    HA   VAL  27           HA       VAL  27 113.428   4.257   7.807
    3    HB   VAL  27           HB       VAL  27 113.157   5.263  10.006

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  28           H        LEU  28 114.413   5.483   6.349
    2    HA   LEU  28           HA       LEU  28 117.265   4.832   5.926
    3    HB2  LEU  28           HB2      LEU  28 115.124   5.535   3.915
    4    HB3  LEU  28           HB3      LEU  28 116.786   5.190   3.518
    5    HG   LEU  28           HG       LEU  28 114.915   3.239   4.866
    6   HD11  LEU  28          HD11      LEU  28 114.408   3.891   2.459
    7   HD12  LEU  28          HD12      LEU  28 115.974   3.223   2.033
    8   HD13  LEU  28          HD13      LEU  28 114.728   2.183   2.713
    9   HD21  LEU  28          HD21      LEU  28 117.785   3.113   3.902
   10   HD22  LEU  28          HD22      LEU  28 117.144   2.648   5.477
   11   HD23  LEU  28          HD23      LEU  28 116.803   1.663   4.063

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   PRO  29           HA       PRO  29 118.418   9.055   5.965
    2    HB2  PRO  29           HB2      PRO  29 119.644   8.836   3.269
    3    HB3  PRO  29           HB3      PRO  29 120.397   9.307   4.802
    4    HG2  PRO  29           HG2      PRO  29 120.877   6.936   3.752
    5    HG3  PRO  29           HG3      PRO  29 120.633   7.102   5.504
    6    HD2  PRO  29           HD2      PRO  29 118.702   6.180   3.410
    7    HD3  PRO  29           HD3      PRO  29 119.042   5.463   4.996

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  30           H        SER  30 116.901   7.883   3.047
    2    HA   SER  30           HA       SER  30 116.211  10.393   1.920
    3    HB2  SER  30           HB2      SER  30 114.698   7.806   1.541
    4    HB3  SER  30           HB3      SER  30 114.854   9.150   0.408
    5    HG   SER  30           HG       SER  30 116.271   7.146   0.220

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  31           H        GLY  31 115.098   8.651   4.585
    2    HA2  GLY  31           HA2      GLY  31 112.839  10.492   4.951
    3    HA3  GLY  31           HA3      GLY  31 113.593   9.511   6.203

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU  32           H        LEU  32 113.325   7.625   3.507
    2    HA   LEU  32           HA       LEU  32 110.560   6.884   3.775
    3    HB2  LEU  32           HB2      LEU  32 111.756   6.753   1.594
    4    HB3  LEU  32           HB3      LEU  32 112.806   5.526   2.253
    5    HG   LEU  32           HG       LEU  32 110.821   4.790   0.761
    6   HD11  LEU  32          HD11      LEU  32 112.210   3.288   2.191
    7   HD12  LEU  32          HD12      LEU  32 110.972   3.414   3.422
    8   HD13  LEU  32          HD13      LEU  32 110.585   2.720   1.862
    9   HD21  LEU  32          HD21      LEU  32 109.181   6.203   1.984
   10   HD22  LEU  32          HD22      LEU  32 108.676   4.534   1.787
   11   HD23  LEU  32          HD23      LEU  32 109.270   5.090   3.337

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLN  33           H        GLN  33 109.762   5.246   4.987
    2    HA   GLN  33           HA       GLN  33 111.664   3.535   6.474
    3    HB2  GLN  33           HB2      GLN  33 109.029   4.715   7.354
    4    HB3  GLN  33           HB3      GLN  33 109.965   3.566   8.279
    5    HG2  GLN  33           HG2      GLN  33 110.948   5.408   9.198
    6    HG3  GLN  33           HG3      GLN  33 111.833   5.467   7.704
    7   HE21  GLN  33          HE21      GLN  33 111.419   7.802   9.133
    8   HE22  GLN  33          HE22      GLN  33 110.395   8.783   8.211

  No H/Q in entry =           8
  In of MODEL    7
    1    H    TYR  34           H        TYR  34 111.250   1.382   6.578
    2    HA   TYR  34           HA       TYR  34 108.702   0.406   5.510
    3    HB2  TYR  34           HB2      TYR  34 109.789  -1.312   4.187
    4    HB3  TYR  34           HB3      TYR  34 110.279   0.280   3.634
    5    HD1  TYR  34           HD1      TYR  34 111.285  -2.570   5.761
    6    HD2  TYR  34           HD2      TYR  34 112.573   0.942   3.676
    7    HE1  TYR  34           HE1      TYR  34 113.648  -3.204   6.177
    8    HE2  TYR  34           HE2      TYR  34 114.936   0.312   4.088
    9    HH   TYR  34           HH       TYR  34 116.288  -1.027   5.368

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS  35           H        LYS  35 107.937  -1.414   6.290
    2    HA   LYS  35           HA       LYS  35 109.437  -2.706   8.460
    3    HB2  LYS  35           HB2      LYS  35 107.716  -1.200   9.335
    4    HB3  LYS  35           HB3      LYS  35 106.490  -2.043   8.422
    5    HG2  LYS  35           HG2      LYS  35 108.170  -3.773  10.088
    6    HG3  LYS  35           HG3      LYS  35 107.248  -2.617  11.019
    7    HD2  LYS  35           HD2      LYS  35 105.206  -3.387   9.772
    8    HD3  LYS  35           HD3      LYS  35 106.197  -4.673   9.075
    9    HE2  LYS  35           HE2      LYS  35 105.008  -5.453  11.089
   10    HE3  LYS  35           HE3      LYS  35 106.747  -5.465  11.332
   11    HZ1  LYS  35           HZ1      LYS  35 105.756  -2.940  12.023
   12    HZ2  LYS  35           HZ2      LYS  35 104.819  -4.111  12.820
   13    HZ3  LYS  35           HZ3      LYS  35 106.502  -4.090  13.027

  No H/Q in entry =          13
  In of MODEL    7
    1    H    VAL  36           H        VAL  36 109.455  -4.826   8.409
    2    HA   VAL  36           HA       VAL  36 108.169  -6.112   6.108
    3    HB   VAL  36           HB       VAL  36 110.488  -6.544   6.305

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ILE  37           H        ILE  37 106.149  -6.630   6.447
    2    HA   ILE  37           HA       ILE  37 105.087  -7.530   8.946
    3    HB   ILE  37           HB       ILE  37 103.861  -8.080   6.243
    4   HD11  ILE  37          HD11      ILE  37 104.111  -5.630   8.931
    5   HD12  ILE  37          HD12      ILE  37 104.051  -4.199   7.940
    6   HD13  ILE  37          HD13      ILE  37 102.569  -5.055   8.354

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASN  38           H        ASN  38 106.190  -9.026   5.985
    2    HA   ASN  38           HA       ASN  38 106.528 -11.597   7.353
    3    HB2  ASN  38           HB2      ASN  38 105.049 -11.194   4.764
    4    HB3  ASN  38           HB3      ASN  38 105.541 -12.748   5.377
    5   HD21  ASN  38          HD21      ASN  38 103.450  -9.949   6.146
    6   HD22  ASN  38          HD22      ASN  38 102.405 -10.818   7.163

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER  39           H        SER  39 108.481 -12.449   6.842
    2    HA   SER  39           HA       SER  39 110.100 -11.134   4.806
    3    HB2  SER  39           HB2      SER  39 111.929 -12.124   5.797
    4    HB3  SER  39           HB3      SER  39 110.844 -11.981   7.174
    5    HG   SER  39           HG       SER  39 110.123 -14.188   6.363

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  40           H        GLY  40 110.500 -11.928   2.823
    2    HA2  GLY  40           HA2      GLY  40 109.422 -13.319   1.090
    3    HA3  GLY  40           HA3      GLY  40 109.621 -14.677   2.185

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASN  41           H        ASN  41 111.954 -12.111   1.654
    2    HA   ASN  41           HA       ASN  41 114.077 -12.096   0.787
    3    HB2  ASN  41           HB2      ASN  41 114.045 -15.005   1.588
    4    HB3  ASN  41           HB3      ASN  41 115.462 -13.977   1.378
    5   HD21  ASN  41          HD21      ASN  41 113.124 -11.994   2.673
    6   HD22  ASN  41          HD22      ASN  41 113.497 -12.169   4.322

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  42           H        GLY  42 111.836 -12.762  -1.015
    2    HA2  GLY  42           HA2      GLY  42 111.416 -13.889  -3.031
    3    HA3  GLY  42           HA3      GLY  42 112.992 -14.654  -2.916

  No H/Q in entry =           3
  In of MODEL    7
    1    H    VAL  43           H        VAL  43 111.998 -13.584  -5.203
    2    HA   VAL  43           HA       VAL  43 114.086 -11.844  -6.018
    3    HB   VAL  43           HB       VAL  43 113.015 -11.883  -8.195

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  44           H        LYS  44 113.224  -9.940  -7.500
    2    HA   LYS  44           HA       LYS  44 111.054  -8.395  -6.811
    3    HB2  LYS  44           HB2      LYS  44 111.794  -6.748  -5.259
    4    HB3  LYS  44           HB3      LYS  44 112.148  -8.288  -4.542
    5    HG2  LYS  44           HG2      LYS  44 114.337  -7.014  -6.150
    6    HG3  LYS  44           HG3      LYS  44 113.945  -6.295  -4.602
    7    HD2  LYS  44           HD2      LYS  44 114.270  -9.273  -4.669
    8    HD3  LYS  44           HD3      LYS  44 115.729  -8.300  -4.821
    9    HE2  LYS  44           HE2      LYS  44 115.372  -7.271  -2.691
   10    HE3  LYS  44           HE3      LYS  44 113.715  -7.839  -2.604
   11    HZ1  LYS  44           HZ1      LYS  44 115.703  -9.907  -2.947
   12    HZ2  LYS  44           HZ2      LYS  44 115.807  -9.064  -1.475
   13    HZ3  LYS  44           HZ3      LYS  44 114.368  -9.841  -1.911

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  45           HA       PRO  45 112.792  -6.276 -10.234
    2    HB2  PRO  45           HB2      PRO  45 111.110  -4.148 -10.401
    3    HB3  PRO  45           HB3      PRO  45 110.608  -5.806 -10.728
    4    HG2  PRO  45           HG2      PRO  45 109.992  -4.070  -8.427
    5    HG3  PRO  45           HG3      PRO  45 109.153  -5.495  -9.039
    6    HD2  PRO  45           HD2      PRO  45 110.960  -5.360  -6.812
    7    HD3  PRO  45           HD3      PRO  45 110.055  -6.773  -7.423

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  46           H        GLY  46 113.890  -4.527 -11.112
    2    HA2  GLY  46           HA2      GLY  46 115.671  -3.002 -10.912
    3    HA3  GLY  46           HA3      GLY  46 115.299  -2.826  -9.200

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  47           H        LYS  47 115.652  -0.522 -10.218
    2    HA   LYS  47           HA       LYS  47 113.259   0.853  -9.986
    3    HB2  LYS  47           HB2      LYS  47 114.411   2.802 -10.681
    4    HB3  LYS  47           HB3      LYS  47 115.526   1.857  -9.723
    5    HG2  LYS  47           HG2      LYS  47 115.800   1.051 -12.463
    6    HG3  LYS  47           HG3      LYS  47 115.791   2.793 -12.451
    7    HD2  LYS  47           HD2      LYS  47 118.067   2.162 -12.208
    8    HD3  LYS  47           HD3      LYS  47 117.549   2.685 -10.610
    9    HE2  LYS  47           HE2      LYS  47 117.415  -0.209 -11.405
   10    HE3  LYS  47           HE3      LYS  47 118.926   0.485 -10.841
   11    HZ1  LYS  47           HZ1      LYS  47 117.218   1.400  -9.009
   12    HZ2  LYS  47           HZ2      LYS  47 116.508  -0.102  -9.365
   13    HZ3  LYS  47           HZ3      LYS  47 118.118  -0.031  -8.833

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  48           H        SER  48 114.578  -0.798 -12.666
    2    HA   SER  48           HA       SER  48 112.717   0.596 -14.509
    3    HB2  SER  48           HB2      SER  48 115.210  -1.024 -14.986
    4    HB3  SER  48           HB3      SER  48 114.147  -0.487 -16.285
    5    HG   SER  48           HG       SER  48 115.962   0.907 -14.782

  No H/Q in entry =           5
  In of MODEL    7
    1    H    ASP  49           H        ASP  49 112.923  -2.320 -12.783
    2    HA   ASP  49           HA       ASP  49 111.593  -3.924 -14.870
    3    HB2  ASP  49           HB2      ASP  49 112.443  -4.526 -12.068
    4    HB3  ASP  49           HB3      ASP  49 111.523  -5.653 -13.031

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR  50           H        THR  50 109.516  -5.046 -14.300
    2    HA   THR  50           HA       THR  50 107.727  -3.112 -12.982
    3    HB   THR  50           HB       THR  50 106.837  -5.341 -14.761
    4    HG1  THR  50           HG1      THR  50 106.690  -3.466 -16.277
    5   HG21  THR  50          HG21      THR  50 105.591  -2.792 -13.791
    6   HG22  THR  50          HG22      THR  50 104.941  -3.759 -15.115
    7   HG23  THR  50          HG23      THR  50 105.064  -4.465 -13.505

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  51           H        VAL  51 106.161  -3.743 -11.548
    2    HA   VAL  51           HA       VAL  51 106.674  -6.339 -10.230
    3    HB   VAL  51           HB       VAL  51 107.621  -4.235  -9.132

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  52           H        THR  52 104.945  -7.134  -8.880
    2    HA   THR  52           HA       THR  52 102.252  -6.090  -9.592
    3    HB   THR  52           HB       THR  52 103.132  -8.978  -9.483
    4    HG1  THR  52           HG1      THR  52 103.066  -7.170 -11.436
    5   HG21  THR  52          HG21      THR  52 100.451  -7.659  -9.733
    6   HG22  THR  52          HG22      THR  52 100.746  -9.269 -10.384
    7   HG23  THR  52          HG23      THR  52 100.948  -8.981  -8.669

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  53           H        VAL  53 101.227  -5.507  -7.712
    2    HA   VAL  53           HA       VAL  53 101.642  -7.146  -5.282
    3    HB   VAL  53           HB       VAL  53 102.278  -5.237  -3.966

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLU  54           H        GLU  54 100.254  -6.471  -3.439
    2    HA   GLU  54           HA       GLU  54  97.753  -5.069  -4.284
    3    HB2  GLU  54           HB2      GLU  54  97.721  -7.028  -1.974
    4    HB3  GLU  54           HB3      GLU  54  96.404  -6.404  -2.951
    5    HG2  GLU  54           HG2      GLU  54  96.640  -7.955  -4.576
    6    HG3  GLU  54           HG3      GLU  54  98.366  -8.061  -4.425

  No H/Q in entry =           6
  In of MODEL    7
    1    H    TYR  55           H        TYR  55  96.955  -3.529  -2.591
    2    HA   TYR  55           HA       TYR  55  98.587  -3.300  -0.203
    3    HB2  TYR  55           HB2      TYR  55  99.396  -1.032  -0.884
    4    HB3  TYR  55           HB3      TYR  55 100.037  -2.349  -1.872
    5    HD1  TYR  55           HD1      TYR  55  97.572   0.401  -1.772
    6    HD2  TYR  55           HD2      TYR  55  99.323  -2.670  -4.178
    7    HE1  TYR  55           HE1      TYR  55  96.432   1.348  -3.758
    8    HE2  TYR  55           HE2      TYR  55  98.202  -1.727  -6.170
    9    HH   TYR  55           HH       TYR  55  97.294   0.617  -6.853

  No H/Q in entry =           9
  In of MODEL    7
    1    H    THR  56           H        THR  56  98.030  -1.483   1.178
    2    HA   THR  56           HA       THR  56  95.457  -0.215   0.601
    3    HB   THR  56           HB       THR  56  96.178  -1.608   3.123
    4    HG1  THR  56           HG1      THR  56  93.593  -1.353   2.316
    5   HG21  THR  56          HG21      THR  56  94.230   0.698   2.892
    6   HG22  THR  56          HG22      THR  56  94.386  -0.361   4.293
    7   HG23  THR  56          HG23      THR  56  95.709   0.707   3.846

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  57           H        GLY  57  95.420   1.937   0.776
    2    HA2  GLY  57           HA2      GLY  57  97.021   3.814   0.513
    3    HA3  GLY  57           HA3      GLY  57  97.872   3.193   1.917

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ARG  58           H        ARG  58  97.663   4.826   3.382
    2    HA   ARG  58           HA       ARG  58  95.070   6.085   3.724
    3    HB2  ARG  58           HB2      ARG  58  94.758   5.536   5.978
    4    HB3  ARG  58           HB3      ARG  58  95.116   4.015   5.171
    5    HG2  ARG  58           HG2      ARG  58  97.375   3.988   5.982
    6    HG3  ARG  58           HG3      ARG  58  97.279   5.640   6.569
    7    HD2  ARG  58           HD2      ARG  58  96.899   4.609   8.565
    8    HD3  ARG  58           HD3      ARG  58  95.243   4.554   7.987
    9    HE   ARG  58           HE       ARG  58  97.149   2.322   8.079
   10   HH11  ARG  58          HH11      ARG  58  94.032   3.541   7.148
   11   HH12  ARG  58          HH12      ARG  58  93.317   1.970   7.021
   12   HH21  ARG  58          HH21      ARG  58  96.212   0.282   7.896
   13   HH22  ARG  58          HH22      ARG  58  94.547   0.124   7.448

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  59           H        LEU  59  95.093   7.749   5.395
    2    HA   LEU  59           HA       LEU  59  97.455   9.430   5.105
    3    HB2  LEU  59           HB2      LEU  59  94.634   9.744   5.872
    4    HB3  LEU  59           HB3      LEU  59  95.707  10.798   6.758
    5    HG   LEU  59           HG       LEU  59  96.669  11.434   4.438
    6   HD11  LEU  59          HD11      LEU  59  95.580   9.611   3.186
    7   HD12  LEU  59          HD12      LEU  59  94.018  10.252   3.614
    8   HD13  LEU  59          HD13      LEU  59  95.075  11.186   2.596
    9   HD21  LEU  59          HD21      LEU  59  95.094  12.811   5.929
   10   HD22  LEU  59          HD22      LEU  59  95.133  13.206   4.219
   11   HD23  LEU  59          HD23      LEU  59  93.802  12.275   4.864

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE  60           H        ILE  60  98.278  10.555   7.024
    2    HA   ILE  60           HA       ILE  60  99.232   8.780   8.998
    3    HB   ILE  60           HB       ILE  60 100.182  10.667  10.055
    4   HD11  ILE  60          HD11      ILE  60  98.782  12.826   7.356
    5   HD12  ILE  60          HD12      ILE  60  97.354  11.960   7.913
    6   HD13  ILE  60          HD13      ILE  60  97.602  13.617   8.405

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ASP  61           H        ASP  61  96.438  10.674   8.709
    2    HA   ASP  61           HA       ASP  61  95.671  10.504  11.511
    3    HB2  ASP  61           HB2      ASP  61  95.405  12.569  10.114
    4    HB3  ASP  61           HB3      ASP  61  94.157  11.716   9.201

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLY  62           H        GLY  62  95.526   8.382   9.032
    2    HA2  GLY  62           HA2      GLY  62  93.246   7.001  10.235
    3    HA3  GLY  62           HA3      GLY  62  94.415   6.324   9.124

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  63           H        THR  63  93.435   9.233   7.782
    2    HA   THR  63           HA       THR  63  90.892   8.423   6.723
    3    HB   THR  63           HB       THR  63  92.694  10.414   5.372
    4    HG1  THR  63           HG1      THR  63  92.737  11.309   7.288
    5   HG21  THR  63          HG21      THR  63  90.468   9.640   4.425
    6   HG22  THR  63          HG22      THR  63  89.729  10.450   5.797
    7   HG23  THR  63          HG23      THR  63  90.665  11.383   4.631

  No H/Q in entry =           7
  In of MODEL    7
    1    H    VAL  64           H        VAL  64  90.859   6.529   5.631
    2    HA   VAL  64           HA       VAL  64  92.968   5.746   3.871
    3    HB   VAL  64           HB       VAL  64  90.209   4.589   4.183

  No H/Q in entry =           3
  In of MODEL    7
    1    H    PHE  65           H        PHE  65  93.383   6.437   1.992
    2    HA   PHE  65           HA       PHE  65  91.172   7.598   0.392
    3    HB2  PHE  65           HB2      PHE  65  92.678   9.134  -0.520
    4    HB3  PHE  65           HB3      PHE  65  92.967   9.129   1.215
    5    HD1  PHE  65           HD1      PHE  65  94.855   7.655   2.104
    6    HD2  PHE  65           HD2      PHE  65  94.476   8.751  -2.020
    7    HE1  PHE  65           HE1      PHE  65  97.265   7.179   1.764
    8    HE2  PHE  65           HE2      PHE  65  96.884   8.284  -2.358
    9    HZ   PHE  65           HZ       PHE  65  98.281   7.496  -0.470

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP  66           H        ASP  66  93.273   5.022   0.559
    2    HA   ASP  66           HA       ASP  66  92.495   4.160  -2.078
    3    HB2  ASP  66           HB2      ASP  66  95.047   3.526  -2.514
    4    HB3  ASP  66           HB3      ASP  66  94.407   5.080  -3.009

  No H/Q in entry =           4
  In of MODEL    7
    1    H    SER  67           H        SER  67  92.602   1.954  -2.383
    2    HA   SER  67           HA       SER  67  93.890   0.280  -0.457
    3    HB2  SER  67           HB2      SER  67  91.951  -0.802   0.433
    4    HB3  SER  67           HB3      SER  67  91.847   0.923   0.749
    5    HG   SER  67           HG       SER  67  90.392  -0.686  -1.019

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  68           H        THR  68  94.023  -1.899  -1.006
    2    HA   THR  68           HA       THR  68  92.734  -2.829  -3.453
    3    HB   THR  68           HB       THR  68  95.740  -2.532  -3.309
    4    HG1  THR  68           HG1      THR  68  95.347  -1.160  -5.115
    5   HG21  THR  68          HG21      THR  68  93.892  -3.857  -5.280
    6   HG22  THR  68          HG22      THR  68  95.517  -3.344  -5.716
    7   HG23  THR  68          HG23      THR  68  95.288  -4.541  -4.453

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  69           H        GLU  69  95.157  -3.389  -0.940
    2    HA   GLU  69           HA       GLU  69  95.279  -6.186  -1.270
    3    HB2  GLU  69           HB2      GLU  69  96.315  -6.240   0.922
    4    HB3  GLU  69           HB3      GLU  69  97.001  -5.008  -0.119
    5    HG2  GLU  69           HG2      GLU  69  96.743  -3.903   1.913
    6    HG3  GLU  69           HG3      GLU  69  95.385  -3.400   0.933

  No H/Q in entry =           6
  In of MODEL    7
    1    H    LYS  70           H        LYS  70  92.981  -4.120   0.255
    2    HA   LYS  70           HA       LYS  70  91.780  -5.925   1.996
    3    HB2  LYS  70           HB2      LYS  70  90.502  -3.778   0.307
    4    HB3  LYS  70           HB3      LYS  70  89.719  -4.580   1.670
    5    HG2  LYS  70           HG2      LYS  70  92.351  -3.126   1.866
    6    HG3  LYS  70           HG3      LYS  70  90.803  -2.347   2.200
    7    HD2  LYS  70           HD2      LYS  70  90.403  -4.282   3.875
    8    HD3  LYS  70           HD3      LYS  70  92.123  -4.608   3.719
    9    HE2  LYS  70           HE2      LYS  70  92.661  -2.339   4.396
   10    HE3  LYS  70           HE3      LYS  70  90.946  -1.948   4.528
   11    HZ1  LYS  70           HZ1      LYS  70  91.234  -4.216   6.009
   12    HZ2  LYS  70           HZ2      LYS  70  92.642  -3.338   6.365
   13    HZ3  LYS  70           HZ3      LYS  70  91.121  -2.636   6.624

  No H/Q in entry =          13
  In of MODEL    7
    1    H    THR  71           H        THR  71  91.366  -5.332  -1.425
    2    HA   THR  71           HA       THR  71  89.445  -7.428  -1.849
    3    HB   THR  71           HB       THR  71  89.808  -6.977  -4.221
    4    HG1  THR  71           HG1      THR  71  91.877  -5.264  -3.350
    5   HG21  THR  71          HG21      THR  71  89.748  -4.492  -2.500
    6   HG22  THR  71          HG22      THR  71  89.349  -4.509  -4.216
    7   HG23  THR  71          HG23      THR  71  88.356  -5.410  -3.070

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  72           H        GLY  72  92.907  -6.998  -1.994
    2    HA2  GLY  72           HA2      GLY  72  93.367  -9.840  -1.900
    3    HA3  GLY  72           HA3      GLY  72  94.586  -8.577  -1.796

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS  73           H        LYS  73  93.157  -7.424  -4.308
    2    HA   LYS  73           HA       LYS  73  94.177  -9.336  -6.295
    3    HB2  LYS  73           HB2      LYS  73  92.265  -7.037  -6.405
    4    HB3  LYS  73           HB3      LYS  73  93.067  -7.545  -7.886
    5    HG2  LYS  73           HG2      LYS  73  91.253  -8.928  -8.059
    6    HG3  LYS  73           HG3      LYS  73  92.206  -9.977  -7.023
    7    HD2  LYS  73           HD2      LYS  73  91.081  -8.759  -5.048
    8    HD3  LYS  73           HD3      LYS  73  89.951  -8.128  -6.247
    9    HE2  LYS  73           HE2      LYS  73  90.264 -10.908  -5.212
   10    HE3  LYS  73           HE3      LYS  73  88.803 -10.059  -5.711
   11    HZ1  LYS  73           HZ1      LYS  73  90.889 -11.062  -7.571
   12    HZ2  LYS  73           HZ2      LYS  73  89.435 -11.867  -7.227
   13    HZ3  LYS  73           HZ3      LYS  73  89.408 -10.355  -8.001

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  74           HA       PRO  74  97.876  -6.855  -6.357
    2    HB2  PRO  74           HB2      PRO  74  98.591  -8.480  -8.734
    3    HB3  PRO  74           HB3      PRO  74  99.482  -8.210  -7.226
    4    HG2  PRO  74           HG2      PRO  74  98.280 -10.525  -7.718
    5    HG3  PRO  74           HG3      PRO  74  98.319  -9.828  -6.097
    6    HD2  PRO  74           HD2      PRO  74  96.091  -9.845  -8.084
    7    HD3  PRO  74           HD3      PRO  74  96.086 -10.124  -6.335

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  75           H        ALA  75  98.854  -5.285  -7.581
    2    HA   ALA  75           HA       ALA  75  97.520  -4.440 -10.091
    3    HB1  ALA  75           HB1      ALA  75  97.147  -3.045  -7.865
    4    HB2  ALA  75           HB2      ALA  75  97.424  -2.226  -9.401
    5    HB3  ALA  75           HB3      ALA  75  98.746  -2.419  -8.253

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  76           H        THR  76  99.008  -3.467 -11.653
    2    HA   THR  76           HA       THR  76 101.832  -4.143 -11.092
    3    HB   THR  76           HB       THR  76 101.100  -5.466 -12.882
    4    HG1  THR  76           HG1      THR  76 102.956  -4.770 -13.620
    5   HG21  THR  76          HG21      THR  76  99.759  -2.938 -13.838
    6   HG22  THR  76          HG22      THR  76 100.047  -4.297 -14.923
    7   HG23  THR  76          HG23      THR  76  99.023  -4.506 -13.502

  No H/Q in entry =           7
  In of MODEL    7
    1    H    PHE  77           H        PHE  77 103.388  -2.751 -11.184
    2    HA   PHE  77           HA       PHE  77 103.028  -0.143 -12.498
    3    HB2  PHE  77           HB2      PHE  77 104.191  -0.425  -9.727
    4    HB3  PHE  77           HB3      PHE  77 103.986   1.051 -10.636
    5    HD1  PHE  77           HD1      PHE  77 102.618  -0.975  -8.153
    6    HD2  PHE  77           HD2      PHE  77 101.488   1.536 -11.451
    7    HE1  PHE  77           HE1      PHE  77 100.362  -0.711  -7.183
    8    HE2  PHE  77           HE2      PHE  77  99.241   1.836 -10.476
    9    HZ   PHE  77           HZ       PHE  77  98.667   0.728  -8.345

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLN  78           H        GLN  78 104.984   0.802 -13.036
    2    HA   GLN  78           HA       GLN  78 107.280  -1.009 -13.042
    3    HB2  GLN  78           HB2      GLN  78 106.628   1.451 -14.627
    4    HB3  GLN  78           HB3      GLN  78 108.285   0.902 -14.483
    5    HG2  GLN  78           HG2      GLN  78 107.494  -1.351 -15.269
    6    HG3  GLN  78           HG3      GLN  78 105.958  -0.599 -15.650
    7   HE21  GLN  78          HE21      GLN  78 108.197   1.751 -16.071
    8   HE22  GLN  78          HE22      GLN  78 108.526   1.570 -17.723

  No H/Q in entry =           8
  In of MODEL    7
    1    H    VAL  79           H        VAL  79 108.799  -0.774 -11.600
    2    HA   VAL  79           HA       VAL  79 108.577   0.781  -9.389
    3    HB   VAL  79           HB       VAL  79 111.207  -0.012 -10.653

  No H/Q in entry =           3
  In of MODEL    7
    1    H    SER  80           H        SER  80 109.942   1.697 -12.534
    2    HA   SER  80           HA       SER  80 111.145   4.095 -11.567
    3    HB2  SER  80           HB2      SER  80 112.156   3.456 -13.543
    4    HB3  SER  80           HB3      SER  80 110.638   2.922 -14.255
    5    HG   SER  80           HG       SER  80 111.739   5.487 -14.046

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLN  81           H        GLN  81 107.979   3.236 -12.615
    2    HA   GLN  81           HA       GLN  81 107.190   6.055 -12.962
    3    HB2  GLN  81           HB2      GLN  81 105.518   3.601 -13.368
    4    HB3  GLN  81           HB3      GLN  81 105.201   5.245 -13.906
    5    HG2  GLN  81           HG2      GLN  81 107.496   3.522 -14.838
    6    HG3  GLN  81           HG3      GLN  81 106.017   3.911 -15.751
    7   HE21  GLN  81          HE21      GLN  81 109.159   4.729 -15.744
    8   HE22  GLN  81          HE22      GLN  81 109.065   6.377 -16.131

  No H/Q in entry =           8
  In of MODEL    7
    1    H    VAL  82           H        VAL  82 107.188   3.727 -10.435
    2    HA   VAL  82           HA       VAL  82 104.673   4.691  -9.254
    3    HB   VAL  82           HB       VAL  82 105.520   2.262  -9.244

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ILE  83           H        ILE  83 104.701   5.207  -6.827
    2    HA   ILE  83           HA       ILE  83 105.900   7.660  -6.550
    3    HB   ILE  83           HB       ILE  83 105.560   6.602  -3.875
    4   HD11  ILE  83          HD11      ILE  83 103.225   6.522  -3.021
    5   HD12  ILE  83          HD12      ILE  83 101.965   6.248  -4.215
    6   HD13  ILE  83          HD13      ILE  83 102.668   4.891  -3.351

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   PRO  84           HA       PRO  84 110.245   7.098  -5.758
    2    HB2  PRO  84           HB2      PRO  84 109.850   8.931  -3.423
    3    HB3  PRO  84           HB3      PRO  84 111.062   9.014  -4.713
    4    HG2  PRO  84           HG2      PRO  84 108.973  10.646  -4.694
    5    HG3  PRO  84           HG3      PRO  84 109.582   9.963  -6.196
    6    HD2  PRO  84           HD2      PRO  84 107.143   9.256  -4.698
    7    HD3  PRO  84           HD3      PRO  84 107.427   9.196  -6.435

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  85           H        GLY  85 108.246   7.289  -2.805
    2    HA2  GLY  85           HA2      GLY  85 108.235   5.926  -0.942
    3    HA3  GLY  85           HA3      GLY  85 109.983   5.923  -1.090

  No H/Q in entry =           3
  In of MODEL    7
    1    H    TRP  86           H        TRP  86 107.411   4.774  -3.141
    2    HA   TRP  86           HA       TRP  86 107.693   1.994  -2.633
    3    HB2  TRP  86           HB2      TRP  86 106.366   3.718  -4.680
    4    HB3  TRP  86           HB3      TRP  86 106.513   2.000  -5.008
    5    HD1  TRP  86           HD1      TRP  86 105.211   4.172  -2.040
    6    HE1  TRP  86           HE1      TRP  86 103.141   2.995  -1.101
    7    HE3  TRP  86           HE3      TRP  86 105.162   0.135  -5.035
    8    HZ2  TRP  86           HZ2      TRP  86 101.660   0.585  -1.606
    9    HZ3  TRP  86           HZ3      TRP  86 103.447  -1.584  -4.798
   10    HH2  TRP  86           HH2      TRP  86 101.666  -1.359  -3.078

  No H/Q in entry =          10
  In of MODEL    7
    1    H    THR  87           H        THR  87 109.104   4.205  -5.014
    2    HA   THR  87           HA       THR  87 110.166   2.450  -6.833
    3    HB   THR  87           HB       THR  87 111.573   4.898  -5.768
    4    HG1  THR  87           HG1      THR  87 110.354   5.948  -7.418
    5   HG21  THR  87          HG21      THR  87 112.762   3.326  -7.407
    6   HG22  THR  87          HG22      THR  87 111.551   3.836  -8.572
    7   HG23  THR  87          HG23      THR  87 112.625   5.014  -7.868

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLU  88           H        GLU  88 111.783   3.646  -3.898
    2    HA   GLU  88           HA       GLU  88 114.020   1.899  -4.192
    3    HB2  GLU  88           HB2      GLU  88 114.017   4.093  -2.974
    4    HB3  GLU  88           HB3      GLU  88 113.116   3.302  -1.679
    5    HG2  GLU  88           HG2      GLU  88 115.433   3.190  -1.057
    6    HG3  GLU  88           HG3      GLU  88 114.986   1.572  -1.593

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ALA  89           H        ALA  89 111.129   1.807  -2.140
    2    HA   ALA  89           HA       ALA  89 111.799  -0.379  -0.556
    3    HB1  ALA  89           HB1      ALA  89 109.090   0.522  -1.512
    4    HB2  ALA  89           HB2      ALA  89 109.910   0.998  -0.028
    5    HB3  ALA  89           HB3      ALA  89 109.365  -0.660  -0.240

  No H/Q in entry =           5
  In of MODEL    7
    1    H    LEU  90           H        LEU  90 110.013  -0.475  -3.690
    2    HA   LEU  90           HA       LEU  90 109.430  -3.214  -3.639
    3    HB2  LEU  90           HB2      LEU  90 110.089  -1.495  -6.038
    4    HB3  LEU  90           HB3      LEU  90 109.294  -3.054  -6.095
    5    HG   LEU  90           HG       LEU  90 108.180  -0.772  -4.470
    6   HD11  LEU  90          HD11      LEU  90 107.796  -1.417  -7.380
    7   HD12  LEU  90          HD12      LEU  90 106.691  -0.407  -6.496
    8   HD13  LEU  90          HD13      LEU  90 108.370   0.083  -6.690
    9   HD21  LEU  90          HD21      LEU  90 107.092  -3.339  -5.573
   10   HD22  LEU  90          HD22      LEU  90 107.149  -2.838  -3.899
   11   HD23  LEU  90          HD23      LEU  90 106.039  -2.061  -5.036

  No H/Q in entry =          11
  In of MODEL    7
    1    H    GLN  91           H        GLN  91 112.260  -1.469  -4.787
    2    HA   GLN  91           HA       GLN  91 113.656  -3.649  -5.881
    3    HB2  GLN  91           HB2      GLN  91 114.723  -1.081  -4.716
    4    HB3  GLN  91           HB3      GLN  91 115.592  -2.161  -5.801
    5    HG2  GLN  91           HG2      GLN  91 113.993  -1.768  -7.574
    6    HG3  GLN  91           HG3      GLN  91 112.963  -0.837  -6.490
    7   HE21  GLN  91          HE21      GLN  91 113.150   1.262  -7.423
    8   HE22  GLN  91          HE22      GLN  91 114.632   2.064  -7.629

  No H/Q in entry =           8
  In of MODEL    7
    1    H    LEU  92           H        LEU  92 113.199  -2.564  -2.619
    2    HA   LEU  92           HA       LEU  92 115.402  -4.288  -1.625
    3    HB2  LEU  92           HB2      LEU  92 113.704  -2.260  -0.158
    4    HB3  LEU  92           HB3      LEU  92 115.062  -3.154   0.521
    5    HG   LEU  92           HG       LEU  92 115.261  -1.230  -1.801
    6   HD11  LEU  92          HD11      LEU  92 115.965  -0.932   1.103
    7   HD12  LEU  92          HD12      LEU  92 116.405   0.207  -0.171
    8   HD13  LEU  92          HD13      LEU  92 114.711  -0.060   0.222
    9   HD21  LEU  92          HD21      LEU  92 117.241  -2.911  -0.308
   10   HD22  LEU  92          HD22      LEU  92 117.050  -2.729  -2.050
   11   HD23  LEU  92          HD23      LEU  92 117.732  -1.420  -1.098

  No H/Q in entry =          11
  In of MODEL    7
    1    H    MET  93           H        MET  93 112.108  -4.276  -2.145
    2    HA   MET  93           HA       MET  93 111.394  -5.939   0.124
    3    HB2  MET  93           HB2      MET  93 109.934  -4.169  -0.731
    4    HB3  MET  93           HB3      MET  93 109.811  -5.036  -2.261
    5    HG2  MET  93           HG2      MET  93 108.710  -6.869  -1.244
    6    HG3  MET  93           HG3      MET  93 109.071  -6.282   0.385
    7    HE1  MET  93           HE1      MET  93 106.539  -7.245  -0.840
    8    HE2  MET  93           HE2      MET  93 106.024  -6.524   0.668
    9    HE3  MET  93           HE3      MET  93 105.213  -6.118  -0.839

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   PRO  94           HA       PRO  94 112.377  -9.541  -2.604
    2    HB2  PRO  94           HB2      PRO  94 111.988 -11.120  -0.156
    3    HB3  PRO  94           HB3      PRO  94 113.416 -11.014  -1.192
    4    HG2  PRO  94           HG2      PRO  94 113.380  -9.941   1.252
    5    HG3  PRO  94           HG3      PRO  94 114.220  -9.149  -0.097
    6    HD2  PRO  94           HD2      PRO  94 111.508  -8.549   1.030
    7    HD3  PRO  94           HD3      PRO  94 112.819  -7.452   0.619

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  95           H        ALA  95 111.135 -11.103  -3.557
    2    HA   ALA  95           HA       ALA  95 108.350 -10.791  -3.376
    3    HB1  ALA  95           HB1      ALA  95 110.020 -12.854  -4.772
    4    HB2  ALA  95           HB2      ALA  95 108.260 -12.790  -4.889
    5    HB3  ALA  95           HB3      ALA  95 109.231 -11.444  -5.477

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  96           H        GLY  96 106.772 -11.839  -2.452
    2    HA2  GLY  96           HA2      GLY  96 107.331 -14.288  -0.935
    3    HA3  GLY  96           HA3      GLY  96 105.748 -13.609  -1.315

  No H/Q in entry =           3
  In of MODEL    7
    1    H    SER  97           H        SER  97 108.163 -11.389  -0.335
    2    HA   SER  97           HA       SER  97 107.437 -11.486   2.488
    3    HB2  SER  97           HB2      SER  97 109.309 -10.169   2.851
    4    HB3  SER  97           HB3      SER  97 109.780 -10.939   1.337
    5    HG   SER  97           HG       SER  97 109.720  -9.050   0.442

  No H/Q in entry =           5
  In of MODEL    7
    1    H    THR  98           H        THR  98 105.968 -10.234   3.428
    2    HA   THR  98           HA       THR  98 104.678  -8.132   1.823
    3    HB   THR  98           HB       THR  98 103.691  -9.423   4.373
    4    HG1  THR  98           HG1      THR  98 103.867 -10.635   2.221
    5   HG21  THR  98          HG21      THR  98 102.486  -7.505   2.356
    6   HG22  THR  98          HG22      THR  98 101.561  -8.374   3.586
    7   HG23  THR  98          HG23      THR  98 102.801  -7.221   4.067

  No H/Q in entry =           7
  In of MODEL    7
    1    H    TRP  99           H        TRP  99 105.399  -6.170   2.175
    2    HA   TRP  99           HA       TRP  99 106.380  -5.449   4.870
    3    HB2  TRP  99           HB2      TRP  99 107.166  -4.393   2.146
    4    HB3  TRP  99           HB3      TRP  99 107.642  -3.631   3.654
    5    HD1  TRP  99           HD1      TRP  99 107.747  -7.360   3.959
    6    HE1  TRP  99           HE1      TRP  99 110.143  -8.190   3.826
    7    HE3  TRP  99           HE3      TRP  99 109.980  -3.073   2.356
    8    HZ2  TRP  99           HZ2      TRP  99 112.732  -7.149   3.129
    9    HZ3  TRP  99           HZ3      TRP  99 112.432  -3.020   1.976
   10    HH2  TRP  99           HH2      TRP  99 113.810  -5.047   2.363

  No H/Q in entry =          10
  In of MODEL    7
    1    H    GLU 100           H        GLU 100 106.272  -3.151   5.311
    2    HA   GLU 100           HA       GLU 100 103.955  -1.742   4.173
    3    HB2  GLU 100           HB2      GLU 100 104.620  -2.136   7.088
    4    HB3  GLU 100           HB3      GLU 100 103.708  -0.733   6.551
    5    HG2  GLU 100           HG2      GLU 100 102.015  -2.151   5.587
    6    HG3  GLU 100           HG3      GLU 100 102.924  -3.595   5.981

  No H/Q in entry =           6
  In of MODEL    7
    1    H    ILE 101           H        ILE 101 104.565   0.307   3.530
    2    HA   ILE 101           HA       ILE 101 107.027   1.369   4.675
    3    HB   ILE 101           HB       ILE 101 107.970   1.932   2.659
    4   HD11  ILE 101          HD11      ILE 101 108.004   2.604   0.389
    5   HD12  ILE 101          HD12      ILE 101 107.252   1.099  -0.130
    6   HD13  ILE 101          HD13      ILE 101 106.544   2.637  -0.585

  No H/Q in entry =           6
  In of MODEL    7
    1    H    TYR 102           H        TYR 102 107.100   3.376   5.219
    2    HA   TYR 102           HA       TYR 102 104.587   4.925   5.046
    3    HB2  TYR 102           HB2      TYR 102 106.907   5.203   6.965
    4    HB3  TYR 102           HB3      TYR 102 105.373   6.019   7.085
    5    HD1  TYR 102           HD1      TYR 102 106.381   2.394   6.552
    6    HD2  TYR 102           HD2      TYR 102 104.114   5.186   8.884
    7    HE1  TYR 102           HE1      TYR 102 105.495   0.546   7.853
    8    HE2  TYR 102           HE2      TYR 102 103.221   3.308  10.227
    9    HH   TYR 102           HH       TYR 102 104.536   0.159  10.079

  No H/Q in entry =           9
  In of MODEL    7
    1    H    VAL 103           H        VAL 103 104.845   6.108   3.246
    2    HA   VAL 103           HA       VAL 103 107.389   7.097   2.449
    3    HB   VAL 103           HB       VAL 103 104.793   7.610   1.111

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO 104           HA       PRO 104 106.828  11.150   4.369
    2    HB2  PRO 104           HB2      PRO 104 109.072  11.743   2.483
    3    HB3  PRO 104           HB3      PRO 104 108.952  12.086   4.219
    4    HG2  PRO 104           HG2      PRO 104 110.492  10.099   3.239
    5    HG3  PRO 104           HG3      PRO 104 109.716   9.996   4.812
    6    HD2  PRO 104           HD2      PRO 104 109.058   8.576   2.318
    7    HD3  PRO 104           HD3      PRO 104 108.697   8.136   4.002

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER 105           H        SER 105 105.737  12.964   3.577
    2    HA   SER 105           HA       SER 105 104.249  12.770   1.284
    3    HB2  SER 105           HB2      SER 105 103.749  15.126   1.523
    4    HB3  SER 105           HB3      SER 105 103.857  14.404   3.125
    5    HG   SER 105           HG       SER 105 105.607  16.148   1.806

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY 106           H        GLY 106 107.490  14.037   1.673
    2    HA2  GLY 106           HA2      GLY 106 109.069  14.735   0.156
    3    HA3  GLY 106           HA3      GLY 106 107.750  15.269  -0.876

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LEU 107           H        LEU 107 108.160  11.986   0.290
    2    HA   LEU 107           HA       LEU 107 109.150  11.102  -2.352
    3    HB2  LEU 107           HB2      LEU 107 108.934   9.608   0.275
    4    HB3  LEU 107           HB3      LEU 107 109.618   8.954  -1.192
    5    HG   LEU 107           HG       LEU 107 110.683  11.287   0.415
    6   HD11  LEU 107          HD11      LEU 107 111.172   9.035   1.318
    7   HD12  LEU 107          HD12      LEU 107 111.871   8.589  -0.228
    8   HD13  LEU 107          HD13      LEU 107 112.631   9.839   0.744
    9   HD21  LEU 107          HD21      LEU 107 111.380  10.287  -2.324
   10   HD22  LEU 107          HD22      LEU 107 111.219  11.947  -1.766
   11   HD23  LEU 107          HD23      LEU 107 112.635  11.000  -1.319

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ALA 108           H        ALA 108 106.196  11.604  -0.969
    2    HA   ALA 108           HA       ALA 108 105.001   9.188  -2.147
    3    HB1  ALA 108           HB1      ALA 108 103.690  11.147  -0.261
    4    HB2  ALA 108           HB2      ALA 108 103.075   9.590  -0.779
    5    HB3  ALA 108           HB3      ALA 108 104.472   9.682   0.255

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR 109           H        TYR 109 102.767  11.637  -1.572
    2    HA   TYR 109           HA       TYR 109 102.531  12.081  -4.424
    3    HB2  TYR 109           HB2      TYR 109 100.597  12.162  -2.161
    4    HB3  TYR 109           HB3      TYR 109 100.195  12.895  -3.720
    5    HD1  TYR 109           HD1      TYR 109 100.469   9.833  -1.904
    6    HD2  TYR 109           HD2      TYR 109 100.629  11.461  -5.864
    7    HE1  TYR 109           HE1      TYR 109 100.166   7.589  -2.840
    8    HE2  TYR 109           HE2      TYR 109 100.353   9.228  -6.807
    9    HH   TYR 109           HH       TYR 109 100.856   6.833  -6.002

  No H/Q in entry =           9
  In of MODEL    7
    1    H    GLY 110           H        GLY 110 104.110  13.672  -2.151
    2    HA2  GLY 110           HA2      GLY 110 103.572  16.267  -3.468
    3    HA3  GLY 110           HA3      GLY 110 105.115  15.759  -2.826

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO 111           HA       PRO 111 104.208  17.816   0.965
    2    HB2  PRO 111           HB2      PRO 111 105.172  20.279   0.540
    3    HB3  PRO 111           HB3      PRO 111 106.239  18.864   0.525
    4    HG2  PRO 111           HG2      PRO 111 105.040  20.316  -1.791
    5    HG3  PRO 111           HG3      PRO 111 106.716  19.790  -1.551
    6    HD2  PRO 111           HD2      PRO 111 104.923  18.360  -3.029
    7    HD3  PRO 111           HD3      PRO 111 106.241  17.594  -2.126

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ARG 112           H        ARG 112 102.665  18.681  -1.912
    2    HA   ARG 112           HA       ARG 112 100.811  20.585  -0.599
    3    HB2  ARG 112           HB2      ARG 112 101.367  19.988  -3.514
    4    HB3  ARG 112           HB3      ARG 112 100.089  21.062  -2.950
    5    HG2  ARG 112           HG2      ARG 112 101.755  22.502  -1.859
    6    HG3  ARG 112           HG3      ARG 112 103.049  21.419  -2.379
    7    HD2  ARG 112           HD2      ARG 112 102.371  21.815  -4.749
    8    HD3  ARG 112           HD3      ARG 112 101.181  22.981  -4.183
    9    HE   ARG 112           HE       ARG 112 104.020  23.401  -4.410
   10   HH11  ARG 112          HH11      ARG 112 101.128  24.269  -2.704
   11   HH12  ARG 112          HH12      ARG 112 101.720  25.828  -2.231
   12   HH21  ARG 112          HH21      ARG 112 104.790  25.435  -3.788
   13   HH22  ARG 112          HH22      ARG 112 103.789  26.487  -2.843

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER 113           H        SER 113  98.491  20.327  -1.410
    2    HA   SER 113           HA       SER 113  97.652  17.627  -0.911
    3    HB2  SER 113           HB2      SER 113  95.845  19.785  -1.973
    4    HB3  SER 113           HB3      SER 113  95.493  18.494  -0.831
    5    HG   SER 113           HG       SER 113  95.891  20.779  -0.057

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL 114           H        VAL 114  98.315  16.270  -2.573
    2    HA   VAL 114           HA       VAL 114  97.415  16.972  -5.322
    3    HB   VAL 114           HB       VAL 114  99.456  14.873  -4.611

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLY 115           H        GLY 115  95.293  16.130  -4.065
    2    HA2  GLY 115           HA2      GLY 115  95.028  13.283  -3.853
    3    HA3  GLY 115           HA3      GLY 115  94.399  13.878  -5.384

  No H/Q in entry =           3
  In of MODEL    7
    1    H    GLY 116           H        GLY 116  92.585  12.689  -4.002
    2    HA2  GLY 116           HA2      GLY 116  90.504  12.861  -3.031
    3    HA3  GLY 116           HA3      GLY 116  90.551  14.543  -3.517

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO 117           HA       PRO 117  90.421  14.431   1.142
    2    HB2  PRO 117           HB2      PRO 117  91.255  12.239   2.520
    3    HB3  PRO 117           HB3      PRO 117  89.638  12.367   1.808
    4    HG2  PRO 117           HG2      PRO 117  92.074  11.084   0.663
    5    HG3  PRO 117           HG3      PRO 117  90.439  10.433   0.794
    6    HD2  PRO 117           HD2      PRO 117  91.285  11.437  -1.501
    7    HD3  PRO 117           HD3      PRO 117  89.636  11.787  -0.933

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ILE 118           H        ILE 118  93.221  13.345  -0.451
    2    HA   ILE 118           HA       ILE 118  95.167  13.738   1.571
    3    HB   ILE 118           HB       ILE 118  95.500  14.075  -1.422
    4   HD11  ILE 118          HD11      ILE 118  93.944  12.478  -1.846
    5   HD12  ILE 118          HD12      ILE 118  95.047  11.267  -2.487
    6   HD13  ILE 118          HD13      ILE 118  93.986  10.874  -1.149

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY 119           H        GLY 119  95.463  15.597   2.572
    2    HA2  GLY 119           HA2      GLY 119  95.099  17.845   3.019
    3    HA3  GLY 119           HA3      GLY 119  94.767  18.144   1.329

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO 120           HA       PRO 120  98.788  19.890   1.010
    2    HB2  PRO 120           HB2      PRO 120  99.084  21.754   3.031
    3    HB3  PRO 120           HB3      PRO 120  98.166  22.038   1.552
    4    HG2  PRO 120           HG2      PRO 120  97.178  21.242   4.245
    5    HG3  PRO 120           HG3      PRO 120  96.486  22.377   3.096
    6    HD2  PRO 120           HD2      PRO 120  95.512  19.888   3.441
    7    HD3  PRO 120           HD3      PRO 120  95.491  20.680   1.852

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ASN 121           H        ASN 121 100.875  19.291   1.508
    2    HA   ASN 121           HA       ASN 121 102.589  18.199   2.601
    3    HB2  ASN 121           HB2      ASN 121 102.283  20.383   3.915
    4    HB3  ASN 121           HB3      ASN 121 101.462  19.398   5.127
    5   HD21  ASN 121          HD21      ASN 121 103.111  17.023   4.863
    6   HD22  ASN 121          HD22      ASN 121 104.653  17.409   5.453

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLU 122           H        GLU 122 100.639  16.436   2.110
    2    HA   GLU 122           HA       GLU 122  99.982  15.031   4.607
    3    HB2  GLU 122           HB2      GLU 122  98.852  15.182   1.914
    4    HB3  GLU 122           HB3      GLU 122  99.047  13.524   2.451
    5    HG2  GLU 122           HG2      GLU 122  96.869  14.225   3.080
    6    HG3  GLU 122           HG3      GLU 122  97.828  14.124   4.558

  No H/Q in entry =           6
  In of MODEL    7
    1    H    THR 123           H        THR 123 101.009  13.250   5.265
    2    HA   THR 123           HA       THR 123 103.031  12.005   3.501
    3    HB   THR 123           HB       THR 123 102.504  11.720   6.463
    4    HG1  THR 123           HG1      THR 123 104.309  12.899   6.689
    5   HG21  THR 123          HG21      THR 123 103.297   9.610   5.407
    6   HG22  THR 123          HG22      THR 123 104.668  10.486   4.771
    7   HG23  THR 123          HG23      THR 123 104.479  10.290   6.511

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU 124           H        LEU 124 102.536  10.105   2.543
    2    HA   LEU 124           HA       LEU 124 100.057   8.707   3.416
    3    HB2  LEU 124           HB2      LEU 124 101.417   8.699   0.710
    4    HB3  LEU 124           HB3      LEU 124  99.970   7.799   1.116
    5    HG   LEU 124           HG       LEU 124  99.094   9.673   0.023
    6   HD11  LEU 124          HD11      LEU 124  98.141   9.441   2.341
    7   HD12  LEU 124          HD12      LEU 124  99.213  10.758   2.802
    8   HD13  LEU 124          HD13      LEU 124  97.974  11.033   1.600
    9   HD21  LEU 124          HD21      LEU 124 101.298  10.845  -0.112
   10   HD22  LEU 124          HD22      LEU 124  99.917  11.905   0.146
   11   HD23  LEU 124          HD23      LEU 124 100.970  11.496   1.486

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE 125           H        ILE 125 100.097   6.589   3.866
    2    HA   ILE 125           HA       ILE 125 102.663   5.125   3.649
    3    HB   ILE 125           HB       ILE 125 102.285   5.329   5.975
    4   HD11  ILE 125          HD11      ILE 125 102.017   3.824   7.691
    5   HD12  ILE 125          HD12      ILE 125 100.970   2.433   7.501
    6   HD13  ILE 125          HD13      ILE 125 102.694   2.287   7.206

  No H/Q in entry =           6
  In of MODEL    7
    1    H    PHE 126           H        PHE 126 102.561   3.000   2.963
    2    HA   PHE 126           HA       PHE 126  99.917   1.976   2.215
    3    HB2  PHE 126           HB2      PHE 126 102.216   1.624   0.338
    4    HB3  PHE 126           HB3      PHE 126 100.477   1.512   0.016
    5    HD1  PHE 126           HD1      PHE 126  99.336   3.371  -0.874
    6    HD2  PHE 126           HD2      PHE 126 103.127   3.904   1.063
    7    HE1  PHE 126           HE1      PHE 126  99.367   5.758  -1.580
    8    HE2  PHE 126           HE2      PHE 126 103.143   6.271   0.359
    9    HZ   PHE 126           HZ       PHE 126 101.289   7.191  -0.957

  No H/Q in entry =           9
  In of MODEL    7
    1    H    LYS 127           H        LYS 127  99.741  -0.290   2.072
    2    HA   LYS 127           HA       LYS 127 101.895  -1.752   3.399
    3    HB2  LYS 127           HB2      LYS 127  99.420  -3.264   2.927
    4    HB3  LYS 127           HB3      LYS 127 100.279  -3.006   4.420
    5    HG2  LYS 127           HG2      LYS 127  98.406  -1.022   3.167
    6    HG3  LYS 127           HG3      LYS 127  97.981  -2.123   4.465
    7    HD2  LYS 127           HD2      LYS 127  99.693  -1.109   5.924
    8    HD3  LYS 127           HD3      LYS 127 100.134   0.015   4.656
    9    HE2  LYS 127           HE2      LYS 127  97.861   0.941   4.666
   10    HE3  LYS 127           HE3      LYS 127  97.400  -0.196   5.932
   11    HZ1  LYS 127           HZ1      LYS 127  99.767   1.422   6.428
   12    HZ2  LYS 127           HZ2      LYS 127  98.284   2.243   6.438
   13    HZ3  LYS 127           HZ3      LYS 127  98.536   0.938   7.494

  No H/Q in entry =          13
  In of MODEL    7
    1    H    ILE 128           H        ILE 128 103.163  -2.977   2.123
    2    HA   ILE 128           HA       ILE 128 102.051  -3.578  -0.569
    3    HB   ILE 128           HB       ILE 128 105.004  -3.364  -0.023
    4   HD11  ILE 128          HD11      ILE 128 105.050  -0.773  -1.887
    5   HD12  ILE 128          HD12      ILE 128 104.865   0.419  -0.615
    6   HD13  ILE 128          HD13      ILE 128 106.011  -0.890  -0.408

  No H/Q in entry =           6
  In of MODEL    7
    1    H    HIS 129           H        HIS 129 101.785  -5.501  -1.150
    2    HA   HIS 129           HA       HIS 129 103.226  -7.739   0.142
    3    HB2  HIS 129           HB2      HIS 129 100.852  -7.824   0.687
    4    HB3  HIS 129           HB3      HIS 129 100.431  -7.579  -1.004
    5    HD2  HIS 129           HD2      HIS 129 103.186 -10.233   0.110
    6    HE1  HIS 129           HE1      HIS 129  99.949 -12.222  -1.760
    7    HE2  HIS 129           HE2      HIS 129 102.305 -12.502  -0.891

  No H/Q in entry =           7
  In of MODEL    7
    1    H    LEU 130           H        LEU 130 104.588  -8.820  -1.271
    2    HA   LEU 130           HA       LEU 130 104.229  -8.222  -4.130
    3    HB2  LEU 130           HB2      LEU 130 106.540  -8.612  -2.517
    4    HB3  LEU 130           HB3      LEU 130 106.503  -9.890  -3.684
    5    HG   LEU 130           HG       LEU 130 106.170  -7.010  -4.447
    6   HD11  LEU 130          HD11      LEU 130 108.642  -8.719  -4.300
    7   HD12  LEU 130          HD12      LEU 130 108.552  -7.315  -5.346
    8   HD13  LEU 130          HD13      LEU 130 108.393  -7.128  -3.597
    9   HD21  LEU 130          HD21      LEU 130 106.735  -9.550  -5.967
   10   HD22  LEU 130          HD22      LEU 130 105.253  -8.603  -6.062
   11   HD23  LEU 130          HD23      LEU 130 106.745  -7.956  -6.670

  No H/Q in entry =          11
  In of MODEL    7
    1    H    ILE 131           H        ILE 131 103.044  -9.494  -5.333
    2    HA   ILE 131           HA       ILE 131 102.815 -12.346  -4.685
    3    HB   ILE 131           HB       ILE 131 101.285 -10.557  -6.591
    4   HD11  ILE 131          HD11      ILE 131 100.260  -9.035  -5.161
    5   HD12  ILE 131          HD12      ILE 131  99.732  -9.468  -3.539
    6   HD13  ILE 131          HD13      ILE 131 101.441  -9.368  -3.894

  No H/Q in entry =           6
  In of MODEL    7
    1    H    SER 132           H        SER 132 103.776 -10.206  -7.393
    2    HA   SER 132           HA       SER 132 105.548 -12.303  -8.364
    3    HB2  SER 132           HB2      SER 132 104.530 -12.733 -10.408
    4    HB3  SER 132           HB3      SER 132 103.124 -12.550  -9.363
    5    HG   SER 132           HG       SER 132 103.960 -11.032 -11.454

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL 133           H        VAL 133 107.040 -11.580  -9.989
    2    HA   VAL 133           HA       VAL 133 107.290  -8.627 -10.212
    3    HB   VAL 133           HB       VAL 133 109.527 -10.618  -9.696

  No H/Q in entry =           3
  In of MODEL    7
    1    H    LYS 134           H        LYS 134 107.897  -7.866 -12.181
    2    HA   LYS 134           HA       LYS 134 108.172  -9.779 -14.379
    3    HB2  LYS 134           HB2      LYS 134 106.599  -7.622 -14.253
    4    HB3  LYS 134           HB3      LYS 134 108.086  -6.853 -14.788
    5    HG2  LYS 134           HG2      LYS 134 107.102  -7.385 -16.838
    6    HG3  LYS 134           HG3      LYS 134 108.153  -8.776 -16.580
    7    HD2  LYS 134           HD2      LYS 134 106.123  -9.865 -15.425
    8    HD3  LYS 134           HD3      LYS 134 105.170  -8.582 -16.165
    9    HE2  LYS 134           HE2      LYS 134 106.992 -10.442 -17.717
   10    HE3  LYS 134           HE3      LYS 134 105.252 -10.672 -17.553
   11    HZ1  LYS 134           HZ1      LYS 134 105.506  -8.070 -18.313
   12    HZ2  LYS 134           HZ2      LYS 134 106.698  -8.861 -19.231
   13    HZ3  LYS 134           HZ3      LYS 134 105.078  -9.363 -19.324

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LYS 135           H        LYS 135 109.409  -7.706 -15.998
    2    HA   LYS 135           HA       LYS 135 111.884  -6.900 -14.924
    3    HB2  LYS 135           HB2      LYS 135 111.823  -9.595 -15.726
    4    HB3  LYS 135           HB3      LYS 135 112.671  -8.769 -17.013
    5    HG2  LYS 135           HG2      LYS 135 113.385  -8.305 -14.124
    6    HG3  LYS 135           HG3      LYS 135 114.043  -9.655 -15.040
    7    HD2  LYS 135           HD2      LYS 135 114.198  -6.903 -16.230
    8    HD3  LYS 135           HD3      LYS 135 115.325  -7.322 -14.948
    9    HE2  LYS 135           HE2      LYS 135 114.933  -8.910 -17.496
   10    HE3  LYS 135           HE3      LYS 135 116.262  -7.794 -17.196
   11    HZ1  LYS 135           HZ1      LYS 135 116.114  -9.510 -15.014
   12    HZ2  LYS 135           HZ2      LYS 135 116.013 -10.482 -16.403
   13    HZ3  LYS 135           HZ3      LYS 135 117.331  -9.435 -16.198

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER 136           H        SER 136 113.009  -5.560 -16.224
    2    HA   SER 136           HA       SER 136 111.550  -4.097 -18.120
    3    HB2  SER 136           HB2      SER 136 113.624  -2.918 -18.552
    4    HB3  SER 136           HB3      SER 136 113.501  -3.250 -16.826
    5    HG   SER 136           HG       SER 136 114.735  -5.158 -18.441

  No H/Q in entry =           5
  In of MODEL    7
    1    H    SER 137           H        SER 137 113.824  -6.768 -18.514
    2    HA   SER 137           HA       SER 137 114.434  -8.003 -20.361
    3    HB2  SER 137           HB2      SER 137 112.318  -8.831 -20.759
    4    HB3  SER 137           HB3      SER 137 111.595  -7.228 -20.834
    5    HG   SER 137           HG       SER 137 111.670  -8.216 -22.887

  No H/Q in entry =           5
  In of MODEL    8
    1    H1   PHE   1           H1       PHE   1  94.619  26.725   3.337
    2    H2   PHE   1           H2       PHE   1  94.109  28.220   2.712
    3    H3   PHE   1           H3       PHE   1  94.346  26.904   1.670
    4    HA   PHE   1           HA       PHE   1  96.349  27.748   1.285
    5    HB2  PHE   1           HB2      PHE   1  95.721  29.355   3.761
    6    HB3  PHE   1           HB3      PHE   1  97.338  29.402   3.066
    7    HD1  PHE   1           HD1      PHE   1  93.792  30.270   2.537
    8    HD2  PHE   1           HD2      PHE   1  97.751  30.363   0.873
    9    HE1  PHE   1           HE1      PHE   1  93.036  31.899   0.824
   10    HE2  PHE   1           HE2      PHE   1  96.996  31.989  -0.839
   11    HZ   PHE   1           HZ       PHE   1  94.638  32.760  -0.862

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ASN   2           H        ASN   2  98.555  28.104   2.902
    2    HA   ASN   2           HA       ASN   2  99.336  25.459   3.449
    3    HB2  ASN   2           HB2      ASN   2 100.635  27.996   4.432
    4    HB3  ASN   2           HB3      ASN   2 101.397  26.413   4.275
    5   HD21  ASN   2          HD21      ASN   2 100.938  25.491   1.832
    6   HD22  ASN   2          HD22      ASN   2 101.322  26.609   0.613

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS   3           H        LYS   3  97.643  27.729   5.374
    2    HA   LYS   3           HA       LYS   3  98.448  27.228   7.950
    3    HB2  LYS   3           HB2      LYS   3  96.544  28.691   6.877
    4    HB3  LYS   3           HB3      LYS   3  95.568  27.325   7.330
    5    HG2  LYS   3           HG2      LYS   3  97.316  28.848   9.238
    6    HG3  LYS   3           HG3      LYS   3  95.613  29.124   9.071
    7    HD2  LYS   3           HD2      LYS   3  96.946  26.574  10.009
    8    HD3  LYS   3           HD3      LYS   3  96.053  27.711  11.004
    9    HE2  LYS   3           HE2      LYS   3  94.194  27.287   9.175
   10    HE3  LYS   3           HE3      LYS   3  95.031  25.747   9.013
   11    HZ1  LYS   3           HZ1      LYS   3  94.811  25.435  11.410
   12    HZ2  LYS   3           HZ2      LYS   3  93.963  26.900  11.535
   13    HZ3  LYS   3           HZ3      LYS   3  93.291  25.604  10.672

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LYS   4           H        LYS   4  96.233  25.294   5.959
    2    HA   LYS   4           HA       LYS   4  95.717  23.353   7.982
    3    HB2  LYS   4           HB2      LYS   4  94.502  23.903   5.675
    4    HB3  LYS   4           HB3      LYS   4  95.531  22.599   5.095
    5    HG2  LYS   4           HG2      LYS   4  93.604  22.442   7.422
    6    HG3  LYS   4           HG3      LYS   4  93.354  21.732   5.828
    7    HD2  LYS   4           HD2      LYS   4  95.568  20.460   6.265
    8    HD3  LYS   4           HD3      LYS   4  95.343  20.957   7.945
    9    HE2  LYS   4           HE2      LYS   4  93.086  19.934   7.950
   10    HE3  LYS   4           HE3      LYS   4  93.362  19.363   6.305
   11    HZ1  LYS   4           HZ1      LYS   4  95.340  18.177   7.155
   12    HZ2  LYS   4           HZ2      LYS   4  94.899  18.620   8.730
   13    HZ3  LYS   4           HZ3      LYS   4  93.880  17.614   7.817

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ALA   5           H        ALA   5  98.072  23.660   5.404
    2    HA   ALA   5           HA       ALA   5  99.186  21.141   5.265
    3    HB1  ALA   5           HB1      ALA   5 101.068  22.164   4.299
    4    HB2  ALA   5           HB2      ALA   5 100.862  23.630   5.235
    5    HB3  ALA   5           HB3      ALA   5  99.748  23.267   3.932

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP   6           H        ASP   6  99.604  23.611   7.658
    2    HA   ASP   6           HA       ASP   6 101.853  22.565   8.974
    3    HB2  ASP   6           HB2      ASP   6  99.587  24.292   9.877
    4    HB3  ASP   6           HB3      ASP   6 100.927  23.862  10.927

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU   7           H        GLU   7  98.381  21.869   9.296
    2    HA   GLU   7           HA       GLU   7  98.605  20.284  11.647
    3    HB2  GLU   7           HB2      GLU   7  96.539  19.811   9.554
    4    HB3  GLU   7           HB3      GLU   7  96.377  19.677  11.299
    5    HG2  GLU   7           HG2      GLU   7  96.673  22.135  11.472
    6    HG3  GLU   7           HG3      GLU   7  96.703  22.223   9.716

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASN   8           H        ASN   8  98.331  19.438   8.258
    2    HA   ASN   8           HA       ASN   8  98.638  16.642   8.507
    3    HB2  ASN   8           HB2      ASN   8  99.399  18.543   6.299
    4    HB3  ASN   8           HB3      ASN   8  99.382  16.805   6.122
    5   HD21  ASN   8          HD21      ASN   8  97.718  18.222   4.467
    6   HD22  ASN   8          HD22      ASN   8  96.106  18.061   4.957

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS   9           H        LYS   9 100.827  19.306   8.366
    2    HA   LYS   9           HA       LYS   9 103.256  17.886   8.025
    3    HB2  LYS   9           HB2      LYS   9 103.464  20.140   7.545
    4    HB3  LYS   9           HB3      LYS   9 102.384  20.587   8.829
    5    HG2  LYS   9           HG2      LYS   9 104.091  20.291  10.491
    6    HG3  LYS   9           HG3      LYS   9 105.187  19.629   9.281
    7    HD2  LYS   9           HD2      LYS   9 105.131  21.816   8.100
    8    HD3  LYS   9           HD3      LYS   9 104.091  22.444   9.368
    9    HE2  LYS   9           HE2      LYS   9 106.216  23.137  10.075
   10    HE3  LYS   9           HE3      LYS   9 105.958  21.665  11.003
   11    HZ1  LYS   9           HZ1      LYS   9 107.368  21.735   8.393
   12    HZ2  LYS   9           HZ2      LYS   9 108.159  21.800   9.892
   13    HZ3  LYS   9           HZ3      LYS   9 107.258  20.425   9.469

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  10           H        VAL  10 101.718  19.220  10.992
    2    HA   VAL  10           HA       VAL  10 103.754  18.193  12.675
    3    HB   VAL  10           HB       VAL  10 100.965  19.123  13.305

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  11           H        LYS  11 100.511  16.966  11.912
    2    HA   LYS  11           HA       LYS  11 100.699  14.696  13.567
    3    HB2  LYS  11           HB2      LYS  11  99.081  15.310  11.132
    4    HB3  LYS  11           HB3      LYS  11  98.995  13.753  11.922
    5    HG2  LYS  11           HG2      LYS  11  97.238  14.921  12.946
    6    HG3  LYS  11           HG3      LYS  11  98.545  15.132  14.101
    7    HD2  LYS  11           HD2      LYS  11  99.076  17.318  12.930
    8    HD3  LYS  11           HD3      LYS  11  97.568  17.118  12.037
    9    HE2  LYS  11           HE2      LYS  11  98.000  17.613  14.965
   10    HE3  LYS  11           HE3      LYS  11  96.880  18.407  13.859
   11    HZ1  LYS  11           HZ1      LYS  11  95.827  16.078  13.697
   12    HZ2  LYS  11           HZ2      LYS  11  96.648  15.770  15.151
   13    HZ3  LYS  11           HZ3      LYS  11  95.508  17.025  15.067

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLY  12           H        GLY  12 101.657  15.459  10.317
    2    HA2  GLY  12           HA2      GLY  12 102.857  14.277   8.725
    3    HA3  GLY  12           HA3      GLY  12 102.519  12.813   9.625

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  13           H        GLU  13 104.254  15.764  10.670
    2    HA   GLU  13           HA       GLU  13 106.845  14.650  10.437
    3    HB2  GLU  13           HB2      GLU  13 105.735  16.857  12.173
    4    HB3  GLU  13           HB3      GLU  13 107.419  16.354  12.292
    5    HG2  GLU  13           HG2      GLU  13 107.768  16.834   9.933
    6    HG3  GLU  13           HG3      GLU  13 106.078  17.274   9.746

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  14           H        ALA  14 104.373  14.504  12.870
    2    HA   ALA  14           HA       ALA  14 105.949  13.247  14.874
    3    HB1  ALA  14           HB1      ALA  14 103.922  14.541  15.416
    4    HB2  ALA  14           HB2      ALA  14 102.946  13.360  14.542
    5    HB3  ALA  14           HB3      ALA  14 103.805  12.885  16.005

  No H/Q in entry =           5
  In of MODEL    8
    1    H    PHE  15           H        PHE  15 103.840  12.260  12.290
    2    HA   PHE  15           HA       PHE  15 103.517   9.538  12.910
    3    HB2  PHE  15           HB2      PHE  15 102.254  10.900  11.258
    4    HB3  PHE  15           HB3      PHE  15 103.662  10.883  10.219
    5    HD1  PHE  15           HD1      PHE  15 104.117   9.068   8.820
    6    HD2  PHE  15           HD2      PHE  15 101.155   8.714  11.900
    7    HE1  PHE  15           HE1      PHE  15 103.307   6.959   7.806
    8    HE2  PHE  15           HE2      PHE  15 100.368   6.582  10.910
    9    HZ   PHE  15           HZ       PHE  15 101.445   5.714   8.858

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LEU  16           H        LEU  16 105.856  11.174  10.804
    2    HA   LEU  16           HA       LEU  16 107.317   8.795  10.218
    3    HB2  LEU  16           HB2      LEU  16 108.003  11.725  10.003
    4    HB3  LEU  16           HB3      LEU  16 109.166  10.474   9.615
    5    HG   LEU  16           HG       LEU  16 107.120   9.546   8.122
    6   HD11  LEU  16          HD11      LEU  16 106.537  12.480   8.515
    7   HD12  LEU  16          HD12      LEU  16 106.141  11.688   6.994
    8   HD13  LEU  16          HD13      LEU  16 105.422  11.116   8.502
    9   HD21  LEU  16          HD21      LEU  16 109.190  11.630   7.501
   10   HD22  LEU  16          HD22      LEU  16 109.157   9.919   7.105
   11   HD23  LEU  16          HD23      LEU  16 108.097  11.035   6.249

  No H/Q in entry =          11
  In of MODEL    8
    1    H    THR  17           H        THR  17 107.562  11.282  12.662
    2    HA   THR  17           HA       THR  17 110.022  10.479  13.772
    3    HB   THR  17           HB       THR  17 107.713  11.693  15.286
    4    HG1  THR  17           HG1      THR  17 109.703  13.339  14.462
    5   HG21  THR  17          HG21      THR  17 110.697  11.684  15.707
    6   HG22  THR  17          HG22      THR  17 109.536  12.610  16.663
    7   HG23  THR  17          HG23      THR  17 109.491  10.850  16.688

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  18           H        GLU  18 106.701   9.509  14.421
    2    HA   GLU  18           HA       GLU  18 107.402   7.728  16.506
    3    HB2  GLU  18           HB2      GLU  18 105.226   8.836  16.443
    4    HB3  GLU  18           HB3      GLU  18 104.845   7.976  14.957
    5    HG2  GLU  18           HG2      GLU  18 104.960   5.843  16.094
    6    HG3  GLU  18           HG3      GLU  18 105.506   6.618  17.578

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASN  19           H        ASN  19 106.489   7.328  13.104
    2    HA   ASN  19           HA       ASN  19 106.379   4.535  12.996
    3    HB2  ASN  19           HB2      ASN  19 105.716   5.433  10.978
    4    HB3  ASN  19           HB3      ASN  19 106.834   6.760  11.126
    5   HD21  ASN  19          HD21      ASN  19 106.243   4.108   9.272
    6   HD22  ASN  19          HD22      ASN  19 107.786   3.868   8.637

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  20           H        LYS  20 109.142   6.614  12.345
    2    HA   LYS  20           HA       LYS  20 110.872   4.551  11.665
    3    HB2  LYS  20           HB2      LYS  20 112.722   6.084  12.157
    4    HB3  LYS  20           HB3      LYS  20 111.445   6.899  11.262
    5    HG2  LYS  20           HG2      LYS  20 110.534   7.626  13.536
    6    HG3  LYS  20           HG3      LYS  20 112.050   7.048  14.217
    7    HD2  LYS  20           HD2      LYS  20 111.871   9.095  11.987
    8    HD3  LYS  20           HD3      LYS  20 112.073   9.503  13.693
    9    HE2  LYS  20           HE2      LYS  20 114.130   7.960  13.649
   10    HE3  LYS  20           HE3      LYS  20 113.984   8.035  11.899
   11    HZ1  LYS  20           HZ1      LYS  20 113.791  10.609  13.109
   12    HZ2  LYS  20           HZ2      LYS  20 115.266   9.846  13.463
   13    HZ3  LYS  20           HZ3      LYS  20 114.795  10.081  11.849

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ASN  21           H        ASN  21 109.819   5.708  14.740
    2    HA   ASN  21           HA       ASN  21 111.804   4.267  16.277
    3    HB2  ASN  21           HB2      ASN  21 109.411   5.950  16.922
    4    HB3  ASN  21           HB3      ASN  21 110.181   4.988  18.175
    5   HD21  ASN  21          HD21      ASN  21 110.394   7.933  16.387
    6   HD22  ASN  21          HD22      ASN  21 111.909   8.429  16.971

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  22           H        LYS  22 108.559   3.714  15.127
    2    HA   LYS  22           HA       LYS  22 107.821   1.744  16.911
    3    HB2  LYS  22           HB2      LYS  22 107.021   2.348  14.116
    4    HB3  LYS  22           HB3      LYS  22 106.320   0.979  14.948
    5    HG2  LYS  22           HG2      LYS  22 106.002   2.987  16.835
    6    HG3  LYS  22           HG3      LYS  22 105.859   3.887  15.336
    7    HD2  LYS  22           HD2      LYS  22 104.268   1.380  15.924
    8    HD3  LYS  22           HD3      LYS  22 103.677   3.011  16.235
    9    HE2  LYS  22           HE2      LYS  22 103.651   3.564  13.943
   10    HE3  LYS  22           HE3      LYS  22 104.718   2.223  13.522
   11    HZ1  LYS  22           HZ1      LYS  22 102.301   1.392  14.826
   12    HZ2  LYS  22           HZ2      LYS  22 102.018   2.188  13.353
   13    HZ3  LYS  22           HZ3      LYS  22 103.016   0.817  13.397

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  23           HA       PRO  23 110.365  -1.804  16.048
    2    HB2  PRO  23           HB2      PRO  23 107.925  -3.504  16.278
    3    HB3  PRO  23           HB3      PRO  23 109.458  -3.600  17.165
    4    HG2  PRO  23           HG2      PRO  23 107.254  -2.646  18.312
    5    HG3  PRO  23           HG3      PRO  23 108.854  -1.959  18.654
    6    HD2  PRO  23           HD2      PRO  23 106.656  -0.845  16.940
    7    HD3  PRO  23           HD3      PRO  23 107.807  -0.017  18.011

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  24           H        GLY  24 110.954  -3.226  14.457
    2    HA2  GLY  24           HA2      GLY  24 109.226  -4.101  12.351
    3    HA3  GLY  24           HA3      GLY  24 110.960  -4.377  12.450

  No H/Q in entry =           3
  In of MODEL    8
    1    H    VAL  25           H        VAL  25 109.817  -1.140  12.744
    2    HA   VAL  25           HA       VAL  25 109.900  -0.575   9.915
    3    HB   VAL  25           HB       VAL  25 109.955   1.340  12.261

  No H/Q in entry =           3
  In of MODEL    8
    1    H    VAL  26           H        VAL  26 111.611   0.062   8.779
    2    HA   VAL  26           HA       VAL  26 114.131   0.793  10.198
    3    HB   VAL  26           HB       VAL  26 113.829  -0.533   7.494

  No H/Q in entry =           3
  In of MODEL    8
    1    H    VAL  27           H        VAL  27 114.593   2.897   9.961
    2    HA   VAL  27           HA       VAL  27 113.295   4.374   7.809
    3    HB   VAL  27           HB       VAL  27 113.084   5.326  10.042

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  28           H        LEU  28 114.249   5.642   6.349
    2    HA   LEU  28           HA       LEU  28 117.109   5.033   5.878
    3    HB2  LEU  28           HB2      LEU  28 114.937   5.703   3.889
    4    HB3  LEU  28           HB3      LEU  28 116.602   5.385   3.473
    5    HG   LEU  28           HG       LEU  28 114.819   3.395   4.886
    6   HD11  LEU  28          HD11      LEU  28 114.073   3.950   2.577
    7   HD12  LEU  28          HD12      LEU  28 115.667   3.526   1.975
    8   HD13  LEU  28          HD13      LEU  28 114.645   2.301   2.711
    9   HD21  LEU  28          HD21      LEU  28 117.608   3.289   3.705
   10   HD22  LEU  28          HD22      LEU  28 117.112   2.873   5.346
   11   HD23  LEU  28          HD23      LEU  28 116.652   1.839   4.001

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   PRO  29           HA       PRO  29 118.177   9.255   6.068
    2    HB2  PRO  29           HB2      PRO  29 119.397   9.203   3.364
    3    HB3  PRO  29           HB3      PRO  29 120.142   9.602   4.921
    4    HG2  PRO  29           HG2      PRO  29 120.658   7.297   3.721
    5    HG3  PRO  29           HG3      PRO  29 120.465   7.376   5.485
    6    HD2  PRO  29           HD2      PRO  29 118.512   6.455   3.413
    7    HD3  PRO  29           HD3      PRO  29 118.893   5.733   4.985

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  30           H        SER  30 116.696   8.185   3.084
    2    HA   SER  30           HA       SER  30 115.927  10.761   2.141
    3    HB2  SER  30           HB2      SER  30 114.419   8.251   1.464
    4    HB3  SER  30           HB3      SER  30 114.791   9.633   0.438
    5    HG   SER  30           HG       SER  30 116.734   8.848   0.073

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  31           H        GLY  31 114.856   8.833   4.685
    2    HA2  GLY  31           HA2      GLY  31 112.518  10.557   5.100
    3    HA3  GLY  31           HA3      GLY  31 113.311   9.568   6.321

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU  32           H        LEU  32 113.101   7.768   3.544
    2    HA   LEU  32           HA       LEU  32 110.373   6.913   3.790
    3    HB2  LEU  32           HB2      LEU  32 111.587   6.856   1.617
    4    HB3  LEU  32           HB3      LEU  32 112.673   5.659   2.267
    5    HG   LEU  32           HG       LEU  32 110.715   4.889   0.749
    6   HD11  LEU  32          HD11      LEU  32 111.349   3.516   3.340
    7   HD12  LEU  32          HD12      LEU  32 110.334   2.815   2.100
    8   HD13  LEU  32          HD13      LEU  32 112.005   3.223   1.742
    9   HD21  LEU  32          HD21      LEU  32 109.035   6.204   2.011
   10   HD22  LEU  32          HD22      LEU  32 108.579   4.532   1.759
   11   HD23  LEU  32          HD23      LEU  32 109.155   5.056   3.326

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLN  33           H        GLN  33 109.617   5.224   4.969
    2    HA   GLN  33           HA       GLN  33 111.572   3.567   6.455
    3    HB2  GLN  33           HB2      GLN  33 108.922   4.676   7.366
    4    HB3  GLN  33           HB3      GLN  33 109.939   3.594   8.279
    5    HG2  GLN  33           HG2      GLN  33 110.958   5.427   9.111
    6    HG3  GLN  33           HG3      GLN  33 111.671   5.618   7.529
    7   HE21  GLN  33          HE21      GLN  33 111.243   7.819   9.138
    8   HE22  GLN  33          HE22      GLN  33 110.058   8.755   8.391

  No H/Q in entry =           8
  In of MODEL    8
    1    H    TYR  34           H        TYR  34 111.163   1.402   6.623
    2    HA   TYR  34           HA       TYR  34 108.601   0.413   5.609
    3    HB2  TYR  34           HB2      TYR  34 109.678  -1.304   4.261
    4    HB3  TYR  34           HB3      TYR  34 110.129   0.300   3.704
    5    HD1  TYR  34           HD1      TYR  34 111.224  -2.545   5.776
    6    HD2  TYR  34           HD2      TYR  34 112.419   1.005   3.710
    7    HE1  TYR  34           HE1      TYR  34 113.603  -3.164   6.117
    8    HE2  TYR  34           HE2      TYR  34 114.803   0.401   4.052
    9    HH   TYR  34           HH       TYR  34 115.820  -1.920   6.230

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS  35           H        LYS  35 107.806  -1.363   6.436
    2    HA   LYS  35           HA       LYS  35 109.331  -2.722   8.558
    3    HB2  LYS  35           HB2      LYS  35 107.468  -1.152   9.299
    4    HB3  LYS  35           HB3      LYS  35 106.355  -2.299   8.649
    5    HG2  LYS  35           HG2      LYS  35 108.061  -3.828  10.159
    6    HG3  LYS  35           HG3      LYS  35 107.962  -2.371  11.079
    7    HD2  LYS  35           HD2      LYS  35 106.293  -4.010  11.850
    8    HD3  LYS  35           HD3      LYS  35 105.546  -2.530  11.253
    9    HE2  LYS  35           HE2      LYS  35 104.686  -3.606   9.403
   10    HE3  LYS  35           HE3      LYS  35 105.972  -4.824   9.391
   11    HZ1  LYS  35           HZ1      LYS  35 104.482  -4.925  11.802
   12    HZ2  LYS  35           HZ2      LYS  35 103.448  -5.072  10.466
   13    HZ3  LYS  35           HZ3      LYS  35 104.750  -6.148  10.654

  No H/Q in entry =          13
  In of MODEL    8
    1    H    VAL  36           H        VAL  36 109.552  -4.753   8.196
    2    HA   VAL  36           HA       VAL  36 108.200  -5.994   5.936
    3    HB   VAL  36           HB       VAL  36 110.510  -6.494   6.169

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ILE  37           H        ILE  37 106.206  -6.802   6.131
    2    HA   ILE  37           HA       ILE  37 105.173  -7.624   8.695
    3    HB   ILE  37           HB       ILE  37 103.850  -8.350   6.085
    4   HD11  ILE  37          HD11      ILE  37 104.048  -5.785   8.522
    5   HD12  ILE  37          HD12      ILE  37 104.897  -4.724   7.412
    6   HD13  ILE  37          HD13      ILE  37 103.171  -4.588   7.625

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASN  38           H        ASN  38 106.216  -9.124   5.735
    2    HA   ASN  38           HA       ASN  38 106.562 -11.682   7.116
    3    HB2  ASN  38           HB2      ASN  38 105.060 -11.265   4.542
    4    HB3  ASN  38           HB3      ASN  38 105.474 -12.822   5.205
    5   HD21  ASN  38          HD21      ASN  38 103.469  -9.937   5.786
    6   HD22  ASN  38          HD22      ASN  38 102.437 -10.667   6.911

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER  39           H        SER  39 108.523 -12.523   6.596
    2    HA   SER  39           HA       SER  39 110.052 -11.267   4.437
    3    HB2  SER  39           HB2      SER  39 111.947 -12.025   5.485
    4    HB3  SER  39           HB3      SER  39 110.870 -11.911   6.876
    5    HG   SER  39           HG       SER  39 110.338 -14.184   6.327

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  40           H        GLY  40 110.346 -12.170   2.522
    2    HA2  GLY  40           HA2      GLY  40 109.332 -13.746   0.938
    3    HA3  GLY  40           HA3      GLY  40 109.622 -15.009   2.127

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASN  41           H        ASN  41 111.834 -12.393   1.432
    2    HA   ASN  41           HA       ASN  41 113.952 -12.342   0.561
    3    HB2  ASN  41           HB2      ASN  41 113.961 -15.234   1.415
    4    HB3  ASN  41           HB3      ASN  41 115.376 -14.227   1.110
    5   HD21  ASN  41          HD21      ASN  41 113.012 -12.242   2.465
    6   HD22  ASN  41          HD22      ASN  41 113.502 -12.341   4.089

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  42           H        GLY  42 111.724 -12.999  -1.222
    2    HA2  GLY  42           HA2      GLY  42 111.281 -14.108  -3.240
    3    HA3  GLY  42           HA3      GLY  42 112.849 -14.890  -3.138

  No H/Q in entry =           3
  In of MODEL    8
    1    H    VAL  43           H        VAL  43 111.849 -13.787  -5.417
    2    HA   VAL  43           HA       VAL  43 113.957 -12.068  -6.224
    3    HB   VAL  43           HB       VAL  43 112.879 -12.046  -8.391

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  44           H        LYS  44 113.109 -10.119  -7.658
    2    HA   LYS  44           HA       LYS  44 110.976  -8.557  -6.929
    3    HB2  LYS  44           HB2      LYS  44 111.718  -6.959  -5.336
    4    HB3  LYS  44           HB3      LYS  44 112.058  -8.512  -4.650
    5    HG2  LYS  44           HG2      LYS  44 114.257  -7.189  -6.208
    6    HG3  LYS  44           HG3      LYS  44 113.860  -6.545  -4.630
    7    HD2  LYS  44           HD2      LYS  44 114.189  -9.516  -4.830
    8    HD3  LYS  44           HD3      LYS  44 115.646  -8.536  -4.940
    9    HE2  LYS  44           HE2      LYS  44 115.337  -7.643  -2.760
   10    HE3  LYS  44           HE3      LYS  44 113.650  -8.123  -2.703
   11    HZ1  LYS  44           HZ1      LYS  44 115.853 -10.081  -2.948
   12    HZ2  LYS  44           HZ2      LYS  44 115.279  -9.551  -1.442
   13    HZ3  LYS  44           HZ3      LYS  44 114.241 -10.368  -2.504

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  45           HA       PRO  45 112.743  -6.405 -10.299
    2    HB2  PRO  45           HB2      PRO  45 111.122  -4.226 -10.413
    3    HB3  PRO  45           HB3      PRO  45 110.573  -5.858 -10.782
    4    HG2  PRO  45           HG2      PRO  45 110.013  -4.165  -8.437
    5    HG3  PRO  45           HG3      PRO  45 109.126  -5.541  -9.086
    6    HD2  PRO  45           HD2      PRO  45 110.918  -5.532  -6.854
    7    HD3  PRO  45           HD3      PRO  45 109.991  -6.901  -7.524

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  46           H        GLY  46 113.859  -4.639 -11.137
    2    HA2  GLY  46           HA2      GLY  46 115.711  -3.186 -10.878
    3    HA3  GLY  46           HA3      GLY  46 115.298  -3.021  -9.170

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  47           H        LYS  47 115.694  -0.778  -9.963
    2    HA   LYS  47           HA       LYS  47 113.476   0.792  -9.837
    3    HB2  LYS  47           HB2      LYS  47 114.851   2.616 -10.631
    4    HB3  LYS  47           HB3      LYS  47 115.814   1.577  -9.586
    5    HG2  LYS  47           HG2      LYS  47 115.814   1.503 -12.634
    6    HG3  LYS  47           HG3      LYS  47 117.090   2.174 -11.618
    7    HD2  LYS  47           HD2      LYS  47 117.201  -0.175 -10.534
    8    HD3  LYS  47           HD3      LYS  47 116.273  -0.711 -11.925
    9    HE2  LYS  47           HE2      LYS  47 118.520  -1.094 -12.404
   10    HE3  LYS  47           HE3      LYS  47 118.038   0.294 -13.384
   11    HZ1  LYS  47           HZ1      LYS  47 119.155   0.776 -10.715
   12    HZ2  LYS  47           HZ2      LYS  47 120.224   0.340 -11.961
   13    HZ3  LYS  47           HZ3      LYS  47 119.258   1.729 -12.114

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  48           H        SER  48 114.709  -0.889 -12.590
    2    HA   SER  48           HA       SER  48 112.848   0.603 -14.369
    3    HB2  SER  48           HB2      SER  48 115.374  -0.943 -14.856
    4    HB3  SER  48           HB3      SER  48 114.272  -0.558 -16.178
    5    HG   SER  48           HG       SER  48 114.884   1.453 -16.067

  No H/Q in entry =           5
  In of MODEL    8
    1    H    ASP  49           H        ASP  49 113.052  -2.393 -12.754
    2    HA   ASP  49           HA       ASP  49 111.666  -3.890 -14.882
    3    HB2  ASP  49           HB2      ASP  49 112.427  -4.604 -12.082
    4    HB3  ASP  49           HB3      ASP  49 111.514  -5.670 -13.116

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR  50           H        THR  50 109.546  -4.999 -14.275
    2    HA   THR  50           HA       THR  50 107.815  -3.020 -12.926
    3    HB   THR  50           HB       THR  50 106.872  -5.113 -14.855
    4    HG1  THR  50           HG1      THR  50 108.224  -2.795 -15.291
    5   HG21  THR  50          HG21      THR  50 105.698  -2.576 -13.761
    6   HG22  THR  50          HG22      THR  50 105.030  -3.460 -15.130
    7   HG23  THR  50          HG23      THR  50 105.114  -4.238 -13.550

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  51           H        VAL  51 106.223  -3.655 -11.519
    2    HA   VAL  51           HA       VAL  51 106.658  -6.323 -10.302
    3    HB   VAL  51           HB       VAL  51 107.629  -4.275  -9.142

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  52           H        THR  52 104.893  -7.103  -8.939
    2    HA   THR  52           HA       THR  52 102.228  -6.003  -9.676
    3    HB   THR  52           HB       THR  52 103.058  -8.905  -9.602
    4    HG1  THR  52           HG1      THR  52 103.498  -7.467 -11.490
    5   HG21  THR  52          HG21      THR  52 100.395  -7.541  -9.807
    6   HG22  THR  52          HG22      THR  52 100.654  -9.149 -10.480
    7   HG23  THR  52          HG23      THR  52 100.883  -8.883  -8.764

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  53           H        VAL  53 101.219  -5.393  -7.801
    2    HA   VAL  53           HA       VAL  53 101.582  -7.057  -5.376
    3    HB   VAL  53           HB       VAL  53 102.241  -5.142  -4.064

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLU  54           H        GLU  54 100.227  -6.359  -3.534
    2    HA   GLU  54           HA       GLU  54  97.744  -4.903  -4.353
    3    HB2  GLU  54           HB2      GLU  54  97.755  -6.899  -2.074
    4    HB3  GLU  54           HB3      GLU  54  96.412  -6.205  -2.955
    5    HG2  GLU  54           HG2      GLU  54  96.538  -7.685  -4.671
    6    HG3  GLU  54           HG3      GLU  54  98.260  -7.888  -4.552

  No H/Q in entry =           6
  In of MODEL    8
    1    H    TYR  55           H        TYR  55  96.927  -3.404  -2.596
    2    HA   TYR  55           HA       TYR  55  98.562  -3.196  -0.228
    3    HB2  TYR  55           HB2      TYR  55  99.379  -0.901  -0.844
    4    HB3  TYR  55           HB3      TYR  55 100.049  -2.189  -1.844
    5    HD1  TYR  55           HD1      TYR  55  97.445   0.453  -1.710
    6    HD2  TYR  55           HD2      TYR  55  99.552  -2.329  -4.188
    7    HE1  TYR  55           HE1      TYR  55  96.413   1.475  -3.707
    8    HE2  TYR  55           HE2      TYR  55  98.529  -1.296  -6.189
    9    HH   TYR  55           HH       TYR  55  95.899   0.828  -6.036

  No H/Q in entry =           9
  In of MODEL    8
    1    H    THR  56           H        THR  56  98.000  -1.447   1.226
    2    HA   THR  56           HA       THR  56  95.395  -0.207   0.705
    3    HB   THR  56           HB       THR  56  96.217  -1.593   3.204
    4    HG1  THR  56           HG1      THR  56  94.263  -1.717   1.323
    5   HG21  THR  56          HG21      THR  56  94.202   0.655   2.986
    6   HG22  THR  56          HG22      THR  56  94.348  -0.424   4.371
    7   HG23  THR  56          HG23      THR  56  95.663   0.671   3.965

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  57           H        GLY  57  95.309   1.937   0.871
    2    HA2  GLY  57           HA2      GLY  57  96.780   3.893   0.642
    3    HA3  GLY  57           HA3      GLY  57  97.746   3.256   1.963

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ARG  58           H        ARG  58  97.576   4.809   3.509
    2    HA   ARG  58           HA       ARG  58  94.992   6.005   4.034
    3    HB2  ARG  58           HB2      ARG  58  94.706   5.311   6.222
    4    HB3  ARG  58           HB3      ARG  58  95.199   3.844   5.391
    5    HG2  ARG  58           HG2      ARG  58  97.417   3.945   6.272
    6    HG3  ARG  58           HG3      ARG  58  97.225   5.595   6.846
    7    HD2  ARG  58           HD2      ARG  58  96.928   4.443   8.821
    8    HD3  ARG  58           HD3      ARG  58  95.267   4.535   8.268
    9    HE   ARG  58           HE       ARG  58  96.491   2.175   7.259
   10   HH11  ARG  58          HH11      ARG  58  95.227   3.660  10.113
   11   HH12  ARG  58          HH12      ARG  58  94.825   2.163  10.885
   12   HH21  ARG  58          HH21      ARG  58  95.977   0.200   8.268
   13   HH22  ARG  58          HH22      ARG  58  95.250   0.204   9.841

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  59           H        LEU  59  95.070   7.623   5.759
    2    HA   LEU  59           HA       LEU  59  97.382   9.355   5.384
    3    HB2  LEU  59           HB2      LEU  59  94.590   9.604   6.254
    4    HB3  LEU  59           HB3      LEU  59  95.666  10.681   7.105
    5    HG   LEU  59           HG       LEU  59  96.531  11.329   4.733
    6   HD11  LEU  59          HD11      LEU  59  93.867  10.087   4.070
    7   HD12  LEU  59          HD12      LEU  59  94.792  11.098   2.998
    8   HD13  LEU  59          HD13      LEU  59  95.417   9.537   3.506
    9   HD21  LEU  59          HD21      LEU  59  95.020  12.695   6.312
   10   HD22  LEU  59          HD22      LEU  59  94.997  13.102   4.606
   11   HD23  LEU  59          HD23      LEU  59  93.688  12.164   5.297

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE  60           H        ILE  60  98.209  10.565   7.242
    2    HA   ILE  60           HA       ILE  60  99.356   8.910   9.213
    3    HB   ILE  60           HB       ILE  60 100.225  10.879  10.182
    4   HD11  ILE  60          HD11      ILE  60  98.661  12.921   7.507
    5   HD12  ILE  60          HD12      ILE  60  97.292  11.976   8.092
    6   HD13  ILE  60          HD13      ILE  60  97.448  13.655   8.561

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ASP  61           H        ASP  61  96.431  10.625   9.019
    2    HA   ASP  61           HA       ASP  61  95.833  10.446  11.872
    3    HB2  ASP  61           HB2      ASP  61  95.379  12.486  10.403
    4    HB3  ASP  61           HB3      ASP  61  94.048  11.551   9.713

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLY  62           H        GLY  62  95.656   8.339   9.382
    2    HA2  GLY  62           HA2      GLY  62  93.513   6.839  10.693
    3    HA3  GLY  62           HA3      GLY  62  94.657   6.228   9.530

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  63           H        THR  63  93.489   9.087   8.261
    2    HA   THR  63           HA       THR  63  90.934   8.212   7.319
    3    HB   THR  63           HB       THR  63  92.630  10.259   5.902
    4    HG1  THR  63           HG1      THR  63  91.258  10.406   8.353
    5   HG21  THR  63          HG21      THR  63  90.380   9.393   5.040
    6   HG22  THR  63          HG22      THR  63  89.681  10.229   6.417
    7   HG23  THR  63          HG23      THR  63  90.561  11.142   5.197

  No H/Q in entry =           7
  In of MODEL    8
    1    H    VAL  64           H        VAL  64  90.860   6.332   6.199
    2    HA   VAL  64           HA       VAL  64  92.897   5.612   4.309
    3    HB   VAL  64           HB       VAL  64  90.187   4.387   4.778

  No H/Q in entry =           3
  In of MODEL    8
    1    H    PHE  65           H        PHE  65  93.143   6.281   2.376
    2    HA   PHE  65           HA       PHE  65  90.795   7.457   0.995
    3    HB2  PHE  65           HB2      PHE  65  92.209   9.017  -0.036
    4    HB3  PHE  65           HB3      PHE  65  92.588   9.023   1.682
    5    HD1  PHE  65           HD1      PHE  65  94.545   7.554   2.456
    6    HD2  PHE  65           HD2      PHE  65  93.951   8.753  -1.610
    7    HE1  PHE  65           HE1      PHE  65  96.952   7.164   2.002
    8    HE2  PHE  65           HE2      PHE  65  96.356   8.383  -2.074
    9    HZ   PHE  65           HZ       PHE  65  97.865   7.578  -0.267

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP  66           H        ASP  66  92.935   4.904   0.960
    2    HA   ASP  66           HA       ASP  66  91.939   4.075  -1.612
    3    HB2  ASP  66           HB2      ASP  66  93.974   5.516  -2.113
    4    HB3  ASP  66           HB3      ASP  66  94.931   4.254  -1.341

  No H/Q in entry =           4
  In of MODEL    8
    1    H    SER  67           H        SER  67  92.277   1.880  -2.075
    2    HA   SER  67           HA       SER  67  93.786   0.260  -0.287
    3    HB2  SER  67           HB2      SER  67  91.990  -1.007   0.678
    4    HB3  SER  67           HB3      SER  67  91.797   0.698   1.076
    5    HG   SER  67           HG       SER  67  89.897   0.470   0.201

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  68           H        THR  68  93.969  -1.934  -0.887
    2    HA   THR  68           HA       THR  68  92.666  -2.819  -3.343
    3    HB   THR  68           HB       THR  68  95.664  -2.440  -3.262
    4    HG1  THR  68           HG1      THR  68  94.897  -0.488  -3.713
    5   HG21  THR  68          HG21      THR  68  93.794  -3.577  -5.336
    6   HG22  THR  68          HG22      THR  68  95.446  -3.085  -5.687
    7   HG23  THR  68          HG23      THR  68  95.146  -4.378  -4.542

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  69           H        GLU  69  95.128  -3.375  -0.865
    2    HA   GLU  69           HA       GLU  69  95.310  -6.169  -1.305
    3    HB2  GLU  69           HB2      GLU  69  96.430  -6.271   0.840
    4    HB3  GLU  69           HB3      GLU  69  97.053  -4.982  -0.174
    5    HG2  GLU  69           HG2      GLU  69  96.854  -3.888   1.840
    6    HG3  GLU  69           HG3      GLU  69  95.358  -3.494   1.022

  No H/Q in entry =           6
  In of MODEL    8
    1    H    LYS  70           H        LYS  70  93.074  -4.148   0.352
    2    HA   LYS  70           HA       LYS  70  91.899  -6.043   2.031
    3    HB2  LYS  70           HB2      LYS  70  90.655  -3.720   0.564
    4    HB3  LYS  70           HB3      LYS  70  89.874  -4.605   1.874
    5    HG2  LYS  70           HG2      LYS  70  92.563  -3.268   2.120
    6    HG3  LYS  70           HG3      LYS  70  91.056  -2.468   2.565
    7    HD2  LYS  70           HD2      LYS  70  90.632  -4.538   4.074
    8    HD3  LYS  70           HD3      LYS  70  92.338  -4.896   3.842
    9    HE2  LYS  70           HE2      LYS  70  93.021  -2.861   4.837
   10    HE3  LYS  70           HE3      LYS  70  91.381  -2.212   4.835
   11    HZ1  LYS  70           HZ1      LYS  70  91.731  -4.754   6.183
   12    HZ2  LYS  70           HZ2      LYS  70  92.487  -3.433   6.929
   13    HZ3  LYS  70           HZ3      LYS  70  90.814  -3.399   6.637

  No H/Q in entry =          13
  In of MODEL    8
    1    H    THR  71           H        THR  71  91.385  -5.177  -1.315
    2    HA   THR  71           HA       THR  71  89.408  -7.208  -1.796
    3    HB   THR  71           HB       THR  71  90.018  -6.625  -4.261
    4    HG1  THR  71           HG1      THR  71  91.016  -4.265  -3.202
    5   HG21  THR  71          HG21      THR  71  88.882  -4.596  -2.320
    6   HG22  THR  71          HG22      THR  71  88.755  -4.458  -4.074
    7   HG23  THR  71          HG23      THR  71  87.988  -5.807  -3.237

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  72           H        GLY  72  92.887  -6.894  -1.972
    2    HA2  GLY  72           HA2      GLY  72  93.183  -9.750  -2.134
    3    HA3  GLY  72           HA3      GLY  72  94.477  -8.575  -1.957

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS  73           H        LYS  73  93.184  -7.141  -4.373
    2    HA   LYS  73           HA       LYS  73  94.048  -9.006  -6.478
    3    HB2  LYS  73           HB2      LYS  73  92.174  -6.698  -6.359
    4    HB3  LYS  73           HB3      LYS  73  92.987  -6.974  -7.895
    5    HG2  LYS  73           HG2      LYS  73  90.996  -8.186  -8.074
    6    HG3  LYS  73           HG3      LYS  73  92.196  -9.412  -7.699
    7    HD2  LYS  73           HD2      LYS  73  91.270  -8.502  -5.168
    8    HD3  LYS  73           HD3      LYS  73  89.822  -8.629  -6.164
    9    HE2  LYS  73           HE2      LYS  73  91.817 -10.774  -5.460
   10    HE3  LYS  73           HE3      LYS  73  90.079 -10.763  -5.168
   11    HZ1  LYS  73           HZ1      LYS  73  90.318 -10.455  -7.870
   12    HZ2  LYS  73           HZ2      LYS  73  91.527 -11.586  -7.491
   13    HZ3  LYS  73           HZ3      LYS  73  89.912 -11.890  -7.062

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  74           HA       PRO  74  97.852  -6.679  -6.471
    2    HB2  PRO  74           HB2      PRO  74  98.481  -8.284  -8.886
    3    HB3  PRO  74           HB3      PRO  74  99.398  -8.072  -7.387
    4    HG2  PRO  74           HG2      PRO  74  98.105 -10.333  -7.903
    5    HG3  PRO  74           HG3      PRO  74  98.189  -9.666  -6.270
    6    HD2  PRO  74           HD2      PRO  74  95.940  -9.567  -8.233
    7    HD3  PRO  74           HD3      PRO  74  95.941  -9.872  -6.488

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  75           H        ALA  75  98.860  -5.115  -7.638
    2    HA   ALA  75           HA       ALA  75  97.544  -4.150 -10.111
    3    HB1  ALA  75           HB1      ALA  75  97.246  -2.815  -7.854
    4    HB2  ALA  75           HB2      ALA  75  97.569  -1.955  -9.356
    5    HB3  ALA  75           HB3      ALA  75  98.877  -2.255  -8.212

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  76           H        THR  76  99.056  -3.153 -11.638
    2    HA   THR  76           HA       THR  76 101.846  -4.014 -11.177
    3    HB   THR  76           HB       THR  76 101.120  -5.151 -13.051
    4    HG1  THR  76           HG1      THR  76 102.152  -4.115 -14.780
    5   HG21  THR  76          HG21      THR  76  99.700  -2.615 -13.905
    6   HG22  THR  76          HG22      THR  76  99.745  -4.111 -14.838
    7   HG23  THR  76          HG23      THR  76  98.936  -4.073 -13.274

  No H/Q in entry =           7
  In of MODEL    8
    1    H    PHE  77           H        PHE  77 103.446  -2.657 -11.099
    2    HA   PHE  77           HA       PHE  77 103.156   0.054 -12.216
    3    HB2  PHE  77           HB2      PHE  77 104.357  -0.527  -9.516
    4    HB3  PHE  77           HB3      PHE  77 104.243   1.033 -10.286
    5    HD1  PHE  77           HD1      PHE  77 102.878  -0.839  -7.798
    6    HD2  PHE  77           HD2      PHE  77 101.645   1.482 -11.185
    7    HE1  PHE  77           HE1      PHE  77 100.635  -0.501  -6.769
    8    HE2  PHE  77           HE2      PHE  77  99.442   1.849 -10.159
    9    HZ   PHE  77           HZ       PHE  77  98.918   0.849  -7.949

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLN  78           H        GLN  78 105.064   0.940 -12.849
    2    HA   GLN  78           HA       GLN  78 107.323  -0.898 -13.081
    3    HB2  GLN  78           HB2      GLN  78 106.710   1.738 -14.395
    4    HB3  GLN  78           HB3      GLN  78 108.299   1.008 -14.468
    5    HG2  GLN  78           HG2      GLN  78 107.207  -1.072 -15.362
    6    HG3  GLN  78           HG3      GLN  78 105.722  -0.159 -15.464
    7   HE21  GLN  78          HE21      GLN  78 108.687   1.503 -16.058
    8   HE22  GLN  78          HE22      GLN  78 108.521   1.662 -17.733

  No H/Q in entry =           8
  In of MODEL    8
    1    H    VAL  79           H        VAL  79 108.943  -0.768 -11.667
    2    HA   VAL  79           HA       VAL  79 108.767   0.802  -9.415
    3    HB   VAL  79           HB       VAL  79 111.373  -0.158 -10.621

  No H/Q in entry =           3
  In of MODEL    8
    1    H    SER  80           H        SER  80 110.099   1.612 -12.596
    2    HA   SER  80           HA       SER  80 111.580   3.866 -11.667
    3    HB2  SER  80           HB2      SER  80 112.417   3.168 -13.690
    4    HB3  SER  80           HB3      SER  80 110.825   2.766 -14.319
    5    HG   SER  80           HG       SER  80 111.254   5.430 -13.710

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLN  81           H        GLN  81 108.282   3.350 -12.577
    2    HA   GLN  81           HA       GLN  81 107.791   6.252 -12.715
    3    HB2  GLN  81           HB2      GLN  81 105.866   4.003 -13.248
    4    HB3  GLN  81           HB3      GLN  81 105.645   5.712 -13.621
    5    HG2  GLN  81           HG2      GLN  81 107.646   3.799 -14.859
    6    HG3  GLN  81           HG3      GLN  81 106.278   4.633 -15.648
    7   HE21  GLN  81          HE21      GLN  81 109.554   4.765 -15.536
    8   HE22  GLN  81          HE22      GLN  81 109.790   6.433 -15.744

  No H/Q in entry =           8
  In of MODEL    8
    1    H    VAL  82           H        VAL  82 107.502   3.619 -10.519
    2    HA   VAL  82           HA       VAL  82 105.186   4.450  -9.162
    3    HB   VAL  82           HB       VAL  82 106.530   2.236  -9.179

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ILE  83           H        ILE  83 105.085   5.148  -6.883
    2    HA   ILE  83           HA       ILE  83 106.098   7.721  -6.684
    3    HB   ILE  83           HB       ILE  83 105.664   6.635  -4.000
    4   HD11  ILE  83          HD11      ILE  83 103.445   5.934  -3.116
    5   HD12  ILE  83          HD12      ILE  83 102.425   6.815  -4.250
    6   HD13  ILE  83          HD13      ILE  83 102.342   5.065  -4.168

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   PRO  84           HA       PRO  84 110.381   7.330  -5.692
    2    HB2  PRO  84           HB2      PRO  84 109.898   9.102  -3.334
    3    HB3  PRO  84           HB3      PRO  84 111.122   9.252  -4.608
    4    HG2  PRO  84           HG2      PRO  84 108.996  10.827  -4.588
    5    HG3  PRO  84           HG3      PRO  84 109.614  10.169  -6.094
    6    HD2  PRO  84           HD2      PRO  84 107.225   9.355  -4.565
    7    HD3  PRO  84           HD3      PRO  84 107.457   9.383  -6.317

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  85           H        GLY  85 108.239   7.353  -2.855
    2    HA2  GLY  85           HA2      GLY  85 108.210   5.990  -1.008
    3    HA3  GLY  85           HA3      GLY  85 109.958   5.995  -1.106

  No H/Q in entry =           3
  In of MODEL    8
    1    H    TRP  86           H        TRP  86 107.441   4.817  -3.232
    2    HA   TRP  86           HA       TRP  86 107.706   2.042  -2.690
    3    HB2  TRP  86           HB2      TRP  86 106.449   3.741  -4.790
    4    HB3  TRP  86           HB3      TRP  86 106.595   2.025  -5.106
    5    HD1  TRP  86           HD1      TRP  86 105.257   4.203  -2.171
    6    HE1  TRP  86           HE1      TRP  86 103.131   3.111  -1.283
    7    HE3  TRP  86           HE3      TRP  86 105.085   0.199  -5.216
    8    HZ2  TRP  86           HZ2      TRP  86 101.547   0.810  -1.842
    9    HZ3  TRP  86           HZ3      TRP  86 103.265  -1.398  -5.045
   10    HH2  TRP  86           HH2      TRP  86 101.463  -1.125  -3.361

  No H/Q in entry =          10
  In of MODEL    8
    1    H    THR  87           H        THR  87 109.269   4.180  -5.045
    2    HA   THR  87           HA       THR  87 110.320   2.382  -6.821
    3    HB   THR  87           HB       THR  87 111.788   4.771  -5.704
    4    HG1  THR  87           HG1      THR  87 109.500   4.979  -6.477
    5   HG21  THR  87          HG21      THR  87 113.003   3.176  -7.284
    6   HG22  THR  87          HG22      THR  87 111.834   3.657  -8.494
    7   HG23  THR  87          HG23      THR  87 112.896   4.846  -7.815

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLU  88           H        GLU  88 111.934   3.528  -3.860
    2    HA   GLU  88           HA       GLU  88 114.097   1.689  -4.116
    3    HB2  GLU  88           HB2      GLU  88 114.242   3.865  -2.926
    4    HB3  GLU  88           HB3      GLU  88 113.217   3.200  -1.655
    5    HG2  GLU  88           HG2      GLU  88 114.863   1.417  -1.239
    6    HG3  GLU  88           HG3      GLU  88 115.885   2.052  -2.530

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ALA  89           H        ALA  89 111.139   1.683  -2.173
    2    HA   ALA  89           HA       ALA  89 111.737  -0.470  -0.512
    3    HB1  ALA  89           HB1      ALA  89 109.105   0.532  -1.574
    4    HB2  ALA  89           HB2      ALA  89 109.855   0.884  -0.018
    5    HB3  ALA  89           HB3      ALA  89 109.242  -0.730  -0.355

  No H/Q in entry =           5
  In of MODEL    8
    1    H    LEU  90           H        LEU  90 110.006  -0.612  -3.668
    2    HA   LEU  90           HA       LEU  90 109.394  -3.350  -3.610
    3    HB2  LEU  90           HB2      LEU  90 110.139  -1.664  -6.014
    4    HB3  LEU  90           HB3      LEU  90 109.285  -3.191  -6.060
    5    HG   LEU  90           HG       LEU  90 108.238  -0.851  -4.474
    6   HD11  LEU  90          HD11      LEU  90 107.785  -1.522  -7.372
    7   HD12  LEU  90          HD12      LEU  90 106.838  -0.356  -6.484
    8   HD13  LEU  90          HD13      LEU  90 108.548  -0.089  -6.744
    9   HD21  LEU  90          HD21      LEU  90 107.058  -3.361  -5.612
   10   HD22  LEU  90          HD22      LEU  90 107.138  -2.894  -3.933
   11   HD23  LEU  90          HD23      LEU  90 106.070  -2.048  -5.046

  No H/Q in entry =          11
  In of MODEL    8
    1    H    GLN  91           H        GLN  91 112.249  -1.643  -4.771
    2    HA   GLN  91           HA       GLN  91 113.615  -3.835  -5.851
    3    HB2  GLN  91           HB2      GLN  91 114.702  -1.294  -4.640
    4    HB3  GLN  91           HB3      GLN  91 115.592  -2.387  -5.695
    5    HG2  GLN  91           HG2      GLN  91 114.004  -2.003  -7.499
    6    HG3  GLN  91           HG3      GLN  91 113.015  -1.002  -6.443
    7   HE21  GLN  91          HE21      GLN  91 113.293   1.119  -7.196
    8   HE22  GLN  91          HE22      GLN  91 114.795   1.834  -7.526

  No H/Q in entry =           8
  In of MODEL    8
    1    H    LEU  92           H        LEU  92 113.117  -2.755  -2.606
    2    HA   LEU  92           HA       LEU  92 115.225  -4.538  -1.556
    3    HB2  LEU  92           HB2      LEU  92 113.505  -2.477  -0.164
    4    HB3  LEU  92           HB3      LEU  92 114.776  -3.431   0.599
    5    HG   LEU  92           HG       LEU  92 115.218  -1.514  -1.699
    6   HD11  LEU  92          HD11      LEU  92 114.535  -0.361   0.320
    7   HD12  LEU  92          HD12      LEU  92 115.779  -1.212   1.233
    8   HD13  LEU  92          HD13      LEU  92 116.234  -0.070  -0.032
    9   HD21  LEU  92          HD21      LEU  92 117.019  -3.257  -0.057
   10   HD22  LEU  92          HD22      LEU  92 116.970  -3.071  -1.809
   11   HD23  LEU  92          HD23      LEU  92 117.621  -1.784  -0.807

  No H/Q in entry =          11
  In of MODEL    8
    1    H    MET  93           H        MET  93 111.884  -4.480  -2.141
    2    HA   MET  93           HA       MET  93 111.218  -6.235   0.085
    3    HB2  MET  93           HB2      MET  93 109.637  -4.519  -0.612
    4    HB3  MET  93           HB3      MET  93 109.539  -5.255  -2.214
    5    HG2  MET  93           HG2      MET  93 108.472  -7.190  -1.391
    6    HG3  MET  93           HG3      MET  93 108.972  -6.872   0.272
    7    HE1  MET  93           HE1      MET  93 107.316  -5.676  -2.738
    8    HE2  MET  93           HE2      MET  93 105.641  -5.864  -2.239
    9    HE3  MET  93           HE3      MET  93 106.392  -4.267  -2.253

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   PRO  94           HA       PRO  94 112.222  -9.746  -2.739
    2    HB2  PRO  94           HB2      PRO  94 111.809 -11.396  -0.345
    3    HB3  PRO  94           HB3      PRO  94 113.244 -11.260  -1.372
    4    HG2  PRO  94           HG2      PRO  94 113.180 -10.259   1.110
    5    HG3  PRO  94           HG3      PRO  94 114.057  -9.451  -0.204
    6    HD2  PRO  94           HD2      PRO  94 111.359  -8.811   0.919
    7    HD3  PRO  94           HD3      PRO  94 112.687  -7.741   0.502

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  95           H        ALA  95 110.991 -11.288  -3.756
    2    HA   ALA  95           HA       ALA  95 108.195 -10.984  -3.571
    3    HB1  ALA  95           HB1      ALA  95 109.839 -13.033  -5.007
    4    HB2  ALA  95           HB2      ALA  95 108.082 -12.903  -5.143
    5    HB3  ALA  95           HB3      ALA  95 109.109 -11.575  -5.681

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  96           H        GLY  96 106.651 -12.011  -2.599
    2    HA2  GLY  96           HA2      GLY  96 107.251 -14.477  -1.107
    3    HA3  GLY  96           HA3      GLY  96 105.651 -13.833  -1.489

  No H/Q in entry =           3
  In of MODEL    8
    1    H    SER  97           H        SER  97 108.017 -11.550  -0.608
    2    HA   SER  97           HA       SER  97 107.346 -11.561   2.229
    3    HB2  SER  97           HB2      SER  97 109.215 -10.211   2.521
    4    HB3  SER  97           HB3      SER  97 109.681 -11.095   1.067
    5    HG   SER  97           HG       SER  97 108.556  -8.501   1.278

  No H/Q in entry =           5
  In of MODEL    8
    1    H    THR  98           H        THR  98 106.001 -10.204   3.182
    2    HA   THR  98           HA       THR  98 104.689  -8.121   1.561
    3    HB   THR  98           HB       THR  98 103.702  -9.490   4.065
    4    HG1  THR  98           HG1      THR  98 103.596 -10.917   2.378
    5   HG21  THR  98          HG21      THR  98 102.471  -7.464   2.179
    6   HG22  THR  98          HG22      THR  98 101.571  -8.388   3.382
    7   HG23  THR  98          HG23      THR  98 102.826  -7.267   3.891

  No H/Q in entry =           7
  In of MODEL    8
    1    H    TRP  99           H        TRP  99 105.440  -6.145   1.952
    2    HA   TRP  99           HA       TRP  99 106.389  -5.504   4.694
    3    HB2  TRP  99           HB2      TRP  99 107.192  -4.351   2.025
    4    HB3  TRP  99           HB3      TRP  99 107.647  -3.639   3.561
    5    HD1  TRP  99           HD1      TRP  99 107.759  -7.362   3.776
    6    HE1  TRP  99           HE1      TRP  99 110.164  -8.191   3.615
    7    HE3  TRP  99           HE3      TRP  99 109.990  -3.040   2.274
    8    HZ2  TRP  99           HZ2      TRP  99 112.756  -7.126   2.944
    9    HZ3  TRP  99           HZ3      TRP  99 112.443  -2.969   1.896
   10    HH2  TRP  99           HH2      TRP  99 113.826  -5.000   2.233

  No H/Q in entry =          10
  In of MODEL    8
    1    H    GLU 100           H        GLU 100 106.261  -3.211   5.209
    2    HA   GLU 100           HA       GLU 100 103.936  -1.799   4.088
    3    HB2  GLU 100           HB2      GLU 100 104.513  -2.491   6.943
    4    HB3  GLU 100           HB3      GLU 100 103.902  -0.871   6.636
    5    HG2  GLU 100           HG2      GLU 100 101.993  -1.811   5.437
    6    HG3  GLU 100           HG3      GLU 100 102.582  -3.440   5.729

  No H/Q in entry =           6
  In of MODEL    8
    1    H    ILE 101           H        ILE 101 104.500   0.265   3.476
    2    HA   ILE 101           HA       ILE 101 106.964   1.340   4.614
    3    HB   ILE 101           HB       ILE 101 107.891   1.928   2.598
    4   HD11  ILE 101          HD11      ILE 101 107.917   2.653   0.337
    5   HD12  ILE 101          HD12      ILE 101 107.229   1.119  -0.187
    6   HD13  ILE 101          HD13      ILE 101 106.464   2.626  -0.651

  No H/Q in entry =           6
  In of MODEL    8
    1    H    TYR 102           H        TYR 102 107.006   3.337   5.199
    2    HA   TYR 102           HA       TYR 102 104.474   4.853   5.026
    3    HB2  TYR 102           HB2      TYR 102 106.775   5.162   6.966
    4    HB3  TYR 102           HB3      TYR 102 105.212   5.925   7.082
    5    HD1  TYR 102           HD1      TYR 102 106.323   2.336   6.510
    6    HD2  TYR 102           HD2      TYR 102 103.973   5.036   8.866
    7    HE1  TYR 102           HE1      TYR 102 105.474   0.450   7.782
    8    HE2  TYR 102           HE2      TYR 102 103.122   3.123  10.179
    9    HH   TYR 102           HH       TYR 102 102.886   0.807  10.109

  No H/Q in entry =           9
  In of MODEL    8
    1    H    VAL 103           H        VAL 103 104.709   6.059   3.255
    2    HA   VAL 103           HA       VAL 103 107.245   7.082   2.474
    3    HB   VAL 103           HB       VAL 103 104.661   7.577   1.088

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO 104           HA       PRO 104 106.648  11.121   4.432
    2    HB2  PRO 104           HB2      PRO 104 108.865  11.754   2.520
    3    HB3  PRO 104           HB3      PRO 104 108.756  12.087   4.258
    4    HG2  PRO 104           HG2      PRO 104 110.307  10.123   3.257
    5    HG3  PRO 104           HG3      PRO 104 109.547  10.002   4.832
    6    HD2  PRO 104           HD2      PRO 104 108.886   8.583   2.345
    7    HD3  PRO 104           HD3      PRO 104 108.532   8.141   4.032

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER 105           H        SER 105 105.578  12.980   3.650
    2    HA   SER 105           HA       SER 105 104.061  12.789   1.363
    3    HB2  SER 105           HB2      SER 105 103.580  15.152   1.604
    4    HB3  SER 105           HB3      SER 105 103.635  14.399   3.194
    5    HG   SER 105           HG       SER 105 104.833  16.397   3.011

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY 106           H        GLY 106 107.294  14.154   1.726
    2    HA2  GLY 106           HA2      GLY 106 108.826  14.872   0.161
    3    HA3  GLY 106           HA3      GLY 106 107.462  15.355  -0.841

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LEU 107           H        LEU 107 107.984  12.102   0.345
    2    HA   LEU 107           HA       LEU 107 108.962  11.208  -2.293
    3    HB2  LEU 107           HB2      LEU 107 108.728   9.674   0.310
    4    HB3  LEU 107           HB3      LEU 107 109.489   9.098  -1.148
    5    HG   LEU 107           HG       LEU 107 110.411  11.397   0.587
    6   HD11  LEU 107          HD11      LEU 107 110.948   9.078   1.330
    7   HD12  LEU 107          HD12      LEU 107 111.765   8.822  -0.203
    8   HD13  LEU 107          HD13      LEU 107 112.381  10.018   0.928
    9   HD21  LEU 107          HD21      LEU 107 111.245  10.561  -2.173
   10   HD22  LEU 107          HD22      LEU 107 110.937  12.182  -1.570
   11   HD23  LEU 107          HD23      LEU 107 112.401  11.327  -1.094

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ALA 108           H        ALA 108 105.996  11.675  -0.915
    2    HA   ALA 108           HA       ALA 108 104.871   9.187  -2.003
    3    HB1  ALA 108           HB1      ALA 108 103.502  11.142  -0.172
    4    HB2  ALA 108           HB2      ALA 108 102.977   9.525  -0.603
    5    HB3  ALA 108           HB3      ALA 108 104.393   9.760   0.389

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR 109           H        TYR 109 102.683  11.778  -1.432
    2    HA   TYR 109           HA       TYR 109 102.245  11.974  -4.319
    3    HB2  TYR 109           HB2      TYR 109 100.439  12.101  -1.946
    4    HB3  TYR 109           HB3      TYR 109  99.951  12.878  -3.447
    5    HD1  TYR 109           HD1      TYR 109 100.384   9.731  -1.762
    6    HD2  TYR 109           HD2      TYR 109 100.020  11.568  -5.604
    7    HE1  TYR 109           HE1      TYR 109  99.989   7.547  -2.758
    8    HE2  TYR 109           HE2      TYR 109  99.665   9.378  -6.627
    9    HH   TYR 109           HH       TYR 109  99.942   6.400  -4.710

  No H/Q in entry =           9
  In of MODEL    8
    1    H    GLY 110           H        GLY 110 103.879  13.760  -2.161
    2    HA2  GLY 110           HA2      GLY 110 103.197  16.251  -3.628
    3    HA3  GLY 110           HA3      GLY 110 104.792  15.837  -3.050

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO 111           HA       PRO 111 104.070  18.193   0.600
    2    HB2  PRO 111           HB2      PRO 111 104.729  20.682  -0.152
    3    HB3  PRO 111           HB3      PRO 111 105.926  19.376  -0.166
    4    HG2  PRO 111           HG2      PRO 111 104.329  20.460  -2.446
    5    HG3  PRO 111           HG3      PRO 111 106.071  20.140  -2.360
    6    HD2  PRO 111           HD2      PRO 111 104.321  18.389  -3.487
    7    HD3  PRO 111           HD3      PRO 111 105.784  17.849  -2.651

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ARG 112           H        ARG 112 102.237  18.897  -2.226
    2    HA   ARG 112           HA       ARG 112 100.338  20.629  -0.761
    3    HB2  ARG 112           HB2      ARG 112 100.783  20.094  -3.699
    4    HB3  ARG 112           HB3      ARG 112  99.377  20.963  -3.090
    5    HG2  ARG 112           HG2      ARG 112 100.854  22.632  -2.036
    6    HG3  ARG 112           HG3      ARG 112 102.270  21.760  -2.632
    7    HD2  ARG 112           HD2      ARG 112 101.551  22.114  -4.943
    8    HD3  ARG 112           HD3      ARG 112 100.084  22.912  -4.386
    9    HE   ARG 112           HE       ARG 112 102.305  24.270  -3.302
   10   HH11  ARG 112          HH11      ARG 112 100.769  23.581  -6.318
   11   HH12  ARG 112          HH12      ARG 112 101.276  25.053  -7.077
   12   HH21  ARG 112          HH21      ARG 112 102.980  26.211  -4.287
   13   HH22  ARG 112          HH22      ARG 112 102.527  26.543  -5.926

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER 113           H        SER 113  97.990  20.234  -1.396
    2    HA   SER 113           HA       SER 113  97.341  17.511  -0.792
    3    HB2  SER 113           HB2      SER 113  95.320  19.501  -1.778
    4    HB3  SER 113           HB3      SER 113  95.155  18.255  -0.545
    5    HG   SER 113           HG       SER 113  96.301  20.799  -0.408

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL 114           H        VAL 114  97.792  16.055  -2.374
    2    HA   VAL 114           HA       VAL 114  96.805  16.668  -5.123
    3    HB   VAL 114           HB       VAL 114  98.854  14.583  -4.409

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLY 115           H        GLY 115  94.728  15.961  -3.790
    2    HA2  GLY 115           HA2      GLY 115  94.414  13.108  -3.475
    3    HA3  GLY 115           HA3      GLY 115  93.656  13.732  -4.935

  No H/Q in entry =           3
  In of MODEL    8
    1    H    GLY 116           H        GLY 116  91.884  12.650  -3.478
    2    HA2  GLY 116           HA2      GLY 116  89.921  12.908  -2.295
    3    HA3  GLY 116           HA3      GLY 116  90.035  14.599  -2.736

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO 117           HA       PRO 117  90.304  14.325   1.911
    2    HB2  PRO 117           HB2      PRO 117  91.199  12.062   3.128
    3    HB3  PRO 117           HB3      PRO 117  89.524  12.261   2.586
    4    HG2  PRO 117           HG2      PRO 117  91.801  10.994   1.137
    5    HG3  PRO 117           HG3      PRO 117  90.189  10.338   1.441
    6    HD2  PRO 117           HD2      PRO 117  90.729  11.395  -0.900
    7    HD3  PRO 117           HD3      PRO 117  89.193  11.805  -0.099

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ILE 118           H        ILE 118  92.973  13.145   0.072
    2    HA   ILE 118           HA       ILE 118  95.031  13.520   1.998
    3    HB   ILE 118           HB       ILE 118  95.316  13.841  -1.005
    4   HD11  ILE 118          HD11      ILE 118  93.631  12.357  -1.389
    5   HD12  ILE 118          HD12      ILE 118  94.525  10.975  -1.997
    6   HD13  ILE 118          HD13      ILE 118  93.515  10.817  -0.568

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY 119           H        GLY 119  95.481  15.391   2.910
    2    HA2  GLY 119           HA2      GLY 119  95.204  17.634   3.345
    3    HA3  GLY 119           HA3      GLY 119  94.660  17.909   1.700

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO 120           HA       PRO 120  98.670  19.604   0.957
    2    HB2  PRO 120           HB2      PRO 120  99.104  21.579   2.817
    3    HB3  PRO 120           HB3      PRO 120  98.055  21.776   1.415
    4    HG2  PRO 120           HG2      PRO 120  97.329  21.191   4.228
    5    HG3  PRO 120           HG3      PRO 120  96.503  22.191   3.051
    6    HD2  PRO 120           HD2      PRO 120  95.690  19.681   3.751
    7    HD3  PRO 120           HD3      PRO 120  95.378  20.376   2.149

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ASN 121           H        ASN 121 100.853  19.259   1.432
    2    HA   ASN 121           HA       ASN 121 102.579  18.092   2.427
    3    HB2  ASN 121           HB2      ASN 121 102.411  20.405   3.579
    4    HB3  ASN 121           HB3      ASN 121 101.748  19.521   4.952
    5   HD21  ASN 121          HD21      ASN 121 103.316  17.156   4.833
    6   HD22  ASN 121          HD22      ASN 121 104.939  17.558   5.124

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLU 122           H        GLU 122 100.498  16.463   2.261
    2    HA   GLU 122           HA       GLU 122 100.037  15.187   4.867
    3    HB2  GLU 122           HB2      GLU 122  98.282  15.863   3.100
    4    HB3  GLU 122           HB3      GLU 122  98.817  14.421   2.288
    5    HG2  GLU 122           HG2      GLU 122  96.925  13.835   3.545
    6    HG3  GLU 122           HG3      GLU 122  98.315  13.159   4.412

  No H/Q in entry =           6
  In of MODEL    8
    1    H    THR 123           H        THR 123 101.008  13.413   5.443
    2    HA   THR 123           HA       THR 123 102.788  12.032   3.554
    3    HB   THR 123           HB       THR 123 102.420  11.825   6.538
    4    HG1  THR 123           HG1      THR 123 103.476  13.685   5.709
    5   HG21  THR 123          HG21      THR 123 103.106   9.650   5.500
    6   HG22  THR 123          HG22      THR 123 104.476  10.476   4.793
    7   HG23  THR 123          HG23      THR 123 104.339  10.335   6.543

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU 124           H        LEU 124 102.328  10.110   2.678
    2    HA   LEU 124           HA       LEU 124  99.881   8.687   3.600
    3    HB2  LEU 124           HB2      LEU 124 101.227   8.633   0.887
    4    HB3  LEU 124           HB3      LEU 124  99.774   7.749   1.320
    5    HG   LEU 124           HG       LEU 124  98.912   9.608   0.182
    6   HD11  LEU 124          HD11      LEU 124  97.970   9.405   2.514
    7   HD12  LEU 124          HD12      LEU 124  99.024  10.744   2.937
    8   HD13  LEU 124          HD13      LEU 124  97.782  10.974   1.733
    9   HD21  LEU 124          HD21      LEU 124 101.127  10.761   0.040
   10   HD22  LEU 124          HD22      LEU 124  99.749  11.833   0.263
   11   HD23  LEU 124          HD23      LEU 124 100.786  11.448   1.616

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE 125           H        ILE 125  99.942   6.462   3.805
    2    HA   ILE 125           HA       ILE 125 102.576   5.118   3.661
    3    HB   ILE 125           HB       ILE 125 102.216   5.315   5.997
    4   HD11  ILE 125          HD11      ILE 125 101.891   3.788   7.741
    5   HD12  ILE 125          HD12      ILE 125 100.690   2.541   7.475
    6   HD13  ILE 125          HD13      ILE 125 102.399   2.157   7.350

  No H/Q in entry =           6
  In of MODEL    8
    1    H    PHE 126           H        PHE 126 102.527   3.051   2.821
    2    HA   PHE 126           HA       PHE 126  99.875   1.960   2.169
    3    HB2  PHE 126           HB2      PHE 126 102.148   1.735   0.226
    4    HB3  PHE 126           HB3      PHE 126 100.409   1.532  -0.054
    5    HD1  PHE 126           HD1      PHE 126  99.074   3.365  -0.740
    6    HD2  PHE 126           HD2      PHE 126 102.986   4.042   0.891
    7    HE1  PHE 126           HE1      PHE 126  98.902   5.775  -1.318
    8    HE2  PHE 126           HE2      PHE 126 102.803   6.443   0.313
    9    HZ   PHE 126           HZ       PHE 126 100.773   7.292  -0.779

  No H/Q in entry =           9
  In of MODEL    8
    1    H    LYS 127           H        LYS 127  99.730  -0.293   2.022
    2    HA   LYS 127           HA       LYS 127 101.943  -1.741   3.253
    3    HB2  LYS 127           HB2      LYS 127  99.477  -3.276   2.844
    4    HB3  LYS 127           HB3      LYS 127 100.384  -3.022   4.315
    5    HG2  LYS 127           HG2      LYS 127  98.447  -1.038   3.143
    6    HG3  LYS 127           HG3      LYS 127  98.072  -2.164   4.438
    7    HD2  LYS 127           HD2      LYS 127  99.798  -1.154   5.865
    8    HD3  LYS 127           HD3      LYS 127 100.215  -0.019   4.595
    9    HE2  LYS 127           HE2      LYS 127  97.932   0.904   4.659
   10    HE3  LYS 127           HE3      LYS 127  97.507  -0.244   5.929
   11    HZ1  LYS 127           HZ1      LYS 127  99.790   0.936   6.831
   12    HZ2  LYS 127           HZ2      LYS 127  98.943   2.222   6.111
   13    HZ3  LYS 127           HZ3      LYS 127  98.213   1.302   7.339

  No H/Q in entry =          13
  In of MODEL    8
    1    H    ILE 128           H        ILE 128 103.191  -2.948   1.933
    2    HA   ILE 128           HA       ILE 128 102.011  -3.521  -0.742
    3    HB   ILE 128           HB       ILE 128 104.972  -3.226  -0.296
    4   HD11  ILE 128          HD11      ILE 128 104.984  -0.656  -2.095
    5   HD12  ILE 128          HD12      ILE 128 104.801   0.524  -0.809
    6   HD13  ILE 128          HD13      ILE 128 105.932  -0.804  -0.610

  No H/Q in entry =           6
  In of MODEL    8
    1    H    HIS 129           H        HIS 129 101.625  -5.450  -1.189
    2    HA   HIS 129           HA       HIS 129 103.175  -7.675  -0.014
    3    HB2  HIS 129           HB2      HIS 129 100.814  -7.802   0.556
    4    HB3  HIS 129           HB3      HIS 129 100.369  -7.548  -1.127
    5    HD2  HIS 129           HD2      HIS 129 103.197 -10.164  -0.133
    6    HE1  HIS 129           HE1      HIS 129  99.919 -12.189  -1.887
    7    HE2  HIS 129           HE2      HIS 129 102.325 -12.428  -1.155

  No H/Q in entry =           7
  In of MODEL    8
    1    H    LEU 130           H        LEU 130 104.474  -8.800  -1.395
    2    HA   LEU 130           HA       LEU 130 104.206  -8.153  -4.240
    3    HB2  LEU 130           HB2      LEU 130 106.428  -8.417  -2.571
    4    HB3  LEU 130           HB3      LEU 130 106.451  -9.846  -3.568
    5    HG   LEU 130           HG       LEU 130 106.225  -7.054  -4.636
    6   HD11  LEU 130          HD11      LEU 130 108.568  -8.951  -4.557
    7   HD12  LEU 130          HD12      LEU 130 108.545  -7.461  -5.483
    8   HD13  LEU 130          HD13      LEU 130 108.456  -7.412  -3.724
    9   HD21  LEU 130          HD21      LEU 130 105.165  -8.794  -6.080
   10   HD22  LEU 130          HD22      LEU 130 106.582  -8.106  -6.809
   11   HD23  LEU 130          HD23      LEU 130 106.686  -9.677  -6.056

  No H/Q in entry =          11
  In of MODEL    8
    1    H    ILE 131           H        ILE 131 102.945  -9.407  -5.437
    2    HA   ILE 131           HA       ILE 131 102.671 -12.255  -4.808
    3    HB   ILE 131           HB       ILE 131 101.207 -10.423  -6.726
    4   HD11  ILE 131          HD11      ILE 131 100.145  -8.910  -5.297
    5   HD12  ILE 131          HD12      ILE 131  99.598  -9.361  -3.686
    6   HD13  ILE 131          HD13      ILE 131 101.317  -9.272  -4.025

  No H/Q in entry =           6
  In of MODEL    8
    1    H    SER 132           H        SER 132 103.653 -10.160  -7.548
    2    HA   SER 132           HA       SER 132 105.403 -12.290  -8.506
    3    HB2  SER 132           HB2      SER 132 104.399 -12.668 -10.571
    4    HB3  SER 132           HB3      SER 132 102.993 -12.503  -9.521
    5    HG   SER 132           HG       SER 132 103.512 -11.122 -11.651

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL 133           H        VAL 133 106.882 -11.568 -10.181
    2    HA   VAL 133           HA       VAL 133 107.204  -8.618 -10.321
    3    HB   VAL 133           HB       VAL 133 109.397 -10.670  -9.853

  No H/Q in entry =           3
  In of MODEL    8
    1    H    LYS 134           H        LYS 134 107.859  -7.804 -12.248
    2    HA   LYS 134           HA       LYS 134 107.998  -9.610 -14.537
    3    HB2  LYS 134           HB2      LYS 134 106.646  -7.343 -14.290
    4    HB3  LYS 134           HB3      LYS 134 108.208  -6.663 -14.740
    5    HG2  LYS 134           HG2      LYS 134 107.274  -6.961 -16.855
    6    HG3  LYS 134           HG3      LYS 134 108.121  -8.496 -16.665
    7    HD2  LYS 134           HD2      LYS 134 105.966  -9.408 -15.665
    8    HD3  LYS 134           HD3      LYS 134 105.181  -7.940 -16.236
    9    HE2  LYS 134           HE2      LYS 134 106.470  -8.693 -18.523
   10    HE3  LYS 134           HE3      LYS 134 106.168 -10.273 -17.797
   11    HZ1  LYS 134           HZ1      LYS 134 104.025  -8.258 -17.934
   12    HZ2  LYS 134           HZ2      LYS 134 104.378  -9.228 -19.282
   13    HZ3  LYS 134           HZ3      LYS 134 103.898  -9.945 -17.818

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LYS 135           H        LYS 135 109.461  -7.576 -16.032
    2    HA   LYS 135           HA       LYS 135 111.954  -6.959 -14.972
    3    HB2  LYS 135           HB2      LYS 135 111.750  -9.698 -15.503
    4    HB3  LYS 135           HB3      LYS 135 112.648  -9.081 -16.869
    5    HG2  LYS 135           HG2      LYS 135 113.384  -8.354 -14.038
    6    HG3  LYS 135           HG3      LYS 135 113.967  -9.821 -14.813
    7    HD2  LYS 135           HD2      LYS 135 114.267  -7.216 -16.273
    8    HD3  LYS 135           HD3      LYS 135 115.371  -7.560 -14.945
    9    HE2  LYS 135           HE2      LYS 135 114.893  -9.415 -17.290
   10    HE3  LYS 135           HE3      LYS 135 116.252  -8.300 -17.163
   11    HZ1  LYS 135           HZ1      LYS 135 115.698 -10.217 -14.996
   12    HZ2  LYS 135           HZ2      LYS 135 116.545 -10.718 -16.376
   13    HZ3  LYS 135           HZ3      LYS 135 117.161  -9.464 -15.412

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER 136           H        SER 136 113.038  -5.626 -16.202
    2    HA   SER 136           HA       SER 136 111.791  -4.802 -18.712
    3    HB2  SER 136           HB2      SER 136 112.342  -2.943 -17.409
    4    HB3  SER 136           HB3      SER 136 113.865  -3.646 -16.875
    5    HG   SER 136           HG       SER 136 114.616  -3.404 -19.031

  No H/Q in entry =           5
  In of MODEL    8
    1    H    SER 137           H        SER 137 115.229  -5.105 -17.819
    2    HA   SER 137           HA       SER 137 115.905  -7.059 -19.737
    3    HB2  SER 137           HB2      SER 137 115.417  -5.583 -21.501
    4    HB3  SER 137           HB3      SER 137 116.050  -4.190 -20.631
    5    HG   SER 137           HG       SER 137 117.371  -6.186 -22.054

  No H/Q in entry =           5
  In of MODEL    9
    1    H1   PHE   1           H1       PHE   1  96.646  29.048   2.671
    2    H2   PHE   1           H2       PHE   1  95.005  29.330   2.338
    3    H3   PHE   1           H3       PHE   1  95.478  28.763   3.867
    4    HA   PHE   1           HA       PHE   1  94.561  26.940   2.647
    5    HB2  PHE   1           HB2      PHE   1  95.628  26.272   0.493
    6    HB3  PHE   1           HB3      PHE   1  94.844  27.849   0.404
    7    HD1  PHE   1           HD1      PHE   1  96.221  29.941   0.566
    8    HD2  PHE   1           HD2      PHE   1  98.000  26.044   0.214
    9    HE1  PHE   1           HE1      PHE   1  98.370  30.980  -0.112
   10    HE2  PHE   1           HE2      PHE   1 100.145  27.088  -0.464
   11    HZ   PHE   1           HZ       PHE   1 100.330  29.552  -0.623

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ASN   2           H        ASN   2  97.929  27.949   2.944
    2    HA   ASN   2           HA       ASN   2  98.975  25.325   3.302
    3    HB2  ASN   2           HB2      ASN   2 100.019  28.086   3.854
    4    HB3  ASN   2           HB3      ASN   2 100.912  26.671   4.410
    5   HD21  ASN   2          HD21      ASN   2 102.023  28.401   2.412
    6   HD22  ASN   2          HD22      ASN   2 102.073  27.555   0.942

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS   3           H        LYS   3  97.373  27.572   5.397
    2    HA   LYS   3           HA       LYS   3  98.291  27.032   7.909
    3    HB2  LYS   3           HB2      LYS   3  96.101  27.608   8.722
    4    HB3  LYS   3           HB3      LYS   3  96.338  28.524   7.234
    5    HG2  LYS   3           HG2      LYS   3  95.141  26.674   6.001
    6    HG3  LYS   3           HG3      LYS   3  94.767  25.949   7.560
    7    HD2  LYS   3           HD2      LYS   3  93.544  27.939   8.233
    8    HD3  LYS   3           HD3      LYS   3  93.897  28.696   6.670
    9    HE2  LYS   3           HE2      LYS   3  92.789  26.834   5.522
   10    HE3  LYS   3           HE3      LYS   3  92.478  26.064   7.078
   11    HZ1  LYS   3           HZ1      LYS   3  91.462  28.742   6.274
   12    HZ2  LYS   3           HZ2      LYS   3  90.556  27.312   6.205
   13    HZ3  LYS   3           HZ3      LYS   3  91.085  27.908   7.706

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LYS   4           H        LYS   4  96.087  25.034   5.982
    2    HA   LYS   4           HA       LYS   4  95.629  23.082   7.972
    3    HB2  LYS   4           HB2      LYS   4  94.424  23.608   5.685
    4    HB3  LYS   4           HB3      LYS   4  95.517  22.382   5.061
    5    HG2  LYS   4           HG2      LYS   4  93.518  22.060   7.313
    6    HG3  LYS   4           HG3      LYS   4  93.437  21.320   5.716
    7    HD2  LYS   4           HD2      LYS   4  95.705  20.233   6.321
    8    HD3  LYS   4           HD3      LYS   4  95.323  20.718   7.975
    9    HE2  LYS   4           HE2      LYS   4  93.071  19.566   7.677
   10    HE3  LYS   4           HE3      LYS   4  93.733  18.859   6.204
   11    HZ1  LYS   4           HZ1      LYS   4  95.166  18.652   8.776
   12    HZ2  LYS   4           HZ2      LYS   4  93.932  17.555   8.375
   13    HZ3  LYS   4           HZ3      LYS   4  95.314  17.677   7.396

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ALA   5           H        ALA   5  98.008  23.498   5.458
    2    HA   ALA   5           HA       ALA   5  99.229  21.033   5.270
    3    HB1  ALA   5           HB1      ALA   5 101.011  22.153   4.260
    4    HB2  ALA   5           HB2      ALA   5 100.861  23.550   5.313
    5    HB3  ALA   5           HB3      ALA   5  99.685  23.288   4.035

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP   6           H        ASP   6  99.540  23.466   7.720
    2    HA   ASP   6           HA       ASP   6 101.827  22.455   9.014
    3    HB2  ASP   6           HB2      ASP   6  99.525  24.156   9.861
    4    HB3  ASP   6           HB3      ASP   6 100.730  23.638  11.032

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU   7           H        GLU   7  98.361  21.692   9.363
    2    HA   GLU   7           HA       GLU   7  98.628  20.030  11.631
    3    HB2  GLU   7           HB2      GLU   7  96.631  19.531   9.477
    4    HB3  GLU   7           HB3      GLU   7  96.455  19.272  11.205
    5    HG2  GLU   7           HG2      GLU   7  96.677  21.764  11.491
    6    HG3  GLU   7           HG3      GLU   7  96.545  21.905   9.738

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASN   8           H        ASN   8  98.437  19.223   8.223
    2    HA   ASN   8           HA       ASN   8  98.869  16.447   8.473
    3    HB2  ASN   8           HB2      ASN   8  99.654  18.276   6.206
    4    HB3  ASN   8           HB3      ASN   8  99.431  16.536   6.107
    5   HD21  ASN   8          HD21      ASN   8  97.848  17.875   4.401
    6   HD22  ASN   8          HD22      ASN   8  96.257  17.980   4.968

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS   9           H        LYS   9 100.944  19.194   8.277
    2    HA   LYS   9           HA       LYS   9 103.412  17.841   7.953
    3    HB2  LYS   9           HB2      LYS   9 103.527  20.098   7.429
    4    HB3  LYS   9           HB3      LYS   9 102.498  20.538   8.760
    5    HG2  LYS   9           HG2      LYS   9 104.237  20.538  10.311
    6    HG3  LYS   9           HG3      LYS   9 105.200  19.457   9.332
    7    HD2  LYS   9           HD2      LYS   9 106.234  21.600   9.199
    8    HD3  LYS   9           HD3      LYS   9 105.482  21.314   7.643
    9    HE2  LYS   9           HE2      LYS   9 103.914  22.771   9.742
   10    HE3  LYS   9           HE3      LYS   9 105.204  23.634   8.917
   11    HZ1  LYS   9           HZ1      LYS   9 103.291  22.065   7.333
   12    HZ2  LYS   9           HZ2      LYS   9 102.841  23.605   7.894
   13    HZ3  LYS   9           HZ3      LYS   9 104.195  23.433   6.885

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  10           H        VAL  10 101.830  19.156  10.926
    2    HA   VAL  10           HA       VAL  10 103.906  18.211  12.608
    3    HB   VAL  10           HB       VAL  10 101.075  18.995  13.254

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  11           H        LYS  11 100.685  16.873  11.914
    2    HA   LYS  11           HA       LYS  11 100.976  14.604  13.557
    3    HB2  LYS  11           HB2      LYS  11  99.276  15.174  11.162
    4    HB3  LYS  11           HB3      LYS  11  99.241  13.621  11.965
    5    HG2  LYS  11           HG2      LYS  11  97.489  14.764  13.023
    6    HG3  LYS  11           HG3      LYS  11  98.821  15.003  14.145
    7    HD2  LYS  11           HD2      LYS  11  99.275  17.199  12.963
    8    HD3  LYS  11           HD3      LYS  11  97.764  16.955  12.089
    9    HE2  LYS  11           HE2      LYS  11  98.207  17.432  15.020
   10    HE3  LYS  11           HE3      LYS  11  97.096  18.252  13.923
   11    HZ1  LYS  11           HZ1      LYS  11  95.838  16.164  13.754
   12    HZ2  LYS  11           HZ2      LYS  11  96.875  15.458  14.899
   13    HZ3  LYS  11           HZ3      LYS  11  95.881  16.762  15.341

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLY  12           H        GLY  12 101.816  15.383  10.279
    2    HA2  GLY  12           HA2      GLY  12 103.050  14.251   8.686
    3    HA3  GLY  12           HA3      GLY  12 102.692  12.770   9.544

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  13           H        GLU  13 104.504  15.692  10.579
    2    HA   GLU  13           HA       GLU  13 107.058  14.502  10.379
    3    HB2  GLU  13           HB2      GLU  13 106.033  16.745  12.128
    4    HB3  GLU  13           HB3      GLU  13 107.716  16.223  12.144
    5    HG2  GLU  13           HG2      GLU  13 107.957  16.710   9.794
    6    HG3  GLU  13           HG3      GLU  13 106.247  17.085   9.654

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  14           H        ALA  14 104.557  14.339  12.761
    2    HA   ALA  14           HA       ALA  14 106.144  13.089  14.771
    3    HB1  ALA  14           HB1      ALA  14 103.171  13.471  14.460
    4    HB2  ALA  14           HB2      ALA  14 104.268  14.397  15.483
    5    HB3  ALA  14           HB3      ALA  14 103.921  12.714  15.863

  No H/Q in entry =           5
  In of MODEL    9
    1    H    PHE  15           H        PHE  15 103.977  12.162  12.220
    2    HA   PHE  15           HA       PHE  15 103.537   9.455  12.843
    3    HB2  PHE  15           HB2      PHE  15 102.339  10.862  11.170
    4    HB3  PHE  15           HB3      PHE  15 103.760  10.802  10.149
    5    HD1  PHE  15           HD1      PHE  15 104.216   8.947   8.783
    6    HD2  PHE  15           HD2      PHE  15 101.095   8.751  11.714
    7    HE1  PHE  15           HE1      PHE  15 103.334   6.887   7.718
    8    HE2  PHE  15           HE2      PHE  15 100.239   6.669  10.675
    9    HZ   PHE  15           HZ       PHE  15 101.359   5.754   8.668

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LEU  16           H        LEU  16 105.982  10.983  10.747
    2    HA   LEU  16           HA       LEU  16 107.344   8.523  10.182
    3    HB2  LEU  16           HB2      LEU  16 108.276  11.399  10.025
    4    HB3  LEU  16           HB3      LEU  16 109.276  10.036   9.568
    5    HG   LEU  16           HG       LEU  16 107.221   9.392   8.038
    6   HD11  LEU  16          HD11      LEU  16 106.769  12.324   8.627
    7   HD12  LEU  16          HD12      LEU  16 106.264  11.615   7.098
    8   HD13  LEU  16          HD13      LEU  16 105.588  11.015   8.615
    9   HD21  LEU  16          HD21      LEU  16 109.330  11.485   7.574
   10   HD22  LEU  16          HD22      LEU  16 109.274   9.812   7.034
   11   HD23  LEU  16          HD23      LEU  16 108.229  11.010   6.282

  No H/Q in entry =          11
  In of MODEL    9
    1    H    THR  17           H        THR  17 107.697  11.054  12.574
    2    HA   THR  17           HA       THR  17 110.092  10.110  13.698
    3    HB   THR  17           HB       THR  17 107.878  11.616  15.071
    4    HG1  THR  17           HG1      THR  17 108.596  13.129  13.818
    5   HG21  THR  17          HG21      THR  17 110.685  10.893  15.847
    6   HG22  THR  17          HG22      THR  17 109.879  12.313  16.506
    7   HG23  THR  17          HG23      THR  17 109.198  10.716  16.782

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  18           H        GLU  18 106.718   9.380  14.370
    2    HA   GLU  18           HA       GLU  18 107.313   7.618  16.504
    3    HB2  GLU  18           HB2      GLU  18 105.194   8.787  16.466
    4    HB3  GLU  18           HB3      GLU  18 104.789   8.022  14.936
    5    HG2  GLU  18           HG2      GLU  18 104.678   5.855  15.931
    6    HG3  GLU  18           HG3      GLU  18 105.402   6.430  17.429

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASN  19           H        ASN  19 106.438   7.212  13.093
    2    HA   ASN  19           HA       ASN  19 106.227   4.411  13.135
    3    HB2  ASN  19           HB2      ASN  19 105.452   5.758  11.255
    4    HB3  ASN  19           HB3      ASN  19 107.116   6.164  10.854
    5   HD21  ASN  19          HD21      ASN  19 107.715   4.948   9.105
    6   HD22  ASN  19          HD22      ASN  19 107.355   3.308   8.876

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  20           H        LYS  20 109.082   6.406  12.410
    2    HA   LYS  20           HA       LYS  20 110.764   4.252  11.739
    3    HB2  LYS  20           HB2      LYS  20 112.648   5.692  12.246
    4    HB3  LYS  20           HB3      LYS  20 111.425   6.616  11.388
    5    HG2  LYS  20           HG2      LYS  20 110.572   7.359  13.649
    6    HG3  LYS  20           HG3      LYS  20 111.990   6.601  14.359
    7    HD2  LYS  20           HD2      LYS  20 112.313   8.625  12.145
    8    HD3  LYS  20           HD3      LYS  20 112.093   9.144  13.807
    9    HE2  LYS  20           HE2      LYS  20 114.188   7.082  13.208
   10    HE3  LYS  20           HE3      LYS  20 114.523   8.787  12.915
   11    HZ1  LYS  20           HZ1      LYS  20 113.376   8.837  15.344
   12    HZ2  LYS  20           HZ2      LYS  20 114.225   7.367  15.406
   13    HZ3  LYS  20           HZ3      LYS  20 115.051   8.815  15.073

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ASN  21           H        ASN  21 109.665   5.523  14.769
    2    HA   ASN  21           HA       ASN  21 111.493   4.013  16.411
    3    HB2  ASN  21           HB2      ASN  21 109.101   5.741  16.954
    4    HB3  ASN  21           HB3      ASN  21 109.847   4.798  18.235
    5   HD21  ASN  21          HD21      ASN  21 112.313   5.572  16.106
    6   HD22  ASN  21          HD22      ASN  21 112.862   6.998  16.846

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  22           H        LYS  22 108.251   3.581  15.163
    2    HA   LYS  22           HA       LYS  22 107.399   1.624  16.892
    3    HB2  LYS  22           HB2      LYS  22 106.761   2.290  14.070
    4    HB3  LYS  22           HB3      LYS  22 106.029   0.870  14.796
    5    HG2  LYS  22           HG2      LYS  22 105.496   2.702  16.746
    6    HG3  LYS  22           HG3      LYS  22 105.552   3.773  15.359
    7    HD2  LYS  22           HD2      LYS  22 103.856   1.265  15.520
    8    HD3  LYS  22           HD3      LYS  22 103.262   2.896  15.829
    9    HE2  LYS  22           HE2      LYS  22 103.769   3.582  13.570
   10    HE3  LYS  22           HE3      LYS  22 104.582   2.051  13.242
   11    HZ1  LYS  22           HZ1      LYS  22 101.731   2.245  14.029
   12    HZ2  LYS  22           HZ2      LYS  22 102.241   2.221  12.412
   13    HZ3  LYS  22           HZ3      LYS  22 102.545   0.885  13.418

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  23           HA       PRO  23 110.019  -1.897  16.110
    2    HB2  PRO  23           HB2      PRO  23 107.607  -3.631  16.354
    3    HB3  PRO  23           HB3      PRO  23 109.138  -3.690  17.251
    4    HG2  PRO  23           HG2      PRO  23 106.901  -2.757  18.366
    5    HG3  PRO  23           HG3      PRO  23 108.491  -2.056  18.725
    6    HD2  PRO  23           HD2      PRO  23 106.299  -0.958  16.995
    7    HD3  PRO  23           HD3      PRO  23 107.451  -0.120  18.056

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  24           H        GLY  24 110.617  -3.327  14.524
    2    HA2  GLY  24           HA2      GLY  24 108.874  -4.173  12.405
    3    HA3  GLY  24           HA3      GLY  24 110.592  -4.519  12.544

  No H/Q in entry =           3
  In of MODEL    9
    1    H    VAL  25           H        VAL  25 109.632  -1.222  12.798
    2    HA   VAL  25           HA       VAL  25 109.836  -0.673   9.960
    3    HB   VAL  25           HB       VAL  25 109.805   1.260  12.288

  No H/Q in entry =           3
  In of MODEL    9
    1    H    VAL  26           H        VAL  26 111.535   0.092   8.881
    2    HA   VAL  26           HA       VAL  26 114.067   0.686  10.326
    3    HB   VAL  26           HB       VAL  26 113.704  -0.673   7.643

  No H/Q in entry =           3
  In of MODEL    9
    1    H    VAL  27           H        VAL  27 114.661   2.761  10.037
    2    HA   VAL  27           HA       VAL  27 113.399   4.269   7.877
    3    HB   VAL  27           HB       VAL  27 113.148   5.211  10.106

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  28           H        LEU  28 114.387   5.534   6.449
    2    HA   LEU  28           HA       LEU  28 117.242   4.901   6.012
    3    HB2  LEU  28           HB2      LEU  28 115.104   5.592   3.992
    4    HB3  LEU  28           HB3      LEU  28 116.763   5.224   3.607
    5    HG   LEU  28           HG       LEU  28 114.897   3.298   4.987
    6   HD11  LEU  28          HD11      LEU  28 114.274   3.914   2.635
    7   HD12  LEU  28          HD12      LEU  28 115.853   3.357   2.113
    8   HD13  LEU  28          HD13      LEU  28 114.705   2.224   2.814
    9   HD21  LEU  28          HD21      LEU  28 117.716   3.120   3.892
   10   HD22  LEU  28          HD22      LEU  28 117.165   2.734   5.521
   11   HD23  LEU  28          HD23      LEU  28 116.721   1.695   4.177

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   PRO  29           HA       PRO  29 118.346   9.136   6.038
    2    HB2  PRO  29           HB2      PRO  29 119.515   8.953   3.313
    3    HB3  PRO  29           HB3      PRO  29 120.293   9.430   4.833
    4    HG2  PRO  29           HG2      PRO  29 120.787   7.071   3.766
    5    HG3  PRO  29           HG3      PRO  29 120.568   7.228   5.523
    6    HD2  PRO  29           HD2      PRO  29 118.617   6.295   3.456
    7    HD3  PRO  29           HD3      PRO  29 118.998   5.571   5.029

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  30           H        SER  30 116.798   8.025   3.079
    2    HA   SER  30           HA       SER  30 116.080  10.601   2.106
    3    HB2  SER  30           HB2      SER  30 114.634   8.013   1.532
    4    HB3  SER  30           HB3      SER  30 114.738   9.444   0.508
    5    HG   SER  30           HG       SER  30 117.151   8.955   0.755

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  31           H        GLY  31 115.054   8.783   4.713
    2    HA2  GLY  31           HA2      GLY  31 112.758  10.535   5.167
    3    HA3  GLY  31           HA3      GLY  31 113.522   9.483   6.351

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU  32           H        LEU  32 113.300   7.669   3.649
    2    HA   LEU  32           HA       LEU  32 110.514   6.934   3.845
    3    HB2  LEU  32           HB2      LEU  32 111.735   6.883   1.668
    4    HB3  LEU  32           HB3      LEU  32 112.768   5.624   2.292
    5    HG   LEU  32           HG       LEU  32 110.763   4.990   0.751
    6   HD11  LEU  32          HD11      LEU  32 112.165   3.365   1.917
    7   HD12  LEU  32          HD12      LEU  32 111.122   3.467   3.323
    8   HD13  LEU  32          HD13      LEU  32 110.493   2.846   1.808
    9   HD21  LEU  32          HD21      LEU  32 109.104   6.262   2.040
   10   HD22  LEU  32          HD22      LEU  32 108.656   4.584   1.830
   11   HD23  LEU  32          HD23      LEU  32 109.263   5.135   3.371

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLN  33           H        GLN  33 109.728   5.256   5.029
    2    HA   GLN  33           HA       GLN  33 111.670   3.524   6.446
    3    HB2  GLN  33           HB2      GLN  33 109.028   4.647   7.385
    4    HB3  GLN  33           HB3      GLN  33 110.002   3.490   8.264
    5    HG2  GLN  33           HG2      GLN  33 111.027   5.285   9.196
    6    HG3  GLN  33           HG3      GLN  33 111.809   5.481   7.650
    7   HE21  GLN  33          HE21      GLN  33 111.456   7.678   9.247
    8   HE22  GLN  33          HE22      GLN  33 110.331   8.693   8.492

  No H/Q in entry =           8
  In of MODEL    9
    1    H    TYR  34           H        TYR  34 111.223   1.363   6.603
    2    HA   TYR  34           HA       TYR  34 108.693   0.392   5.494
    3    HB2  TYR  34           HB2      TYR  34 109.769  -1.329   4.180
    4    HB3  TYR  34           HB3      TYR  34 110.272   0.257   3.626
    5    HD1  TYR  34           HD1      TYR  34 111.275  -2.586   5.783
    6    HD2  TYR  34           HD2      TYR  34 112.567   0.881   3.634
    7    HE1  TYR  34           HE1      TYR  34 113.637  -3.238   6.175
    8    HE2  TYR  34           HE2      TYR  34 114.930   0.235   4.016
    9    HH   TYR  34           HH       TYR  34 115.791  -2.851   5.438

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS  35           H        LYS  35 107.931  -1.454   6.249
    2    HA   LYS  35           HA       LYS  35 109.427  -2.751   8.421
    3    HB2  LYS  35           HB2      LYS  35 107.697  -1.245   9.281
    4    HB3  LYS  35           HB3      LYS  35 106.473  -2.114   8.389
    5    HG2  LYS  35           HG2      LYS  35 108.200  -3.790  10.074
    6    HG3  LYS  35           HG3      LYS  35 107.227  -2.652  10.981
    7    HD2  LYS  35           HD2      LYS  35 105.215  -3.492   9.797
    8    HD3  LYS  35           HD3      LYS  35 106.226  -4.686   8.983
    9    HE2  LYS  35           HE2      LYS  35 105.174  -5.703  10.937
   10    HE3  LYS  35           HE3      LYS  35 106.904  -5.573  11.195
   11    HZ1  LYS  35           HZ1      LYS  35 106.417  -3.426  12.358
   12    HZ2  LYS  35           HZ2      LYS  35 104.774  -3.838  12.294
   13    HZ3  LYS  35           HZ3      LYS  35 105.862  -4.819  13.154

  No H/Q in entry =          13
  In of MODEL    9
    1    H    VAL  36           H        VAL  36 109.488  -4.868   8.295
    2    HA   VAL  36           HA       VAL  36 108.160  -6.111   6.003
    3    HB   VAL  36           HB       VAL  36 110.482  -6.549   6.174

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ILE  37           H        ILE  37 106.154  -6.645   6.325
    2    HA   ILE  37           HA       ILE  37 105.093  -7.571   8.815
    3    HB   ILE  37           HB       ILE  37 103.869  -8.059   6.097
    4   HD11  ILE  37          HD11      ILE  37 104.157  -5.668   8.837
    5   HD12  ILE  37          HD12      ILE  37 104.030  -4.219   7.883
    6   HD13  ILE  37          HD13      ILE  37 102.587  -5.123   8.315

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASN  38           H        ASN  38 106.184  -9.031   5.837
    2    HA   ASN  38           HA       ASN  38 106.525 -11.616   7.174
    3    HB2  ASN  38           HB2      ASN  38 105.033 -11.187   4.600
    4    HB3  ASN  38           HB3      ASN  38 105.523 -12.745   5.197
    5   HD21  ASN  38          HD21      ASN  38 103.377  -9.983   5.901
    6   HD22  ASN  38          HD22      ASN  38 102.368 -10.834   6.965

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER  39           H        SER  39 108.468 -12.445   6.662
    2    HA   SER  39           HA       SER  39 110.053 -11.146   4.573
    3    HB2  SER  39           HB2      SER  39 111.916 -11.977   5.624
    4    HB3  SER  39           HB3      SER  39 110.820 -11.872   6.999
    5    HG   SER  39           HG       SER  39 111.415 -14.143   5.400

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  40           H        GLY  40 110.378 -11.993   2.635
    2    HA2  GLY  40           HA2      GLY  40 109.373 -13.471   0.971
    3    HA3  GLY  40           HA3      GLY  40 109.562 -14.784   2.125

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASN  41           H        ASN  41 111.892 -12.236   1.506
    2    HA   ASN  41           HA       ASN  41 114.044 -12.252   0.725
    3    HB2  ASN  41           HB2      ASN  41 113.934 -15.173   1.452
    4    HB3  ASN  41           HB3      ASN  41 115.382 -14.184   1.288
    5   HD21  ASN  41          HD21      ASN  41 113.044 -12.181   2.636
    6   HD22  ASN  41          HD22      ASN  41 113.399 -12.441   4.279

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  42           H        GLY  42 111.811 -12.858  -1.123
    2    HA2  GLY  42           HA2      GLY  42 111.411 -13.932  -3.168
    3    HA3  GLY  42           HA3      GLY  42 112.974 -14.721  -3.047

  No H/Q in entry =           3
  In of MODEL    9
    1    H    VAL  43           H        VAL  43 112.056 -13.607  -5.331
    2    HA   VAL  43           HA       VAL  43 114.170 -11.858  -6.057
    3    HB   VAL  43           HB       VAL  43 113.146 -11.822  -8.250

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  44           H        LYS  44 113.306  -9.897  -7.504
    2    HA   LYS  44           HA       LYS  44 111.120  -8.404  -6.746
    3    HB2  LYS  44           HB2      LYS  44 111.855  -6.794  -5.159
    4    HB3  LYS  44           HB3      LYS  44 112.212  -8.349  -4.497
    5    HG2  LYS  44           HG2      LYS  44 114.394  -7.012  -6.053
    6    HG3  LYS  44           HG3      LYS  44 114.004  -6.359  -4.476
    7    HD2  LYS  44           HD2      LYS  44 114.332  -9.333  -4.649
    8    HD3  LYS  44           HD3      LYS  44 115.790  -8.360  -4.790
    9    HE2  LYS  44           HE2      LYS  44 115.453  -7.392  -2.621
   10    HE3  LYS  44           HE3      LYS  44 113.808  -7.987  -2.524
   11    HZ1  LYS  44           HZ1      LYS  44 115.729 -10.059  -2.995
   12    HZ2  LYS  44           HZ2      LYS  44 116.015  -9.224  -1.546
   13    HZ3  LYS  44           HZ3      LYS  44 114.513  -9.961  -1.816

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  45           HA       PRO  45 112.654  -6.187 -10.157
    2    HB2  PRO  45           HB2      PRO  45 111.055  -3.950 -10.020
    3    HB3  PRO  45           HB3      PRO  45 110.520  -5.528 -10.553
    4    HG2  PRO  45           HG2      PRO  45 109.835  -4.096  -8.134
    5    HG3  PRO  45           HG3      PRO  45 109.148  -5.572  -8.807
    6    HD2  PRO  45           HD2      PRO  45 111.041  -5.316  -6.627
    7    HD3  PRO  45           HD3      PRO  45 110.127  -6.745  -7.182

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  46           H        GLY  46 113.534  -4.252 -11.110
    2    HA2  GLY  46           HA2      GLY  46 115.514  -2.907 -10.982
    3    HA3  GLY  46           HA3      GLY  46 115.253  -2.750  -9.246

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  47           H        LYS  47 115.643  -0.462 -10.126
    2    HA   LYS  47           HA       LYS  47 113.338   1.011  -9.760
    3    HB2  LYS  47           HB2      LYS  47 114.546   2.951 -10.486
    4    HB3  LYS  47           HB3      LYS  47 115.609   1.949  -9.510
    5    HG2  LYS  47           HG2      LYS  47 115.562   1.736 -12.540
    6    HG3  LYS  47           HG3      LYS  47 116.524   2.949 -11.719
    7    HD2  LYS  47           HD2      LYS  47 118.155   1.431 -11.350
    8    HD3  LYS  47           HD3      LYS  47 117.064   0.439 -10.409
    9    HE2  LYS  47           HE2      LYS  47 118.055  -0.814 -12.250
   10    HE3  LYS  47           HE3      LYS  47 116.316  -0.674 -12.487
   11    HZ1  LYS  47           HZ1      LYS  47 118.389   1.039 -13.751
   12    HZ2  LYS  47           HZ2      LYS  47 117.529  -0.205 -14.524
   13    HZ3  LYS  47           HZ3      LYS  47 116.712   1.181 -13.986

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  48           H        SER  48 114.518  -0.499 -12.602
    2    HA   SER  48           HA       SER  48 112.607   1.041 -14.273
    3    HB2  SER  48           HB2      SER  48 115.066  -0.559 -14.912
    4    HB3  SER  48           HB3      SER  48 113.938  -0.039 -16.163
    5    HG   SER  48           HG       SER  48 114.504   1.985 -14.475

  No H/Q in entry =           5
  In of MODEL    9
    1    H    ASP  49           H        ASP  49 112.799  -1.913 -12.693
    2    HA   ASP  49           HA       ASP  49 111.488  -3.556 -14.703
    3    HB2  ASP  49           HB2      ASP  49 113.054  -4.389 -13.036
    4    HB3  ASP  49           HB3      ASP  49 111.973  -3.962 -11.797

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR  50           H        THR  50 109.476  -4.715 -14.016
    2    HA   THR  50           HA       THR  50 107.549  -2.842 -12.817
    3    HB   THR  50           HB       THR  50 106.880  -4.988 -14.789
    4    HG1  THR  50           HG1      THR  50 107.975  -2.501 -15.151
    5   HG21  THR  50          HG21      THR  50 105.452  -2.576 -13.716
    6   HG22  THR  50          HG22      THR  50 104.927  -3.450 -15.147
    7   HG23  THR  50          HG23      THR  50 104.975  -4.277 -13.590

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  51           H        VAL  51 106.136  -3.544 -11.356
    2    HA   VAL  51           HA       VAL  51 106.689  -6.224 -10.220
    3    HB   VAL  51           HB       VAL  51 107.654  -4.218  -9.029

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  52           H        THR  52 105.001  -7.138  -8.877
    2    HA   THR  52           HA       THR  52 102.264  -6.150  -9.571
    3    HB   THR  52           HB       THR  52 103.232  -9.010  -9.391
    4    HG1  THR  52           HG1      THR  52 102.576  -7.270 -11.490
    5   HG21  THR  52          HG21      THR  52 100.522  -7.756  -9.637
    6   HG22  THR  52          HG22      THR  52 100.840  -9.327 -10.365
    7   HG23  THR  52          HG23      THR  52 101.042  -9.119  -8.637

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  53           H        VAL  53 101.242  -5.525  -7.708
    2    HA   VAL  53           HA       VAL  53 101.663  -7.128  -5.260
    3    HB   VAL  53           HB       VAL  53 102.307  -5.230  -3.951

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLU  54           H        GLU  54 100.306  -6.447  -3.428
    2    HA   GLU  54           HA       GLU  54  97.759  -5.099  -4.248
    3    HB2  GLU  54           HB2      GLU  54  97.736  -7.057  -1.943
    4    HB3  GLU  54           HB3      GLU  54  96.423  -6.471  -2.945
    5    HG2  GLU  54           HG2      GLU  54  96.712  -8.044  -4.545
    6    HG3  GLU  54           HG3      GLU  54  98.445  -8.088  -4.387

  No H/Q in entry =           6
  In of MODEL    9
    1    H    TYR  55           H        TYR  55  96.950  -3.535  -2.589
    2    HA   TYR  55           HA       TYR  55  98.562  -3.261  -0.182
    3    HB2  TYR  55           HB2      TYR  55  99.341  -0.974  -0.883
    4    HB3  TYR  55           HB3      TYR  55 100.013  -2.282  -1.863
    5    HD1  TYR  55           HD1      TYR  55  97.386   0.340  -1.748
    6    HD2  TYR  55           HD2      TYR  55  99.398  -2.552  -4.186
    7    HE1  TYR  55           HE1      TYR  55  96.250   1.244  -3.738
    8    HE2  TYR  55           HE2      TYR  55  98.252  -1.639  -6.183
    9    HH   TYR  55           HH       TYR  55  97.126   0.283  -6.952

  No H/Q in entry =           9
  In of MODEL    9
    1    H    THR  56           H        THR  56  98.013  -1.415   1.181
    2    HA   THR  56           HA       THR  56  95.433  -0.150   0.625
    3    HB   THR  56           HB       THR  56  96.127  -1.593   3.123
    4    HG1  THR  56           HG1      THR  56  93.939  -2.183   2.866
    5   HG21  THR  56          HG21      THR  56  94.131   0.677   2.921
    6   HG22  THR  56          HG22      THR  56  94.339  -0.387   4.310
    7   HG23  THR  56          HG23      THR  56  95.622   0.728   3.859

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  57           H        GLY  57  95.446   1.995   0.719
    2    HA2  GLY  57           HA2      GLY  57  96.981   3.900   0.572
    3    HA3  GLY  57           HA3      GLY  57  97.839   3.254   1.963

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ARG  58           H        ARG  58  97.619   4.811   3.497
    2    HA   ARG  58           HA       ARG  58  95.048   6.123   3.831
    3    HB2  ARG  58           HB2      ARG  58  94.605   5.444   6.006
    4    HB3  ARG  58           HB3      ARG  58  95.124   3.957   5.223
    5    HG2  ARG  58           HG2      ARG  58  97.321   4.094   6.206
    6    HG3  ARG  58           HG3      ARG  58  97.028   5.712   6.827
    7    HD2  ARG  58           HD2      ARG  58  96.677   4.418   8.712
    8    HD3  ARG  58           HD3      ARG  58  95.049   4.590   8.093
    9    HE   ARG  58           HE       ARG  58  96.742   2.184   7.704
   10   HH11  ARG  58          HH11      ARG  58  93.602   3.698   7.885
   11   HH12  ARG  58          HH12      ARG  58  92.744   2.201   7.810
   12   HH21  ARG  58          HH21      ARG  58  95.594   0.251   7.583
   13   HH22  ARG  58          HH22      ARG  58  93.863   0.258   7.649

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  59           H        LEU  59  95.085   7.736   5.571
    2    HA   LEU  59           HA       LEU  59  97.452   9.405   5.326
    3    HB2  LEU  59           HB2      LEU  59  94.645   9.706   6.146
    4    HB3  LEU  59           HB3      LEU  59  95.735  10.746   7.024
    5    HG   LEU  59           HG       LEU  59  96.646  11.413   4.689
    6   HD11  LEU  59          HD11      LEU  59  95.482   9.626   3.444
    7   HD12  LEU  59          HD12      LEU  59  93.946  10.301   3.918
    8   HD13  LEU  59          HD13      LEU  59  95.009  11.221   2.894
    9   HD21  LEU  59          HD21      LEU  59  95.174  12.818   6.224
   10   HD22  LEU  59          HD22      LEU  59  95.088  13.192   4.510
   11   HD23  LEU  59          HD23      LEU  59  93.812  12.270   5.265

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE  60           H        ILE  60  98.293  10.505   7.235
    2    HA   ILE  60           HA       ILE  60  99.270   8.739   9.215
    3    HB   ILE  60           HB       ILE  60 100.236  10.631  10.241
    4   HD11  ILE  60          HD11      ILE  60  98.837  12.792   7.541
    5   HD12  ILE  60          HD12      ILE  60  97.409  11.930   8.112
    6   HD13  ILE  60          HD13      ILE  60  97.666  13.592   8.593

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ASP  61           H        ASP  61  96.475  10.619   8.926
    2    HA   ASP  61           HA       ASP  61  95.733  10.482  11.743
    3    HB2  ASP  61           HB2      ASP  61  95.452  12.525  10.264
    4    HB3  ASP  61           HB3      ASP  61  94.139  11.650   9.470

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLY  62           H        GLY  62  95.576   8.340   9.281
    2    HA2  GLY  62           HA2      GLY  62  93.312   6.957  10.517
    3    HA3  GLY  62           HA3      GLY  62  94.457   6.286   9.381

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  63           H        THR  63  93.481   9.196   8.086
    2    HA   THR  63           HA       THR  63  90.908   8.420   7.050
    3    HB   THR  63           HB       THR  63  92.730  10.449   5.783
    4    HG1  THR  63           HG1      THR  63  91.081  10.658   8.068
    5   HG21  THR  63          HG21      THR  63  90.549   9.688   4.723
    6   HG22  THR  63          HG22      THR  63  89.746  10.459   6.084
    7   HG23  THR  63          HG23      THR  63  90.728  11.423   4.985

  No H/Q in entry =           7
  In of MODEL    9
    1    H    VAL  64           H        VAL  64  90.826   6.580   5.870
    2    HA   VAL  64           HA       VAL  64  92.938   5.822   4.082
    3    HB   VAL  64           HB       VAL  64  90.182   4.654   4.409

  No H/Q in entry =           3
  In of MODEL    9
    1    H    PHE  65           H        PHE  65  93.280   6.367   2.112
    2    HA   PHE  65           HA       PHE  65  91.061   7.668   0.633
    3    HB2  PHE  65           HB2      PHE  65  92.637   9.066  -0.449
    4    HB3  PHE  65           HB3      PHE  65  92.955   9.125   1.277
    5    HD1  PHE  65           HD1      PHE  65  94.812   7.730   2.232
    6    HD2  PHE  65           HD2      PHE  65  94.352   8.408  -1.978
    7    HE1  PHE  65           HE1      PHE  65  97.217   7.213   1.888
    8    HE2  PHE  65           HE2      PHE  65  96.753   7.879  -2.323
    9    HZ   PHE  65           HZ       PHE  65  98.183   7.304  -0.379

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP  66           H        ASP  66  93.085   4.982   0.714
    2    HA   ASP  66           HA       ASP  66  91.961   4.066  -1.764
    3    HB2  ASP  66           HB2      ASP  66  93.917   5.509  -2.444
    4    HB3  ASP  66           HB3      ASP  66  94.961   4.284  -1.730

  No H/Q in entry =           4
  In of MODEL    9
    1    H    SER  67           H        SER  67  92.316   1.863  -2.211
    2    HA   SER  67           HA       SER  67  93.942   0.288  -0.495
    3    HB2  SER  67           HB2      SER  67  92.205  -0.954   0.634
    4    HB3  SER  67           HB3      SER  67  92.054   0.762   1.003
    5    HG   SER  67           HG       SER  67  90.258  -0.851  -0.103

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  68           H        THR  68  94.044  -1.931  -0.991
    2    HA   THR  68           HA       THR  68  92.650  -2.866  -3.386
    3    HB   THR  68           HB       THR  68  95.666  -2.644  -3.279
    4    HG1  THR  68           HG1      THR  68  94.846  -0.675  -3.778
    5   HG21  THR  68          HG21      THR  68  93.767  -3.805  -5.321
    6   HG22  THR  68          HG22      THR  68  95.444  -3.416  -5.676
    7   HG23  THR  68          HG23      THR  68  95.065  -4.630  -4.468

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  69           H        GLU  69  95.179  -3.472  -0.973
    2    HA   GLU  69           HA       GLU  69  95.276  -6.257  -1.244
    3    HB2  GLU  69           HB2      GLU  69  96.254  -6.290   0.982
    4    HB3  GLU  69           HB3      GLU  69  96.977  -5.086  -0.071
    5    HG2  GLU  69           HG2      GLU  69  96.692  -3.961   1.948
    6    HG3  GLU  69           HG3      GLU  69  95.379  -3.432   0.918

  No H/Q in entry =           6
  In of MODEL    9
    1    H    LYS  70           H        LYS  70  92.951  -4.202   0.262
    2    HA   LYS  70           HA       LYS  70  91.742  -5.957   2.045
    3    HB2  LYS  70           HB2      LYS  70  90.439  -3.935   0.233
    4    HB3  LYS  70           HB3      LYS  70  89.686  -4.636   1.654
    5    HG2  LYS  70           HG2      LYS  70  92.307  -3.155   1.730
    6    HG3  LYS  70           HG3      LYS  70  90.771  -2.325   1.935
    7    HD2  LYS  70           HD2      LYS  70  91.944  -4.472   3.742
    8    HD3  LYS  70           HD3      LYS  70  91.696  -2.776   4.124
    9    HE2  LYS  70           HE2      LYS  70  89.832  -3.699   5.140
   10    HE3  LYS  70           HE3      LYS  70  89.163  -3.355   3.546
   11    HZ1  LYS  70           HZ1      LYS  70  90.494  -5.883   3.654
   12    HZ2  LYS  70           HZ2      LYS  70  89.230  -5.788   4.785
   13    HZ3  LYS  70           HZ3      LYS  70  88.922  -5.514   3.135

  No H/Q in entry =          13
  In of MODEL    9
    1    H    THR  71           H        THR  71  91.393  -5.493  -1.398
    2    HA   THR  71           HA       THR  71  89.482  -7.619  -1.753
    3    HB   THR  71           HB       THR  71  89.801  -7.180  -4.141
    4    HG1  THR  71           HG1      THR  71  91.282  -5.230  -4.436
    5   HG21  THR  71          HG21      THR  71  88.317  -5.697  -2.830
    6   HG22  THR  71          HG22      THR  71  89.687  -4.631  -2.519
    7   HG23  THR  71          HG23      THR  71  89.086  -4.832  -4.163

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  72           H        GLY  72  92.945  -7.142  -1.997
    2    HA2  GLY  72           HA2      GLY  72  93.408  -9.991  -1.906
    3    HA3  GLY  72           HA3      GLY  72  94.625  -8.729  -1.785

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS  73           H        LYS  73  93.224  -7.552  -4.308
    2    HA   LYS  73           HA       LYS  73  94.259  -9.473  -6.288
    3    HB2  LYS  73           HB2      LYS  73  92.384  -7.145  -6.430
    4    HB3  LYS  73           HB3      LYS  73  93.160  -7.719  -7.900
    5    HG2  LYS  73           HG2      LYS  73  91.429  -9.174  -8.079
    6    HG3  LYS  73           HG3      LYS  73  92.192 -10.095  -6.794
    7    HD2  LYS  73           HD2      LYS  73  90.859  -8.991  -5.114
    8    HD3  LYS  73           HD3      LYS  73  90.205  -7.863  -6.306
    9    HE2  LYS  73           HE2      LYS  73  88.839 -10.028  -5.589
   10    HE3  LYS  73           HE3      LYS  73  88.818  -9.459  -7.259
   11    HZ1  LYS  73           HZ1      LYS  73  90.697 -10.981  -7.697
   12    HZ2  LYS  73           HZ2      LYS  73  90.521 -11.611  -6.129
   13    HZ3  LYS  73           HZ3      LYS  73  89.265 -11.783  -7.257

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  74           HA       PRO  74  97.934  -6.975  -6.351
    2    HB2  PRO  74           HB2      PRO  74  98.619  -8.606  -8.737
    3    HB3  PRO  74           HB3      PRO  74  99.551  -8.291  -7.264
    4    HG2  PRO  74           HG2      PRO  74  98.389 -10.639  -7.659
    5    HG3  PRO  74           HG3      PRO  74  98.430  -9.893  -6.061
    6    HD2  PRO  74           HD2      PRO  74  96.181 -10.010  -8.020
    7    HD3  PRO  74           HD3      PRO  74  96.199 -10.246  -6.264

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  75           H        ALA  75  98.839  -5.375  -7.538
    2    HA   ALA  75           HA       ALA  75  97.539  -4.566 -10.072
    3    HB1  ALA  75           HB1      ALA  75  97.094  -3.193  -7.823
    4    HB2  ALA  75           HB2      ALA  75  97.306  -2.379  -9.370
    5    HB3  ALA  75           HB3      ALA  75  98.654  -2.485  -8.240

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  76           H        THR  76  99.043  -3.593 -11.601
    2    HA   THR  76           HA       THR  76 101.840  -4.278 -10.995
    3    HB   THR  76           HB       THR  76 101.137  -5.407 -12.921
    4    HG1  THR  76           HG1      THR  76 102.631  -4.680 -14.275
    5   HG21  THR  76          HG21      THR  76  99.989  -2.747 -13.792
    6   HG22  THR  76          HG22      THR  76 100.126  -4.147 -14.855
    7   HG23  THR  76          HG23      THR  76  99.093  -4.221 -13.428

  No H/Q in entry =           7
  In of MODEL    9
    1    H    PHE  77           H        PHE  77 103.463  -2.901 -11.020
    2    HA   PHE  77           HA       PHE  77 103.050  -0.161 -11.981
    3    HB2  PHE  77           HB2      PHE  77 104.183  -0.912  -9.306
    4    HB3  PHE  77           HB3      PHE  77 104.231   0.692  -9.965
    5    HD1  PHE  77           HD1      PHE  77 102.641  -1.080  -7.614
    6    HD2  PHE  77           HD2      PHE  77 101.675   1.277 -11.061
    7    HE1  PHE  77           HE1      PHE  77 100.333  -0.667  -6.707
    8    HE2  PHE  77           HE2      PHE  77  99.425   1.687 -10.182
    9    HZ   PHE  77           HZ       PHE  77  98.732   0.709  -8.013

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLN  78           H        GLN  78 104.839   0.854 -12.596
    2    HA   GLN  78           HA       GLN  78 107.210  -0.804 -12.992
    3    HB2  GLN  78           HB2      GLN  78 106.445   1.856 -14.193
    4    HB3  GLN  78           HB3      GLN  78 108.022   1.118 -14.382
    5    HG2  GLN  78           HG2      GLN  78 106.839  -0.942 -15.250
    6    HG3  GLN  78           HG3      GLN  78 105.386   0.028 -15.326
    7   HE21  GLN  78          HE21      GLN  78 107.932   2.071 -15.847
    8   HE22  GLN  78          HE22      GLN  78 107.991   2.054 -17.540

  No H/Q in entry =           8
  In of MODEL    9
    1    H    VAL  79           H        VAL  79 108.873  -0.614 -11.626
    2    HA   VAL  79           HA       VAL  79 108.596   0.920  -9.332
    3    HB   VAL  79           HB       VAL  79 111.222   0.100 -10.581

  No H/Q in entry =           3
  In of MODEL    9
    1    H    SER  80           H        SER  80 109.918   1.807 -12.509
    2    HA   SER  80           HA       SER  80 111.267   4.142 -11.577
    3    HB2  SER  80           HB2      SER  80 112.120   3.416 -13.607
    4    HB3  SER  80           HB3      SER  80 110.523   3.074 -14.260
    5    HG   SER  80           HG       SER  80 111.989   5.330 -14.387

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLN  81           H        GLN  81 107.999   3.485 -12.522
    2    HA   GLN  81           HA       GLN  81 107.375   6.370 -12.669
    3    HB2  GLN  81           HB2      GLN  81 105.611   3.989 -13.244
    4    HB3  GLN  81           HB3      GLN  81 105.240   5.670 -13.602
    5    HG2  GLN  81           HG2      GLN  81 107.385   3.925 -14.852
    6    HG3  GLN  81           HG3      GLN  81 105.944   4.656 -15.643
    7   HE21  GLN  81          HE21      GLN  81 109.227   5.059 -15.445
    8   HE22  GLN  81          HE22      GLN  81 109.324   6.736 -15.678

  No H/Q in entry =           8
  In of MODEL    9
    1    H    VAL  82           H        VAL  82 107.160   3.698 -10.489
    2    HA   VAL  82           HA       VAL  82 104.733   4.506  -9.279
    3    HB   VAL  82           HB       VAL  82 105.905   2.238  -9.213

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ILE  83           H        ILE  83 104.646   5.075  -6.812
    2    HA   ILE  83           HA       ILE  83 105.603   7.642  -6.563
    3    HB   ILE  83           HB       ILE  83 105.355   6.433  -3.899
    4   HD11  ILE  83          HD11      ILE  83 103.267   5.768  -2.897
    5   HD12  ILE  83          HD12      ILE  83 102.073   6.544  -3.940
    6   HD13  ILE  83          HD13      ILE  83 102.139   4.790  -3.825

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   PRO  84           HA       PRO  84 109.984   7.341  -5.791
    2    HB2  PRO  84           HB2      PRO  84 109.566   9.143  -3.438
    3    HB3  PRO  84           HB3      PRO  84 110.724   9.294  -4.775
    4    HG2  PRO  84           HG2      PRO  84 108.566  10.818  -4.690
    5    HG3  PRO  84           HG3      PRO  84 109.126  10.131  -6.213
    6    HD2  PRO  84           HD2      PRO  84 106.842   9.299  -4.531
    7    HD3  PRO  84           HD3      PRO  84 106.965   9.309  -6.292

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  85           H        GLY  85 108.040   7.349  -2.806
    2    HA2  GLY  85           HA2      GLY  85 108.191   6.002  -0.945
    3    HA3  GLY  85           HA3      GLY  85 109.931   6.062  -1.175

  No H/Q in entry =           3
  In of MODEL    9
    1    H    TRP  86           H        TRP  86 107.301   4.824  -3.129
    2    HA   TRP  86           HA       TRP  86 107.637   2.063  -2.631
    3    HB2  TRP  86           HB2      TRP  86 106.270   3.776  -4.669
    4    HB3  TRP  86           HB3      TRP  86 106.463   2.069  -5.049
    5    HD1  TRP  86           HD1      TRP  86 105.312   4.022  -1.868
    6    HE1  TRP  86           HE1      TRP  86 103.201   2.874  -0.985
    7    HE3  TRP  86           HE3      TRP  86 104.846   0.317  -5.305
    8    HZ2  TRP  86           HZ2      TRP  86 101.537   0.671  -1.671
    9    HZ3  TRP  86           HZ3      TRP  86 102.982  -1.264  -5.166
   10    HH2  TRP  86           HH2      TRP  86 101.313  -1.102  -3.358

  No H/Q in entry =          10
  In of MODEL    9
    1    H    THR  87           H        THR  87 109.083   4.265  -4.975
    2    HA   THR  87           HA       THR  87 110.150   2.525  -6.799
    3    HB   THR  87           HB       THR  87 111.567   4.928  -5.668
    4    HG1  THR  87           HG1      THR  87 109.292   5.180  -6.313
    5   HG21  THR  87          HG21      THR  87 112.778   3.410  -7.305
    6   HG22  THR  87          HG22      THR  87 111.558   3.880  -8.473
    7   HG23  THR  87          HG23      THR  87 112.595   5.088  -7.793

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLU  88           H        GLU  88 111.720   3.687  -3.844
    2    HA   GLU  88           HA       GLU  88 113.981   1.967  -4.074
    3    HB2  GLU  88           HB2      GLU  88 114.005   4.141  -2.916
    4    HB3  GLU  88           HB3      GLU  88 112.948   3.477  -1.670
    5    HG2  GLU  88           HG2      GLU  88 114.658   1.771  -1.145
    6    HG3  GLU  88           HG3      GLU  88 115.716   2.450  -2.378

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ALA  89           H        ALA  89 111.067   1.842  -2.041
    2    HA   ALA  89           HA       ALA  89 111.759  -0.321  -0.441
    3    HB1  ALA  89           HB1      ALA  89 109.082   0.671  -1.373
    4    HB2  ALA  89           HB2      ALA  89 109.898   1.001   0.153
    5    HB3  ALA  89           HB3      ALA  89 109.278  -0.610  -0.181

  No H/Q in entry =           5
  In of MODEL    9
    1    H    LEU  90           H        LEU  90 109.940  -0.477  -3.552
    2    HA   LEU  90           HA       LEU  90 109.349  -3.225  -3.465
    3    HB2  LEU  90           HB2      LEU  90 110.067  -1.546  -5.879
    4    HB3  LEU  90           HB3      LEU  90 109.226  -3.085  -5.916
    5    HG   LEU  90           HG       LEU  90 108.149  -0.780  -4.298
    6   HD11  LEU  90          HD11      LEU  90 107.780  -1.308  -7.233
    7   HD12  LEU  90          HD12      LEU  90 106.754  -0.236  -6.311
    8   HD13  LEU  90          HD13      LEU  90 108.465   0.119  -6.490
    9   HD21  LEU  90          HD21      LEU  90 107.032  -3.304  -5.485
   10   HD22  LEU  90          HD22      LEU  90 107.004  -2.776  -3.817
   11   HD23  LEU  90          HD23      LEU  90 105.985  -1.989  -5.019

  No H/Q in entry =          11
  In of MODEL    9
    1    H    GLN  91           H        GLN  91 112.155  -1.486  -4.693
    2    HA   GLN  91           HA       GLN  91 113.575  -3.649  -5.753
    3    HB2  GLN  91           HB2      GLN  91 114.581  -1.052  -4.595
    4    HB3  GLN  91           HB3      GLN  91 115.512  -2.140  -5.619
    5    HG2  GLN  91           HG2      GLN  91 113.933  -1.839  -7.448
    6    HG3  GLN  91           HG3      GLN  91 112.903  -0.832  -6.428
    7   HE21  GLN  91          HE21      GLN  91 113.152   1.267  -7.251
    8   HE22  GLN  91          HE22      GLN  91 114.648   2.009  -7.555

  No H/Q in entry =           8
  In of MODEL    9
    1    H    LEU  92           H        LEU  92 112.988  -2.632  -2.522
    2    HA   LEU  92           HA       LEU  92 115.204  -4.301  -1.483
    3    HB2  LEU  92           HB2      LEU  92 113.511  -2.212  -0.105
    4    HB3  LEU  92           HB3      LEU  92 114.790  -3.153   0.660
    5    HG   LEU  92           HG       LEU  92 115.182  -1.298  -1.691
    6   HD11  LEU  92          HD11      LEU  92 115.761  -0.961   1.234
    7   HD12  LEU  92          HD12      LEU  92 116.327   0.120  -0.042
    8   HD13  LEU  92          HD13      LEU  92 114.602  -0.057   0.264
    9   HD21  LEU  92          HD21      LEU  92 117.000  -3.083  -0.124
   10   HD22  LEU  92          HD22      LEU  92 116.921  -2.831  -1.867
   11   HD23  LEU  92          HD23      LEU  92 117.622  -1.598  -0.835

  No H/Q in entry =          11
  In of MODEL    9
    1    H    MET  93           H        MET  93 111.879  -4.349  -2.020
    2    HA   MET  93           HA       MET  93 111.291  -6.079   0.258
    3    HB2  MET  93           HB2      MET  93 109.665  -4.393  -0.377
    4    HB3  MET  93           HB3      MET  93 109.559  -5.079  -1.999
    5    HG2  MET  93           HG2      MET  93 108.601  -7.101  -1.176
    6    HG3  MET  93           HG3      MET  93 108.991  -6.687   0.494
    7    HE1  MET  93           HE1      MET  93 107.414  -5.773  -2.653
    8    HE2  MET  93           HE2      MET  93 105.731  -6.030  -2.183
    9    HE3  MET  93           HE3      MET  93 106.377  -4.401  -2.315

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   PRO  94           HA       PRO  94 112.334  -9.564  -2.585
    2    HB2  PRO  94           HB2      PRO  94 111.893 -11.193  -0.173
    3    HB3  PRO  94           HB3      PRO  94 113.308 -11.126  -1.238
    4    HG2  PRO  94           HG2      PRO  94 113.375 -10.084   1.206
    5    HG3  PRO  94           HG3      PRO  94 114.182  -9.284  -0.157
    6    HD2  PRO  94           HD2      PRO  94 111.537  -8.636   1.092
    7    HD3  PRO  94           HD3      PRO  94 112.846  -7.563   0.610

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  95           H        ALA  95 111.144 -11.092  -3.644
    2    HA   ALA  95           HA       ALA  95 108.357 -10.807  -3.604
    3    HB1  ALA  95           HB1      ALA  95 110.073 -12.899  -4.880
    4    HB2  ALA  95           HB2      ALA  95 108.319 -12.796  -5.096
    5    HB3  ALA  95           HB3      ALA  95 109.349 -11.473  -5.630

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  96           H        GLY  96 106.760 -11.722  -2.621
    2    HA2  GLY  96           HA2      GLY  96 107.176 -14.210  -1.114
    3    HA3  GLY  96           HA3      GLY  96 105.630 -13.455  -1.512

  No H/Q in entry =           3
  In of MODEL    9
    1    H    SER  97           H        SER  97 108.146 -11.353  -0.519
    2    HA   SER  97           HA       SER  97 107.438 -11.423   2.298
    3    HB2  SER  97           HB2      SER  97 109.273 -10.022   2.637
    4    HB3  SER  97           HB3      SER  97 109.773 -10.911   1.195
    5    HG   SER  97           HG       SER  97 108.553  -9.055   0.114

  No H/Q in entry =           5
  In of MODEL    9
    1    H    THR  98           H        THR  98 106.031 -10.132   3.279
    2    HA   THR  98           HA       THR  98 104.692  -8.049   1.680
    3    HB   THR  98           HB       THR  98 103.728  -9.379   4.217
    4    HG1  THR  98           HG1      THR  98 103.419 -10.909   2.751
    5   HG21  THR  98          HG21      THR  98 102.523  -7.400   2.267
    6   HG22  THR  98          HG22      THR  98 101.584  -8.319   3.448
    7   HG23  THR  98          HG23      THR  98 102.822  -7.190   3.991

  No H/Q in entry =           7
  In of MODEL    9
    1    H    TRP  99           H        TRP  99 105.457  -6.079   2.036
    2    HA   TRP  99           HA       TRP  99 106.371  -5.399   4.774
    3    HB2  TRP  99           HB2      TRP  99 107.211  -4.272   2.098
    4    HB3  TRP  99           HB3      TRP  99 107.658  -3.564   3.638
    5    HD1  TRP  99           HD1      TRP  99 107.768  -7.314   3.810
    6    HE1  TRP  99           HE1      TRP  99 110.181  -8.129   3.693
    7    HE3  TRP  99           HE3      TRP  99 110.015  -2.960   2.427
    8    HZ2  TRP  99           HZ2      TRP  99 112.779  -7.043   3.107
    9    HZ3  TRP  99           HZ3      TRP  99 112.474  -2.873   2.113
   10    HH2  TRP  99           HH2      TRP  99 113.859  -4.904   2.451

  No H/Q in entry =          10
  In of MODEL    9
    1    H    GLU 100           H        GLU 100 106.209  -3.160   5.311
    2    HA   GLU 100           HA       GLU 100 103.927  -1.708   4.148
    3    HB2  GLU 100           HB2      GLU 100 104.573  -2.158   7.060
    4    HB3  GLU 100           HB3      GLU 100 103.658  -0.749   6.543
    5    HG2  GLU 100           HG2      GLU 100 101.973  -2.161   5.536
    6    HG3  GLU 100           HG3      GLU 100 102.895  -3.601   5.909

  No H/Q in entry =           6
  In of MODEL    9
    1    H    ILE 101           H        ILE 101 104.487   0.395   3.627
    2    HA   ILE 101           HA       ILE 101 106.978   1.389   4.766
    3    HB   ILE 101           HB       ILE 101 107.910   1.999   2.758
    4   HD11  ILE 101          HD11      ILE 101 107.965   2.683   0.517
    5   HD12  ILE 101          HD12      ILE 101 107.265   1.158  -0.010
    6   HD13  ILE 101          HD13      ILE 101 106.532   2.670  -0.487

  No H/Q in entry =           6
  In of MODEL    9
    1    H    TYR 102           H        TYR 102 107.093   3.408   5.304
    2    HA   TYR 102           HA       TYR 102 104.588   4.969   5.181
    3    HB2  TYR 102           HB2      TYR 102 106.896   5.201   7.128
    4    HB3  TYR 102           HB3      TYR 102 105.355   6.006   7.250
    5    HD1  TYR 102           HD1      TYR 102 106.382   2.405   6.641
    6    HD2  TYR 102           HD2      TYR 102 104.058   5.112   9.008
    7    HE1  TYR 102           HE1      TYR 102 105.446   0.512   7.840
    8    HE2  TYR 102           HE2      TYR 102 103.120   3.196  10.253
    9    HH   TYR 102           HH       TYR 102 104.137   0.579  10.660

  No H/Q in entry =           9
  In of MODEL    9
    1    H    VAL 103           H        VAL 103 104.815   6.139   3.428
    2    HA   VAL 103           HA       VAL 103 107.333   7.129   2.564
    3    HB   VAL 103           HB       VAL 103 104.707   7.611   1.270

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO 104           HA       PRO 104 106.855  11.223   4.447
    2    HB2  PRO 104           HB2      PRO 104 108.994  11.772   2.425
    3    HB3  PRO 104           HB3      PRO 104 108.964  12.168   4.154
    4    HG2  PRO 104           HG2      PRO 104 110.454  10.155   3.172
    5    HG3  PRO 104           HG3      PRO 104 109.735  10.086   4.773
    6    HD2  PRO 104           HD2      PRO 104 108.982   8.627   2.326
    7    HD3  PRO 104           HD3      PRO 104 108.695   8.207   4.029

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER 105           H        SER 105 105.741  13.042   3.676
    2    HA   SER 105           HA       SER 105 104.125  12.821   1.478
    3    HB2  SER 105           HB2      SER 105 103.566  15.114   1.763
    4    HB3  SER 105           HB3      SER 105 103.964  14.508   3.367
    5    HG   SER 105           HG       SER 105 105.186  16.273   3.247

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY 106           H        GLY 106 107.386  14.168   1.614
    2    HA2  GLY 106           HA2      GLY 106 108.821  14.857  -0.061
    3    HA3  GLY 106           HA3      GLY 106 107.399  15.279  -1.006

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LEU 107           H        LEU 107 108.019  12.079   0.278
    2    HA   LEU 107           HA       LEU 107 108.892  11.104  -2.368
    3    HB2  LEU 107           HB2      LEU 107 108.793   9.656   0.291
    4    HB3  LEU 107           HB3      LEU 107 109.513   9.038  -1.176
    5    HG   LEU 107           HG       LEU 107 110.447  11.404   0.452
    6   HD11  LEU 107          HD11      LEU 107 111.091   9.120   1.234
    7   HD12  LEU 107          HD12      LEU 107 111.865   8.855  -0.321
    8   HD13  LEU 107          HD13      LEU 107 112.471  10.107   0.755
    9   HD21  LEU 107          HD21      LEU 107 111.180  10.525  -2.322
   10   HD22  LEU 107          HD22      LEU 107 110.840  12.149  -1.737
   11   HD23  LEU 107          HD23      LEU 107 112.357  11.362  -1.314

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ALA 108           H        ALA 108 106.014  11.611  -0.901
    2    HA   ALA 108           HA       ALA 108 104.805   9.119  -1.888
    3    HB1  ALA 108           HB1      ALA 108 103.533  11.167  -0.064
    4    HB2  ALA 108           HB2      ALA 108 102.941   9.560  -0.462
    5    HB3  ALA 108           HB3      ALA 108 104.378   9.758   0.510

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR 109           H        TYR 109 102.756  11.829  -1.345
    2    HA   TYR 109           HA       TYR 109 102.367  12.004  -4.240
    3    HB2  TYR 109           HB2      TYR 109 100.533  12.235  -1.897
    4    HB3  TYR 109           HB3      TYR 109 100.100  12.991  -3.428
    5    HD1  TYR 109           HD1      TYR 109 100.285   9.886  -1.653
    6    HD2  TYR 109           HD2      TYR 109 100.321  11.603  -5.565
    7    HE1  TYR 109           HE1      TYR 109  99.809   7.697  -2.598
    8    HE2  TYR 109           HE2      TYR 109  99.870   9.402  -6.549
    9    HH   TYR 109           HH       TYR 109  99.269   6.571  -4.451

  No H/Q in entry =           9
  In of MODEL    9
    1    H    GLY 110           H        GLY 110 104.059  13.705  -2.092
    2    HA2  GLY 110           HA2      GLY 110 103.597  16.197  -3.617
    3    HA3  GLY 110           HA3      GLY 110 105.095  15.742  -2.835

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO 111           HA       PRO 111 104.062  18.149   0.673
    2    HB2  PRO 111           HB2      PRO 111 104.796  20.645  -0.034
    3    HB3  PRO 111           HB3      PRO 111 105.972  19.337   0.171
    4    HG2  PRO 111           HG2      PRO 111 104.771  20.381  -2.352
    5    HG3  PRO 111           HG3      PRO 111 106.465  20.001  -1.991
    6    HD2  PRO 111           HD2      PRO 111 104.841  18.284  -3.341
    7    HD3  PRO 111           HD3      PRO 111 106.139  17.718  -2.280

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ARG 112           H        ARG 112 102.485  18.882  -2.304
    2    HA   ARG 112           HA       ARG 112 100.514  20.672  -1.029
    3    HB2  ARG 112           HB2      ARG 112 100.789  19.827  -3.922
    4    HB3  ARG 112           HB3      ARG 112  99.719  21.079  -3.296
    5    HG2  ARG 112           HG2      ARG 112 101.719  22.334  -2.489
    6    HG3  ARG 112           HG3      ARG 112 102.747  21.107  -3.231
    7    HD2  ARG 112           HD2      ARG 112 101.564  21.580  -5.418
    8    HD3  ARG 112           HD3      ARG 112 100.808  22.959  -4.628
    9    HE   ARG 112           HE       ARG 112 103.507  22.807  -5.583
   10   HH11  ARG 112          HH11      ARG 112 101.454  24.161  -3.139
   11   HH12  ARG 112          HH12      ARG 112 102.425  25.577  -2.924
   12   HH21  ARG 112          HH21      ARG 112 104.763  24.659  -5.314
   13   HH22  ARG 112          HH22      ARG 112 104.301  25.865  -4.160

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER 113           H        SER 113  98.190  20.249  -1.703
    2    HA   SER 113           HA       SER 113  97.470  17.567  -0.967
    3    HB2  SER 113           HB2      SER 113  95.642  19.696  -2.062
    4    HB3  SER 113           HB3      SER 113  95.246  18.361  -0.985
    5    HG   SER 113           HG       SER 113  97.156  20.322  -0.309

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL 114           H        VAL 114  98.418  16.347  -2.710
    2    HA   VAL 114           HA       VAL 114  97.284  16.790  -5.405
    3    HB   VAL 114           HB       VAL 114  99.366  14.759  -4.636

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLY 115           H        GLY 115  95.219  15.983  -4.015
    2    HA2  GLY 115           HA2      GLY 115  94.994  13.153  -3.656
    3    HA3  GLY 115           HA3      GLY 115  94.315  13.659  -5.196

  No H/Q in entry =           3
  In of MODEL    9
    1    H    GLY 116           H        GLY 116  92.504  12.548  -3.759
    2    HA2  GLY 116           HA2      GLY 116  90.422  12.787  -2.797
    3    HA3  GLY 116           HA3      GLY 116  90.514  14.462  -3.291

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO 117           HA       PRO 117  90.342  14.439   1.345
    2    HB2  PRO 117           HB2      PRO 117  91.128  12.233   2.764
    3    HB3  PRO 117           HB3      PRO 117  89.491  12.468   2.146
    4    HG2  PRO 117           HG2      PRO 117  91.723  10.912   0.974
    5    HG3  PRO 117           HG3      PRO 117  90.024  10.488   1.090
    6    HD2  PRO 117           HD2      PRO 117  91.067  11.359  -1.210
    7    HD3  PRO 117           HD3      PRO 117  89.429  11.830  -0.711

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ILE 118           H        ILE 118  93.088  13.238  -0.238
    2    HA   ILE 118           HA       ILE 118  95.022  13.693   1.808
    3    HB   ILE 118           HB       ILE 118  95.477  13.894  -1.179
    4   HD11  ILE 118          HD11      ILE 118  93.898  12.403  -1.752
    5   HD12  ILE 118          HD12      ILE 118  94.472  10.745  -1.834
    6   HD13  ILE 118          HD13      ILE 118  93.418  11.248  -0.522

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY 119           H        GLY 119  95.243  15.633   2.707
    2    HA2  GLY 119           HA2      GLY 119  94.983  17.923   2.965
    3    HA3  GLY 119           HA3      GLY 119  94.673  18.090   1.251

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO 120           HA       PRO 120  98.772  19.642   0.892
    2    HB2  PRO 120           HB2      PRO 120  99.240  21.547   2.806
    3    HB3  PRO 120           HB3      PRO 120  98.234  21.830   1.385
    4    HG2  PRO 120           HG2      PRO 120  97.398  21.106   4.150
    5    HG3  PRO 120           HG3      PRO 120  96.710  22.299   3.056
    6    HD2  PRO 120           HD2      PRO 120  95.583  19.893   3.439
    7    HD3  PRO 120           HD3      PRO 120  95.549  20.677   1.848

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ASN 121           H        ASN 121 100.890  19.225   1.433
    2    HA   ASN 121           HA       ASN 121 102.576  18.027   2.422
    3    HB2  ASN 121           HB2      ASN 121 102.292  20.249   3.760
    4    HB3  ASN 121           HB3      ASN 121 101.671  19.204   5.035
    5   HD21  ASN 121          HD21      ASN 121 103.254  17.052   5.173
    6   HD22  ASN 121          HD22      ASN 121 104.896  17.460   5.311

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLU 122           H        GLU 122 100.544  16.286   2.081
    2    HA   GLU 122           HA       GLU 122 100.024  14.940   4.639
    3    HB2  GLU 122           HB2      GLU 122  99.023  14.607   1.827
    4    HB3  GLU 122           HB3      GLU 122  98.794  13.327   3.013
    5    HG2  GLU 122           HG2      GLU 122  97.902  16.181   3.424
    6    HG3  GLU 122           HG3      GLU 122  96.875  14.882   2.829

  No H/Q in entry =           6
  In of MODEL    9
    1    H    THR 123           H        THR 123 101.010  13.195   5.323
    2    HA   THR 123           HA       THR 123 103.036  11.897   3.598
    3    HB   THR 123           HB       THR 123 102.507  11.650   6.572
    4    HG1  THR 123           HG1      THR 123 104.900  12.565   5.567
    5   HG21  THR 123          HG21      THR 123 103.381   9.572   5.486
    6   HG22  THR 123          HG22      THR 123 104.734  10.512   4.903
    7   HG23  THR 123          HG23      THR 123 104.505  10.280   6.629

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU 124           H        LEU 124 102.517   9.990   2.690
    2    HA   LEU 124           HA       LEU 124 100.067   8.603   3.659
    3    HB2  LEU 124           HB2      LEU 124 101.294   8.596   0.892
    4    HB3  LEU 124           HB3      LEU 124  99.877   7.684   1.371
    5    HG   LEU 124           HG       LEU 124  98.943   9.565   0.318
    6   HD11  LEU 124          HD11      LEU 124  98.101   9.284   2.687
    7   HD12  LEU 124          HD12      LEU 124  99.138  10.647   3.089
    8   HD13  LEU 124          HD13      LEU 124  97.838  10.860   1.940
    9   HD21  LEU 124          HD21      LEU 124 101.144  10.763   0.150
   10   HD22  LEU 124          HD22      LEU 124  99.746  11.789   0.404
   11   HD23  LEU 124          HD23      LEU 124 100.816  11.413   1.738

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE 125           H        ILE 125 100.078   6.470   3.984
    2    HA   ILE 125           HA       ILE 125 102.649   5.012   3.806
    3    HB   ILE 125           HB       ILE 125 102.193   5.239   6.136
    4   HD11  ILE 125          HD11      ILE 125 101.879   3.703   7.851
    5   HD12  ILE 125          HD12      ILE 125 100.629   2.509   7.570
    6   HD13  ILE 125          HD13      ILE 125 102.318   2.055   7.464

  No H/Q in entry =           6
  In of MODEL    9
    1    H    PHE 126           H        PHE 126 102.531   2.909   3.045
    2    HA   PHE 126           HA       PHE 126  99.877   1.927   2.289
    3    HB2  PHE 126           HB2      PHE 126 102.159   1.593   0.376
    4    HB3  PHE 126           HB3      PHE 126 100.418   1.476   0.080
    5    HD1  PHE 126           HD1      PHE 126  99.283   3.322  -0.833
    6    HD2  PHE 126           HD2      PHE 126 103.042   3.896   1.154
    7    HE1  PHE 126           HE1      PHE 126  99.294   5.705  -1.529
    8    HE2  PHE 126           HE2      PHE 126 103.043   6.270   0.462
    9    HZ   PHE 126           HZ       PHE 126 101.182   7.169  -0.880

  No H/Q in entry =           9
  In of MODEL    9
    1    H    LYS 127           H        LYS 127  99.709  -0.333   2.049
    2    HA   LYS 127           HA       LYS 127 101.865  -1.828   3.347
    3    HB2  LYS 127           HB2      LYS 127  99.412  -3.343   2.807
    4    HB3  LYS 127           HB3      LYS 127 100.258  -3.111   4.319
    5    HG2  LYS 127           HG2      LYS 127  98.374  -1.105   3.110
    6    HG3  LYS 127           HG3      LYS 127  97.938  -2.270   4.351
    7    HD2  LYS 127           HD2      LYS 127  99.795  -1.285   5.792
    8    HD3  LYS 127           HD3      LYS 127  99.924   0.006   4.610
    9    HE2  LYS 127           HE2      LYS 127  97.718   0.773   5.027
   10    HE3  LYS 127           HE3      LYS 127  97.291  -0.694   5.906
   11    HZ1  LYS 127           HZ1      LYS 127  99.385   0.145   7.313
   12    HZ2  LYS 127           HZ2      LYS 127  98.763   1.642   6.803
   13    HZ3  LYS 127           HZ3      LYS 127  97.784   0.563   7.679

  No H/Q in entry =          13
  In of MODEL    9
    1    H    ILE 128           H        ILE 128 103.163  -3.003   2.031
    2    HA   ILE 128           HA       ILE 128 102.054  -3.525  -0.691
    3    HB   ILE 128           HB       ILE 128 105.007  -3.263  -0.186
    4   HD11  ILE 128          HD11      ILE 128 105.147  -0.722  -1.886
    5   HD12  ILE 128          HD12      ILE 128 104.829   0.510  -0.674
    6   HD13  ILE 128          HD13      ILE 128 105.981  -0.772  -0.332

  No H/Q in entry =           6
  In of MODEL    9
    1    H    HIS 129           H        HIS 129 101.687  -5.453  -1.167
    2    HA   HIS 129           HA       HIS 129 103.225  -7.672   0.045
    3    HB2  HIS 129           HB2      HIS 129 100.868  -7.805   0.593
    4    HB3  HIS 129           HB3      HIS 129 100.430  -7.574  -1.099
    5    HD2  HIS 129           HD2      HIS 129 103.256 -10.147   0.003
    6    HE1  HIS 129           HE1      HIS 129 100.056 -12.240  -1.806
    7    HE2  HIS 129           HE2      HIS 129 102.421 -12.454  -0.938

  No H/Q in entry =           7
  In of MODEL    9
    1    H    LEU 130           H        LEU 130 104.629  -8.664  -1.315
    2    HA   LEU 130           HA       LEU 130 104.362  -8.099  -4.167
    3    HB2  LEU 130           HB2      LEU 130 106.541  -8.205  -2.468
    4    HB3  LEU 130           HB3      LEU 130 106.645  -9.700  -3.349
    5    HG   LEU 130           HG       LEU 130 106.377  -6.995  -4.614
    6   HD11  LEU 130          HD11      LEU 130 108.597  -7.567  -3.497
    7   HD12  LEU 130          HD12      LEU 130 108.761  -8.828  -4.701
    8   HD13  LEU 130          HD13      LEU 130 108.697  -7.153  -5.210
    9   HD21  LEU 130          HD21      LEU 130 105.363  -8.794  -5.994
   10   HD22  LEU 130          HD22      LEU 130 106.822  -8.183  -6.713
   11   HD23  LEU 130          HD23      LEU 130 106.869  -9.707  -5.864

  No H/Q in entry =          11
  In of MODEL    9
    1    H    ILE 131           H        ILE 131 103.180  -9.425  -5.370
    2    HA   ILE 131           HA       ILE 131 103.033 -12.273  -4.702
    3    HB   ILE 131           HB       ILE 131 101.450 -10.537  -6.613
    4   HD11  ILE 131          HD11      ILE 131 100.359  -9.053  -5.180
    5   HD12  ILE 131          HD12      ILE 131  99.834  -9.514  -3.568
    6   HD13  ILE 131          HD13      ILE 131 101.542  -9.348  -3.909

  No H/Q in entry =           6
  In of MODEL    9
    1    H    SER 132           H        SER 132 103.886 -10.162  -7.473
    2    HA   SER 132           HA       SER 132 105.718 -12.238  -8.425
    3    HB2  SER 132           HB2      SER 132 104.709 -12.664 -10.473
    4    HB3  SER 132           HB3      SER 132 103.287 -12.470  -9.450
    5    HG   SER 132           HG       SER 132 102.814 -10.996 -10.888

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL 133           H        VAL 133 107.189 -11.466 -10.078
    2    HA   VAL 133           HA       VAL 133 107.419  -8.510 -10.205
    3    HB   VAL 133           HB       VAL 133 109.625 -10.539  -9.756

  No H/Q in entry =           3
  In of MODEL    9
    1    H    LYS 134           H        LYS 134 108.057  -7.654 -12.141
    2    HA   LYS 134           HA       LYS 134 108.174  -9.447 -14.447
    3    HB2  LYS 134           HB2      LYS 134 106.740  -7.236 -14.080
    4    HB3  LYS 134           HB3      LYS 134 108.228  -6.497 -14.647
    5    HG2  LYS 134           HG2      LYS 134 107.237  -6.843 -16.706
    6    HG3  LYS 134           HG3      LYS 134 108.016  -8.416 -16.537
    7    HD2  LYS 134           HD2      LYS 134 105.926  -9.258 -15.457
    8    HD3  LYS 134           HD3      LYS 134 105.155  -7.722 -15.841
    9    HE2  LYS 134           HE2      LYS 134 105.914  -8.177 -18.278
   10    HE3  LYS 134           HE3      LYS 134 106.153  -9.841 -17.741
   11    HZ1  LYS 134           HZ1      LYS 134 103.699  -9.087 -16.752
   12    HZ2  LYS 134           HZ2      LYS 134 103.732  -8.492 -18.340
   13    HZ3  LYS 134           HZ3      LYS 134 103.993 -10.146 -18.048

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LYS 135           H        LYS 135 109.396  -7.441 -16.046
    2    HA   LYS 135           HA       LYS 135 111.893  -6.572 -15.200
    3    HB2  LYS 135           HB2      LYS 135 111.931  -9.318 -15.594
    4    HB3  LYS 135           HB3      LYS 135 112.643  -8.689 -17.070
    5    HG2  LYS 135           HG2      LYS 135 113.497  -7.779 -14.319
    6    HG3  LYS 135           HG3      LYS 135 114.238  -9.137 -15.161
    7    HD2  LYS 135           HD2      LYS 135 113.998  -6.624 -16.746
    8    HD3  LYS 135           HD3      LYS 135 115.118  -6.552 -15.387
    9    HE2  LYS 135           HE2      LYS 135 115.165  -8.778 -17.416
   10    HE3  LYS 135           HE3      LYS 135 116.112  -7.306 -17.603
   11    HZ1  LYS 135           HZ1      LYS 135 116.409  -8.379 -14.994
   12    HZ2  LYS 135           HZ2      LYS 135 116.805  -9.545 -16.160
   13    HZ3  LYS 135           HZ3      LYS 135 117.600  -8.042 -16.158

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER 136           H        SER 136 112.477  -5.033 -16.358
    2    HA   SER 136           HA       SER 136 111.011  -4.295 -18.694
    3    HB2  SER 136           HB2      SER 136 111.732  -2.483 -17.400
    4    HB3  SER 136           HB3      SER 136 113.361  -3.133 -17.213
    5    HG   SER 136           HG       SER 136 113.568  -1.626 -18.776

  No H/Q in entry =           5
  In of MODEL    9
    1    H    SER 137           H        SER 137 114.380  -5.326 -18.202
    2    HA   SER 137           HA       SER 137 114.679  -5.645 -21.137
    3    HB2  SER 137           HB2      SER 137 117.147  -5.760 -20.539
    4    HB3  SER 137           HB3      SER 137 116.372  -4.201 -20.280
    5    HG   SER 137           HG       SER 137 116.190  -4.716 -18.089

  No H/Q in entry =           5
  In of MODEL   10
    1    H1   PHE   1           H1       PHE   1  94.390  25.490   4.148
    2    H2   PHE   1           H2       PHE   1  93.937  27.116   4.336
    3    H3   PHE   1           H3       PHE   1  93.510  26.276   2.926
    4    HA   PHE   1           HA       PHE   1  95.553  26.438   2.005
    5    HB2  PHE   1           HB2      PHE   1  95.440  28.745   3.973
    6    HB3  PHE   1           HB3      PHE   1  96.526  28.672   2.585
    7    HD1  PHE   1           HD1      PHE   1  95.583  28.521   0.268
    8    HD2  PHE   1           HD2      PHE   1  93.124  29.309   3.699
    9    HE1  PHE   1           HE1      PHE   1  93.780  29.352  -1.216
   10    HE2  PHE   1           HE2      PHE   1  91.319  30.139   2.213
   11    HZ   PHE   1           HZ       PHE   1  91.649  30.161  -0.245

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ASN   2           H        ASN   2  97.651  28.017   3.800
    2    HA   ASN   2           HA       ASN   2  99.238  25.746   4.349
    3    HB2  ASN   2           HB2      ASN   2  99.519  28.603   5.228
    4    HB3  ASN   2           HB3      ASN   2 100.690  27.351   5.622
    5   HD21  ASN   2          HD21      ASN   2 101.211  25.952   3.445
    6   HD22  ASN   2          HD22      ASN   2 101.608  26.914   2.105

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS   3           H        LYS   3  96.916  27.517   6.232
    2    HA   LYS   3           HA       LYS   3  97.705  26.841   8.819
    3    HB2  LYS   3           HB2      LYS   3  95.276  27.050   9.407
    4    HB3  LYS   3           HB3      LYS   3  95.893  28.406   8.465
    5    HG2  LYS   3           HG2      LYS   3  94.831  27.668   6.481
    6    HG3  LYS   3           HG3      LYS   3  94.569  26.058   7.114
    7    HD2  LYS   3           HD2      LYS   3  93.038  27.109   8.850
    8    HD3  LYS   3           HD3      LYS   3  93.127  28.587   7.885
    9    HE2  LYS   3           HE2      LYS   3  92.378  27.283   5.908
   10    HE3  LYS   3           HE3      LYS   3  92.243  25.855   6.946
   11    HZ1  LYS   3           HZ1      LYS   3  90.866  28.246   7.872
   12    HZ2  LYS   3           HZ2      LYS   3  90.223  27.527   6.478
   13    HZ3  LYS   3           HZ3      LYS   3  90.372  26.621   7.908

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LYS   4           H        LYS   4  95.845  24.992   6.444
    2    HA   LYS   4           HA       LYS   4  95.311  22.813   8.195
    3    HB2  LYS   4           HB2      LYS   4  94.161  23.578   5.950
    4    HB3  LYS   4           HB3      LYS   4  95.332  22.494   5.214
    5    HG2  LYS   4           HG2      LYS   4  93.410  21.726   7.425
    6    HG3  LYS   4           HG3      LYS   4  93.153  21.400   5.720
    7    HD2  LYS   4           HD2      LYS   4  95.408  20.147   5.782
    8    HD3  LYS   4           HD3      LYS   4  95.258  20.247   7.537
    9    HE2  LYS   4           HE2      LYS   4  93.172  19.053   7.532
   10    HE3  LYS   4           HE3      LYS   4  93.088  19.095   5.773
   11    HZ1  LYS   4           HZ1      LYS   4  95.256  17.757   7.292
   12    HZ2  LYS   4           HZ2      LYS   4  93.873  16.961   6.708
   13    HZ3  LYS   4           HZ3      LYS   4  94.964  17.669   5.619

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ALA   5           H        ALA   5  97.705  23.598   5.758
    2    HA   ALA   5           HA       ALA   5  99.066  21.229   5.397
    3    HB1  ALA   5           HB1      ALA   5 100.839  22.560   4.595
    4    HB2  ALA   5           HB2      ALA   5 100.444  23.882   5.675
    5    HB3  ALA   5           HB3      ALA   5  99.400  23.524   4.309

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP   6           H        ASP   6  99.169  23.468   8.049
    2    HA   ASP   6           HA       ASP   6 101.461  22.486   9.349
    3    HB2  ASP   6           HB2      ASP   6  99.000  23.837  10.336
    4    HB3  ASP   6           HB3      ASP   6 100.343  23.417  11.389

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU   7           H        GLU   7  98.017  21.581   9.609
    2    HA   GLU   7           HA       GLU   7  98.292  19.719  11.688
    3    HB2  GLU   7           HB2      GLU   7  96.382  19.375   9.428
    4    HB3  GLU   7           HB3      GLU   7  96.149  18.948  11.120
    5    HG2  GLU   7           HG2      GLU   7  96.290  21.388  11.666
    6    HG3  GLU   7           HG3      GLU   7  96.293  21.716   9.940

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASN   8           H        ASN   8  98.235  19.223   8.239
    2    HA   ASN   8           HA       ASN   8  98.722  16.455   8.213
    3    HB2  ASN   8           HB2      ASN   8  99.667  18.480   6.196
    4    HB3  ASN   8           HB3      ASN   8  99.265  16.800   5.889
    5   HD21  ASN   8          HD21      ASN   8  97.806  18.124   4.255
    6   HD22  ASN   8          HD22      ASN   8  96.260  18.512   4.820

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS   9           H        LYS   9 100.751  19.262   8.326
    2    HA   LYS   9           HA       LYS   9 103.270  17.973   8.024
    3    HB2  LYS   9           HB2      LYS   9 103.411  20.246   7.635
    4    HB3  LYS   9           HB3      LYS   9 102.267  20.619   8.885
    5    HG2  LYS   9           HG2      LYS   9 103.874  20.353  10.616
    6    HG3  LYS   9           HG3      LYS   9 105.017  19.632   9.514
    7    HD2  LYS   9           HD2      LYS   9 104.694  22.423  10.243
    8    HD3  LYS   9           HD3      LYS   9 105.987  21.684   9.317
    9    HE2  LYS   9           HE2      LYS   9 103.339  22.509   8.101
   10    HE3  LYS   9           HE3      LYS   9 104.745  23.552   8.171
   11    HZ1  LYS   9           HZ1      LYS   9 105.302  20.917   7.152
   12    HZ2  LYS   9           HZ2      LYS   9 104.249  21.824   6.177
   13    HZ3  LYS   9           HZ3      LYS   9 105.784  22.434   6.571

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  10           H        VAL  10 101.580  19.183  10.951
    2    HA   VAL  10           HA       VAL  10 103.606  18.226  12.678
    3    HB   VAL  10           HB       VAL  10 100.761  18.998  13.260

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  11           H        LYS  11 100.422  16.904  11.877
    2    HA   LYS  11           HA       LYS  11 100.675  14.619  13.502
    3    HB2  LYS  11           HB2      LYS  11  99.016  15.267  11.103
    4    HB3  LYS  11           HB3      LYS  11  98.963  13.686  11.849
    5    HG2  LYS  11           HG2      LYS  11  97.213  14.789  12.956
    6    HG3  LYS  11           HG3      LYS  11  98.546  15.013  14.080
    7    HD2  LYS  11           HD2      LYS  11  98.995  17.231  12.911
    8    HD3  LYS  11           HD3      LYS  11  97.456  17.006  12.084
    9    HE2  LYS  11           HE2      LYS  11  97.994  17.449  15.007
   10    HE3  LYS  11           HE3      LYS  11  96.848  18.276  13.952
   11    HZ1  LYS  11           HZ1      LYS  11  95.725  16.024  13.753
   12    HZ2  LYS  11           HZ2      LYS  11  96.644  15.562  15.105
   13    HZ3  LYS  11           HZ3      LYS  11  95.542  16.849  15.225

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLY  12           H        GLY  12 101.636  15.472  10.291
    2    HA2  GLY  12           HA2      GLY  12 102.847  14.341   8.666
    3    HA3  GLY  12           HA3      GLY  12 102.516  12.845   9.518

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  13           H        GLU  13 104.189  15.775  10.696
    2    HA   GLU  13           HA       GLU  13 106.802  14.716  10.447
    3    HB2  GLU  13           HB2      GLU  13 105.626  16.878  12.196
    4    HB3  GLU  13           HB3      GLU  13 107.314  16.395  12.356
    5    HG2  GLU  13           HG2      GLU  13 107.749  16.932  10.043
    6    HG3  GLU  13           HG3      GLU  13 106.051  17.276   9.756

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  14           H        ALA  14 104.287  14.364  12.801
    2    HA   ALA  14           HA       ALA  14 105.909  13.103  14.787
    3    HB1  ALA  14           HB1      ALA  14 103.870  14.367  15.373
    4    HB2  ALA  14           HB2      ALA  14 102.903  13.185  14.491
    5    HB3  ALA  14           HB3      ALA  14 103.791  12.699  15.935

  No H/Q in entry =           5
  In of MODEL   10
    1    H    PHE  15           H        PHE  15 103.893  12.202  12.131
    2    HA   PHE  15           HA       PHE  15 103.498   9.467  12.665
    3    HB2  PHE  15           HB2      PHE  15 102.309  10.929  11.018
    4    HB3  PHE  15           HB3      PHE  15 103.732  10.874  10.002
    5    HD1  PHE  15           HD1      PHE  15 104.250   8.979   8.699
    6    HD2  PHE  15           HD2      PHE  15 101.003   8.878  11.495
    7    HE1  PHE  15           HE1      PHE  15 103.378   6.928   7.621
    8    HE2  PHE  15           HE2      PHE  15 100.151   6.800  10.443
    9    HZ   PHE  15           HZ       PHE  15 101.342   5.838   8.497

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LEU  16           H        LEU  16 105.966  11.115  10.703
    2    HA   LEU  16           HA       LEU  16 107.366   8.670  10.141
    3    HB2  LEU  16           HB2      LEU  16 108.242  11.557   9.953
    4    HB3  LEU  16           HB3      LEU  16 109.268  10.208   9.508
    5    HG   LEU  16           HG       LEU  16 107.157   9.517   8.019
    6   HD11  LEU  16          HD11      LEU  16 106.791  12.474   8.525
    7   HD12  LEU  16          HD12      LEU  16 106.287  11.754   7.001
    8   HD13  LEU  16          HD13      LEU  16 105.574  11.200   8.516
    9   HD21  LEU  16          HD21      LEU  16 109.299  11.552   7.435
   10   HD22  LEU  16          HD22      LEU  16 109.257   9.841   7.039
   11   HD23  LEU  16          HD23      LEU  16 108.210  10.962   6.185

  No H/Q in entry =          11
  In of MODEL   10
    1    H    THR  17           H        THR  17 107.675  11.217  12.532
    2    HA   THR  17           HA       THR  17 110.087  10.334  13.679
    3    HB   THR  17           HB       THR  17 107.841  11.638  15.205
    4    HG1  THR  17           HG1      THR  17 109.073  13.569  14.559
    5   HG21  THR  17          HG21      THR  17 110.844  11.613  15.503
    6   HG22  THR  17          HG22      THR  17 109.735  12.590  16.465
    7   HG23  THR  17          HG23      THR  17 109.667  10.836  16.564

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  18           H        GLU  18 106.732   9.515  14.295
    2    HA   GLU  18           HA       GLU  18 107.314   7.765  16.435
    3    HB2  GLU  18           HB2      GLU  18 105.168   8.918  16.291
    4    HB3  GLU  18           HB3      GLU  18 104.821   8.063  14.793
    5    HG2  GLU  18           HG2      GLU  18 104.837   5.922  15.954
    6    HG3  GLU  18           HG3      GLU  18 105.324   6.705  17.456

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASN  19           H        ASN  19 106.423   7.287  13.024
    2    HA   ASN  19           HA       ASN  19 106.310   4.491  13.098
    3    HB2  ASN  19           HB2      ASN  19 105.493   5.821  11.207
    4    HB3  ASN  19           HB3      ASN  19 107.155   6.212  10.780
    5   HD21  ASN  19          HD21      ASN  19 107.706   4.955   9.032
    6   HD22  ASN  19          HD22      ASN  19 107.370   3.303   8.870

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  20           H        LYS  20 109.109   6.545  12.335
    2    HA   LYS  20           HA       LYS  20 110.813   4.410  11.661
    3    HB2  LYS  20           HB2      LYS  20 112.670   5.931  12.098
    4    HB3  LYS  20           HB3      LYS  20 111.397   6.773  11.221
    5    HG2  LYS  20           HG2      LYS  20 110.531   7.521  13.515
    6    HG3  LYS  20           HG3      LYS  20 112.051   6.915  14.164
    7    HD2  LYS  20           HD2      LYS  20 111.856   8.993  11.966
    8    HD3  LYS  20           HD3      LYS  20 112.127   9.361  13.671
    9    HE2  LYS  20           HE2      LYS  20 114.135   7.758  13.519
   10    HE3  LYS  20           HE3      LYS  20 113.938   7.912  11.776
   11    HZ1  LYS  20           HZ1      LYS  20 113.865  10.434  12.352
   12    HZ2  LYS  20           HZ2      LYS  20 114.725   9.937  13.730
   13    HZ3  LYS  20           HZ3      LYS  20 115.349   9.632  12.179

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ASN  21           H        ASN  21 109.722   5.685  14.698
    2    HA   ASN  21           HA       ASN  21 111.656   4.277  16.317
    3    HB2  ASN  21           HB2      ASN  21 109.204   5.906  16.907
    4    HB3  ASN  21           HB3      ASN  21 110.026   5.008  18.173
    5   HD21  ASN  21          HD21      ASN  21 112.283   5.960  15.838
    6   HD22  ASN  21          HD22      ASN  21 112.850   7.369  16.597

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  22           H        LYS  22 108.433   3.706  15.112
    2    HA   LYS  22           HA       LYS  22 107.616   1.781  16.885
    3    HB2  LYS  22           HB2      LYS  22 106.964   2.334  14.044
    4    HB3  LYS  22           HB3      LYS  22 106.229   0.960  14.845
    5    HG2  LYS  22           HG2      LYS  22 105.712   2.869  16.712
    6    HG3  LYS  22           HG3      LYS  22 105.786   3.891  15.289
    7    HD2  LYS  22           HD2      LYS  22 104.057   1.410  15.478
    8    HD3  LYS  22           HD3      LYS  22 103.479   3.038  15.823
    9    HE2  LYS  22           HE2      LYS  22 103.836   3.749  13.585
   10    HE3  LYS  22           HE3      LYS  22 104.818   2.332  13.216
   11    HZ1  LYS  22           HZ1      LYS  22 102.461   1.287  14.070
   12    HZ2  LYS  22           HZ2      LYS  22 101.974   2.638  13.164
   13    HZ3  LYS  22           HZ3      LYS  22 102.945   1.445  12.449

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  23           HA       PRO  23 110.195  -1.809  16.160
    2    HB2  PRO  23           HB2      PRO  23 107.730  -3.457  16.499
    3    HB3  PRO  23           HB3      PRO  23 109.277  -3.554  17.361
    4    HG2  PRO  23           HG2      PRO  23 107.114  -2.522  18.519
    5    HG3  PRO  23           HG3      PRO  23 108.732  -1.848  18.801
    6    HD2  PRO  23           HD2      PRO  23 106.515  -0.766  17.090
    7    HD3  PRO  23           HD3      PRO  23 107.700   0.086  18.105

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  24           H        GLY  24 110.707  -3.287  14.553
    2    HA2  GLY  24           HA2      GLY  24 108.843  -4.093  12.525
    3    HA3  GLY  24           HA3      GLY  24 110.554  -4.495  12.581

  No H/Q in entry =           3
  In of MODEL   10
    1    H    VAL  25           H        VAL  25 109.712  -1.163  12.850
    2    HA   VAL  25           HA       VAL  25 109.871  -0.670   9.984
    3    HB   VAL  25           HB       VAL  25 109.781   1.292  12.288

  No H/Q in entry =           3
  In of MODEL   10
    1    H    VAL  26           H        VAL  26 111.564   0.081   8.894
    2    HA   VAL  26           HA       VAL  26 114.074   0.742  10.351
    3    HB   VAL  26           HB       VAL  26 113.718  -0.754   7.743

  No H/Q in entry =           3
  In of MODEL   10
    1    H    VAL  27           H        VAL  27 114.681   2.807   9.981
    2    HA   VAL  27           HA       VAL  27 113.416   4.233   7.766
    3    HB   VAL  27           HB       VAL  27 113.140   5.267   9.955

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  28           H        LEU  28 114.403   5.455   6.297
    2    HA   LEU  28           HA       LEU  28 117.253   4.797   5.870
    3    HB2  LEU  28           HB2      LEU  28 115.120   5.493   3.849
    4    HB3  LEU  28           HB3      LEU  28 116.775   5.116   3.459
    5    HG   LEU  28           HG       LEU  28 114.888   3.209   4.845
    6   HD11  LEU  28          HD11      LEU  28 114.332   3.830   2.448
    7   HD12  LEU  28          HD12      LEU  28 115.894   3.170   1.990
    8   HD13  LEU  28          HD13      LEU  28 114.667   2.124   2.697
    9   HD21  LEU  28          HD21      LEU  28 117.731   3.021   3.812
   10   HD22  LEU  28          HD22      LEU  28 117.133   2.622   5.421
   11   HD23  LEU  28          HD23      LEU  28 116.733   1.595   4.054

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   PRO  29           HA       PRO  29 118.383   9.026   5.884
    2    HB2  PRO  29           HB2      PRO  29 119.612   8.812   3.191
    3    HB3  PRO  29           HB3      PRO  29 120.361   9.282   4.728
    4    HG2  PRO  29           HG2      PRO  29 120.847   6.911   3.668
    5    HG3  PRO  29           HG3      PRO  29 120.616   7.080   5.421
    6    HD2  PRO  29           HD2      PRO  29 118.678   6.131   3.345
    7    HD3  PRO  29           HD3      PRO  29 119.028   5.433   4.938

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  30           H        SER  30 116.873   7.835   2.965
    2    HA   SER  30           HA       SER  30 116.160  10.340   1.834
    3    HB2  SER  30           HB2      SER  30 114.698   7.718   1.469
    4    HB3  SER  30           HB3      SER  30 114.805   9.062   0.332
    5    HG   SER  30           HG       SER  30 116.820   7.252   1.153

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  31           H        GLY  31 115.096   8.600   4.512
    2    HA2  GLY  31           HA2      GLY  31 112.839  10.424   4.912
    3    HA3  GLY  31           HA3      GLY  31 113.597   9.417   6.139

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU  32           H        LEU  32 113.304   7.553   3.436
    2    HA   LEU  32           HA       LEU  32 110.526   6.837   3.731
    3    HB2  LEU  32           HB2      LEU  32 111.662   6.704   1.526
    4    HB3  LEU  32           HB3      LEU  32 112.745   5.485   2.149
    5    HG   LEU  32           HG       LEU  32 110.738   4.724   0.709
    6   HD11  LEU  32          HD11      LEU  32 112.148   3.233   2.130
    7   HD12  LEU  32          HD12      LEU  32 110.935   3.379   3.384
    8   HD13  LEU  32          HD13      LEU  32 110.515   2.663   1.842
    9   HD21  LEU  32          HD21      LEU  32 109.119   6.145   1.951
   10   HD22  LEU  32          HD22      LEU  32 108.606   4.480   1.773
   11   HD23  LEU  32          HD23      LEU  32 109.232   5.045   3.312

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLN  33           H        GLN  33 109.743   5.226   4.982
    2    HA   GLN  33           HA       GLN  33 111.669   3.511   6.443
    3    HB2  GLN  33           HB2      GLN  33 109.022   4.665   7.327
    4    HB3  GLN  33           HB3      GLN  33 109.964   3.513   8.243
    5    HG2  GLN  33           HG2      GLN  33 110.914   5.363   9.188
    6    HG3  GLN  33           HG3      GLN  33 111.824   5.428   7.713
    7   HE21  GLN  33          HE21      GLN  33 111.454   7.785   9.052
    8   HE22  GLN  33          HE22      GLN  33 110.393   8.747   8.153

  No H/Q in entry =           8
  In of MODEL   10
    1    H    TYR  34           H        TYR  34 111.255   1.340   6.567
    2    HA   TYR  34           HA       TYR  34 108.701   0.375   5.513
    3    HB2  TYR  34           HB2      TYR  34 109.749  -1.339   4.173
    4    HB3  TYR  34           HB3      TYR  34 110.270   0.247   3.629
    5    HD1  TYR  34           HD1      TYR  34 111.234  -2.634   5.734
    6    HD2  TYR  34           HD2      TYR  34 112.573   0.853   3.646
    7    HE1  TYR  34           HE1      TYR  34 113.586  -3.332   6.105
    8    HE2  TYR  34           HE2      TYR  34 114.923   0.169   4.017
    9    HH   TYR  34           HH       TYR  34 115.808  -2.920   4.996

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS  35           H        LYS  35 107.979  -1.524   6.228
    2    HA   LYS  35           HA       LYS  35 109.487  -2.788   8.406
    3    HB2  LYS  35           HB2      LYS  35 107.752  -1.293   9.284
    4    HB3  LYS  35           HB3      LYS  35 106.525  -2.170   8.412
    5    HG2  LYS  35           HG2      LYS  35 108.272  -3.853  10.048
    6    HG3  LYS  35           HG3      LYS  35 107.356  -2.705  10.994
    7    HD2  LYS  35           HD2      LYS  35 105.285  -3.509   9.902
    8    HD3  LYS  35           HD3      LYS  35 106.237  -4.698   9.019
    9    HE2  LYS  35           HE2      LYS  35 105.244  -5.695  11.028
   10    HE3  LYS  35           HE3      LYS  35 106.995  -5.669  11.133
   11    HZ1  LYS  35           HZ1      LYS  35 105.753  -3.295  12.159
   12    HZ2  LYS  35           HZ2      LYS  35 105.294  -4.697  12.997
   13    HZ3  LYS  35           HZ3      LYS  35 106.939  -4.289  12.863

  No H/Q in entry =          13
  In of MODEL   10
    1    H    VAL  36           H        VAL  36 109.568  -4.889   8.306
    2    HA   VAL  36           HA       VAL  36 108.245  -6.168   6.034
    3    HB   VAL  36           HB       VAL  36 110.565  -6.612   6.207

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ILE  37           H        ILE  37 106.242  -6.726   6.350
    2    HA   ILE  37           HA       ILE  37 105.192  -7.672   8.847
    3    HB   ILE  37           HB       ILE  37 103.959  -8.153   6.135
    4   HD11  ILE  37          HD11      ILE  37 104.237  -5.787   8.888
    5   HD12  ILE  37          HD12      ILE  37 104.148  -4.323   7.943
    6   HD13  ILE  37          HD13      ILE  37 102.679  -5.208   8.357

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASN  38           H        ASN  38 106.273  -9.097   5.847
    2    HA   ASN  38           HA       ASN  38 106.617 -11.698   7.155
    3    HB2  ASN  38           HB2      ASN  38 105.129 -11.228   4.584
    4    HB3  ASN  38           HB3      ASN  38 105.616 -12.796   5.160
    5   HD21  ASN  38          HD21      ASN  38 103.469 -10.048   5.895
    6   HD22  ASN  38          HD22      ASN  38 102.463 -10.915   6.952

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER  39           H        SER  39 108.536 -12.576   6.591
    2    HA   SER  39           HA       SER  39 110.144 -11.239   4.547
    3    HB2  SER  39           HB2      SER  39 111.995 -12.174   5.547
    4    HB3  SER  39           HB3      SER  39 110.916 -12.026   6.931
    5    HG   SER  39           HG       SER  39 111.994 -14.140   6.516

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  40           H        GLY  40 110.446 -12.046   2.568
    2    HA2  GLY  40           HA2      GLY  40 109.406 -13.506   0.880
    3    HA3  GLY  40           HA3      GLY  40 109.626 -14.834   2.010

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASN  41           H        ASN  41 111.930 -12.271   1.481
    2    HA   ASN  41           HA       ASN  41 114.056 -12.233   0.622
    3    HB2  ASN  41           HB2      ASN  41 113.904 -15.095   1.573
    4    HB3  ASN  41           HB3      ASN  41 115.394 -14.283   1.089
    5   HD21  ASN  41          HD21      ASN  41 113.115 -12.145   2.539
    6   HD22  ASN  41          HD22      ASN  41 113.825 -12.090   4.083

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  42           H        GLY  42 111.825 -12.870  -1.172
    2    HA2  GLY  42           HA2      GLY  42 111.366 -13.960  -3.186
    3    HA3  GLY  42           HA3      GLY  42 112.932 -14.750  -3.107

  No H/Q in entry =           3
  In of MODEL   10
    1    H    VAL  43           H        VAL  43 111.954 -13.650  -5.377
    2    HA   VAL  43           HA       VAL  43 114.041 -11.909  -6.171
    3    HB   VAL  43           HB       VAL  43 112.948 -11.880  -8.340

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  44           H        LYS  44 113.150  -9.983  -7.626
    2    HA   LYS  44           HA       LYS  44 111.011  -8.435  -6.893
    3    HB2  LYS  44           HB2      LYS  44 111.757  -6.811  -5.326
    4    HB3  LYS  44           HB3      LYS  44 112.110  -8.352  -4.626
    5    HG2  LYS  44           HG2      LYS  44 114.291  -7.046  -6.216
    6    HG3  LYS  44           HG3      LYS  44 113.905  -6.379  -4.648
    7    HD2  LYS  44           HD2      LYS  44 114.234  -9.351  -4.799
    8    HD3  LYS  44           HD3      LYS  44 115.691  -8.373  -4.935
    9    HE2  LYS  44           HE2      LYS  44 115.380  -7.434  -2.775
   10    HE3  LYS  44           HE3      LYS  44 113.700  -7.939  -2.697
   11    HZ1  LYS  44           HZ1      LYS  44 115.780  -9.975  -3.037
   12    HZ2  LYS  44           HZ2      LYS  44 115.566  -9.282  -1.500
   13    HZ3  LYS  44           HZ3      LYS  44 114.280 -10.084  -2.261

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  45           HA       PRO  45 112.748  -6.311 -10.307
    2    HB2  PRO  45           HB2      PRO  45 111.074  -4.183 -10.475
    3    HB3  PRO  45           HB3      PRO  45 110.552  -5.843 -10.769
    4    HG2  PRO  45           HG2      PRO  45 110.016  -4.070  -8.467
    5    HG3  PRO  45           HG3      PRO  45 109.118  -5.463  -9.066
    6    HD2  PRO  45           HD2      PRO  45 110.938  -5.406  -6.861
    7    HD3  PRO  45           HD3      PRO  45 110.012  -6.797  -7.498

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  46           H        GLY  46 113.755  -4.487 -11.207
    2    HA2  GLY  46           HA2      GLY  46 115.564  -2.966 -11.019
    3    HA3  GLY  46           HA3      GLY  46 115.201  -2.802  -9.299

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  47           H        LYS  47 115.488  -0.547 -10.171
    2    HA   LYS  47           HA       LYS  47 113.186   0.921  -9.991
    3    HB2  LYS  47           HB2      LYS  47 114.463   2.798 -10.822
    4    HB3  LYS  47           HB3      LYS  47 115.488   1.816  -9.780
    5    HG2  LYS  47           HG2      LYS  47 115.452   1.718 -12.826
    6    HG3  LYS  47           HG3      LYS  47 116.707   2.454 -11.830
    7    HD2  LYS  47           HD2      LYS  47 116.977   0.135 -10.741
    8    HD3  LYS  47           HD3      LYS  47 116.024  -0.476 -12.084
    9    HE2  LYS  47           HE2      LYS  47 118.293  -0.743 -12.610
   10    HE3  LYS  47           HE3      LYS  47 117.662   0.547 -13.641
   11    HZ1  LYS  47           HZ1      LYS  47 118.760   1.364 -11.074
   12    HZ2  LYS  47           HZ2      LYS  47 119.890   0.784 -12.204
   13    HZ3  LYS  47           HZ3      LYS  47 118.895   2.105 -12.593

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  48           H        SER  48 114.475  -0.722 -12.752
    2    HA   SER  48           HA       SER  48 112.513   0.660 -14.498
    3    HB2  SER  48           HB2      SER  48 115.114  -0.726 -15.015
    4    HB3  SER  48           HB3      SER  48 113.954  -0.497 -16.324
    5    HG   SER  48           HG       SER  48 115.670   1.241 -15.502

  No H/Q in entry =           5
  In of MODEL   10
    1    H    ASP  49           H        ASP  49 112.866  -2.308 -12.872
    2    HA   ASP  49           HA       ASP  49 111.491  -3.874 -14.957
    3    HB2  ASP  49           HB2      ASP  49 112.340  -4.536 -12.169
    4    HB3  ASP  49           HB3      ASP  49 111.405  -5.631 -13.147

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR  50           H        THR  50 109.407  -5.020 -14.341
    2    HA   THR  50           HA       THR  50 107.653  -3.076 -12.986
    3    HB   THR  50           HB       THR  50 106.710  -5.264 -14.797
    4    HG1  THR  50           HG1      THR  50 107.511  -4.156 -16.356
    5   HG21  THR  50          HG21      THR  50 105.499  -2.722 -13.742
    6   HG22  THR  50          HG22      THR  50 104.800  -3.687 -15.046
    7   HG23  THR  50          HG23      THR  50 104.984  -4.397 -13.441

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  51           H        VAL  51 106.067  -3.740 -11.566
    2    HA   VAL  51           HA       VAL  51 106.600  -6.349 -10.280
    3    HB   VAL  51           HB       VAL  51 107.580  -4.268  -9.177

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  52           H        THR  52 104.886  -7.125  -8.857
    2    HA   THR  52           HA       THR  52 102.199  -6.032  -9.511
    3    HB   THR  52           HB       THR  52 103.031  -8.936  -9.490
    4    HG1  THR  52           HG1      THR  52 102.687  -7.023 -11.431
    5   HG21  THR  52          HG21      THR  52 100.367  -7.576  -9.661
    6   HG22  THR  52          HG22      THR  52 100.631  -9.162 -10.375
    7   HG23  THR  52          HG23      THR  52 100.861  -8.941  -8.655

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  53           H        VAL  53 101.302  -5.412  -7.576
    2    HA   VAL  53           HA       VAL  53 101.631  -7.172  -5.229
    3    HB   VAL  53           HB       VAL  53 102.560  -5.448  -3.861

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLU  54           H        GLU  54 100.288  -6.447  -3.336
    2    HA   GLU  54           HA       GLU  54  97.826  -4.963  -4.183
    3    HB2  GLU  54           HB2      GLU  54  97.792  -6.900  -1.859
    4    HB3  GLU  54           HB3      GLU  54  96.469  -6.251  -2.804
    5    HG2  GLU  54           HG2      GLU  54  96.654  -7.798  -4.448
    6    HG3  GLU  54           HG3      GLU  54  98.381  -7.957  -4.307

  No H/Q in entry =           6
  In of MODEL   10
    1    H    TYR  55           H        TYR  55  96.950  -3.480  -2.428
    2    HA   TYR  55           HA       TYR  55  98.610  -3.170  -0.072
    3    HB2  TYR  55           HB2      TYR  55  99.325  -0.866  -0.785
    4    HB3  TYR  55           HB3      TYR  55 100.019  -2.168  -1.757
    5    HD1  TYR  55           HD1      TYR  55  97.514   0.553  -1.726
    6    HD2  TYR  55           HD2      TYR  55  99.206  -2.633  -4.006
    7    HE1  TYR  55           HE1      TYR  55  96.373   1.421  -3.744
    8    HE2  TYR  55           HE2      TYR  55  98.086  -1.774  -6.027
    9    HH   TYR  55           HH       TYR  55  96.260   1.257  -5.988

  No H/Q in entry =           9
  In of MODEL   10
    1    H    THR  56           H        THR  56  98.044  -1.344   1.287
    2    HA   THR  56           HA       THR  56  95.449  -0.105   0.751
    3    HB   THR  56           HB       THR  56  96.203  -1.475   3.277
    4    HG1  THR  56           HG1      THR  56  94.269  -1.577   1.383
    5   HG21  THR  56          HG21      THR  56  94.270   0.838   3.018
    6   HG22  THR  56          HG22      THR  56  94.379  -0.220   4.423
    7   HG23  THR  56          HG23      THR  56  95.733   0.822   3.997

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  57           H        GLY  57  95.465   2.047   0.849
    2    HA2  GLY  57           HA2      GLY  57  97.091   3.905   0.625
    3    HA3  GLY  57           HA3      GLY  57  97.900   3.275   2.046

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ARG  58           H        ARG  58  97.683   4.867   3.546
    2    HA   ARG  58           HA       ARG  58  95.104   6.192   3.798
    3    HB2  ARG  58           HB2      ARG  58  94.644   5.581   5.991
    4    HB3  ARG  58           HB3      ARG  58  95.148   4.073   5.242
    5    HG2  ARG  58           HG2      ARG  58  97.368   4.253   6.199
    6    HG3  ARG  58           HG3      ARG  58  97.037   5.857   6.834
    7    HD2  ARG  58           HD2      ARG  58  96.706   4.561   8.711
    8    HD3  ARG  58           HD3      ARG  58  95.074   4.658   8.075
    9    HE   ARG  58           HE       ARG  58  96.224   2.404   6.917
   10   HH11  ARG  58          HH11      ARG  58  95.508   3.621  10.070
   11   HH12  ARG  58          HH12      ARG  58  95.169   2.064  10.751
   12   HH21  ARG  58          HH21      ARG  58  95.801   0.349   7.803
   13   HH22  ARG  58          HH22      ARG  58  95.345   0.210   9.468

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  59           H        LEU  59  95.073   7.849   5.441
    2    HA   LEU  59           HA       LEU  59  97.409   9.546   5.213
    3    HB2  LEU  59           HB2      LEU  59  94.587   9.804   5.978
    4    HB3  LEU  59           HB3      LEU  59  95.630  10.835   6.919
    5    HG   LEU  59           HG       LEU  59  96.613  11.561   4.614
    6   HD11  LEU  59          HD11      LEU  59  93.965  10.407   3.780
    7   HD12  LEU  59          HD12      LEU  59  94.962  11.442   2.815
    8   HD13  LEU  59          HD13      LEU  59  95.529   9.848   3.266
    9   HD21  LEU  59          HD21      LEU  59  95.080  12.902   6.179
   10   HD22  LEU  59          HD22      LEU  59  95.093  13.362   4.485
   11   HD23  LEU  59          HD23      LEU  59  93.767  12.420   5.120

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE  60           H        ILE  60  98.239  10.652   7.106
    2    HA   ILE  60           HA       ILE  60  99.231   8.913   9.093
    3    HB   ILE  60           HB       ILE  60 100.170  10.835  10.101
    4   HD11  ILE  60          HD11      ILE  60  98.749  12.930   7.383
    5   HD12  ILE  60          HD12      ILE  60  97.314  12.068   7.947
    6   HD13  ILE  60          HD13      ILE  60  97.563  13.737   8.411

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ASP  61           H        ASP  61  96.404  10.718   8.760
    2    HA   ASP  61           HA       ASP  61  95.633  10.578  11.577
    3    HB2  ASP  61           HB2      ASP  61  95.406  12.658  10.172
    4    HB3  ASP  61           HB3      ASP  61  94.123  11.833   9.289

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLY  62           H        GLY  62  95.501   8.456   9.118
    2    HA2  GLY  62           HA2      GLY  62  93.176   7.123  10.294
    3    HA3  GLY  62           HA3      GLY  62  94.346   6.420   9.208

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  63           H        THR  63  93.407   9.328   7.832
    2    HA   THR  63           HA       THR  63  90.891   8.447   6.720
    3    HB   THR  63           HB       THR  63  92.669  10.558   5.536
    4    HG1  THR  63           HG1      THR  63  91.122  11.874   6.906
    5   HG21  THR  63          HG21      THR  63  90.605   9.652   4.350
    6   HG22  THR  63          HG22      THR  63  89.683  10.405   5.641
    7   HG23  THR  63          HG23      THR  63  90.678  11.400   4.584

  No H/Q in entry =           7
  In of MODEL   10
    1    H    VAL  64           H        VAL  64  90.797   6.752   5.436
    2    HA   VAL  64           HA       VAL  64  93.023   5.909   3.836
    3    HB   VAL  64           HB       VAL  64  90.223   4.824   3.958

  No H/Q in entry =           3
  In of MODEL   10
    1    H    PHE  65           H        PHE  65  93.582   6.605   1.979
    2    HA   PHE  65           HA       PHE  65  91.550   7.921   0.274
    3    HB2  PHE  65           HB2      PHE  65  93.246   9.245  -0.645
    4    HB3  PHE  65           HB3      PHE  65  93.495   9.248   1.097
    5    HD1  PHE  65           HD1      PHE  65  95.218   7.635   2.065
    6    HD2  PHE  65           HD2      PHE  65  94.968   8.576  -2.103
    7    HE1  PHE  65           HE1      PHE  65  97.586   6.950   1.771
    8    HE2  PHE  65           HE2      PHE  65  97.345   7.883  -2.402
    9    HZ   PHE  65           HZ       PHE  65  98.635   7.097  -0.446

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP  66           H        ASP  66  93.353   5.130   0.544
    2    HA   ASP  66           HA       ASP  66  92.486   4.225  -2.040
    3    HB2  ASP  66           HB2      ASP  66  94.881   3.519  -2.707
    4    HB3  ASP  66           HB3      ASP  66  94.409   5.182  -2.972

  No H/Q in entry =           4
  In of MODEL   10
    1    H    SER  67           H        SER  67  92.598   2.002  -2.296
    2    HA   SER  67           HA       SER  67  93.892   0.382  -0.324
    3    HB2  SER  67           HB2      SER  67  91.970  -0.637   0.627
    4    HB3  SER  67           HB3      SER  67  91.800   1.103   0.796
    5    HG   SER  67           HG       SER  67  90.589  -0.609  -1.117

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  68           H        THR  68  94.049  -1.788  -0.843
    2    HA   THR  68           HA       THR  68  92.762  -2.759  -3.270
    3    HB   THR  68           HB       THR  68  95.767  -2.498  -3.159
    4    HG1  THR  68           HG1      THR  68  94.881  -1.222  -5.198
    5   HG21  THR  68          HG21      THR  68  93.878  -3.523  -5.276
    6   HG22  THR  68          HG22      THR  68  95.604  -3.258  -5.521
    7   HG23  THR  68          HG23      THR  68  95.055  -4.458  -4.364

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  69           H        GLU  69  95.237  -3.301  -0.782
    2    HA   GLU  69           HA       GLU  69  95.326  -6.107  -1.089
    3    HB2  GLU  69           HB2      GLU  69  96.389  -6.156   1.082
    4    HB3  GLU  69           HB3      GLU  69  97.064  -4.914   0.044
    5    HG2  GLU  69           HG2      GLU  69  96.828  -3.789   2.051
    6    HG3  GLU  69           HG3      GLU  69  95.408  -3.335   1.136

  No H/Q in entry =           6
  In of MODEL   10
    1    H    LYS  70           H        LYS  70  93.100  -3.980   0.470
    2    HA   LYS  70           HA       LYS  70  91.863  -5.720   2.248
    3    HB2  LYS  70           HB2      LYS  70  90.634  -3.599   0.486
    4    HB3  LYS  70           HB3      LYS  70  89.816  -4.355   1.854
    5    HG2  LYS  70           HG2      LYS  70  92.466  -2.938   2.057
    6    HG3  LYS  70           HG3      LYS  70  90.927  -2.128   2.346
    7    HD2  LYS  70           HD2      LYS  70  90.489  -4.060   4.045
    8    HD3  LYS  70           HD3      LYS  70  92.223  -4.344   3.945
    9    HE2  LYS  70           HE2      LYS  70  92.448  -2.769   5.544
   10    HE3  LYS  70           HE3      LYS  70  92.026  -1.570   4.324
   11    HZ1  LYS  70           HZ1      LYS  70  89.689  -2.839   5.268
   12    HZ2  LYS  70           HZ2      LYS  70  90.586  -2.264   6.592
   13    HZ3  LYS  70           HZ3      LYS  70  90.117  -1.199   5.352

  No H/Q in entry =          13
  In of MODEL   10
    1    H    THR  71           H        THR  71  91.476  -5.187  -1.169
    2    HA   THR  71           HA       THR  71  89.519  -7.255  -1.585
    3    HB   THR  71           HB       THR  71  89.721  -6.676  -3.899
    4    HG1  THR  71           HG1      THR  71  91.602  -4.880  -3.972
    5   HG21  THR  71          HG21      THR  71  88.654  -4.990  -2.392
    6   HG22  THR  71          HG22      THR  71  90.209  -4.167  -2.294
    7   HG23  THR  71          HG23      THR  71  89.365  -4.273  -3.838

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  72           H        GLY  72  92.992  -6.856  -1.805
    2    HA2  GLY  72           HA2      GLY  72  93.402  -9.710  -1.763
    3    HA3  GLY  72           HA3      GLY  72  94.645  -8.471  -1.655

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS  73           H        LYS  73  93.172  -7.263  -4.133
    2    HA   LYS  73           HA       LYS  73  94.139  -9.176  -6.154
    3    HB2  LYS  73           HB2      LYS  73  92.256  -6.858  -6.193
    4    HB3  LYS  73           HB3      LYS  73  93.020  -7.356  -7.703
    5    HG2  LYS  73           HG2      LYS  73  91.780  -9.267  -7.865
    6    HG3  LYS  73           HG3      LYS  73  91.880  -9.613  -6.140
    7    HD2  LYS  73           HD2      LYS  73  90.164  -7.982  -5.664
    8    HD3  LYS  73           HD3      LYS  73  90.090  -7.485  -7.352
    9    HE2  LYS  73           HE2      LYS  73  89.492 -10.260  -6.322
   10    HE3  LYS  73           HE3      LYS  73  88.266  -9.057  -6.698
   11    HZ1  LYS  73           HZ1      LYS  73  89.292  -8.967  -8.978
   12    HZ2  LYS  73           HZ2      LYS  73  90.159 -10.369  -8.561
   13    HZ3  LYS  73           HZ3      LYS  73  88.460 -10.395  -8.598

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  74           HA       PRO  74  97.904  -6.760  -6.256
    2    HB2  PRO  74           HB2      PRO  74  98.513  -8.415  -8.652
    3    HB3  PRO  74           HB3      PRO  74  99.450  -8.158  -7.174
    4    HG2  PRO  74           HG2      PRO  74  98.177 -10.445  -7.626
    5    HG3  PRO  74           HG3      PRO  74  98.299  -9.753  -6.009
    6    HD2  PRO  74           HD2      PRO  74  95.993  -9.744  -7.893
    7    HD3  PRO  74           HD3      PRO  74  96.056  -9.976  -6.140

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  75           H        ALA  75  98.865  -5.216  -7.496
    2    HA   ALA  75           HA       ALA  75  97.495  -4.352  -9.980
    3    HB1  ALA  75           HB1      ALA  75  97.105  -2.958  -7.803
    4    HB2  ALA  75           HB2      ALA  75  97.492  -2.120  -9.301
    5    HB3  ALA  75           HB3      ALA  75  98.746  -2.384  -8.093

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  76           H        THR  76  98.925  -3.390 -11.551
    2    HA   THR  76           HA       THR  76 101.762  -4.083 -11.089
    3    HB   THR  76           HB       THR  76 100.992  -5.377 -12.869
    4    HG1  THR  76           HG1      THR  76 102.398  -4.726 -14.298
    5   HG21  THR  76          HG21      THR  76  99.451  -2.901 -13.625
    6   HG22  THR  76          HG22      THR  76  99.795  -4.139 -14.833
    7   HG23  THR  76          HG23      THR  76  98.867  -4.548 -13.394

  No H/Q in entry =           7
  In of MODEL   10
    1    H    PHE  77           H        PHE  77 103.267  -2.647 -11.091
    2    HA   PHE  77           HA       PHE  77 102.906  -0.085 -12.496
    3    HB2  PHE  77           HB2      PHE  77 104.125  -0.170  -9.735
    4    HB3  PHE  77           HB3      PHE  77 103.710   1.222 -10.688
    5    HD1  PHE  77           HD1      PHE  77 102.633  -1.064  -8.214
    6    HD2  PHE  77           HD2      PHE  77 101.243   1.654 -11.239
    7    HE1  PHE  77           HE1      PHE  77 100.410  -0.988  -7.110
    8    HE2  PHE  77           HE2      PHE  77  99.020   1.741 -10.137
    9    HZ   PHE  77           HZ       PHE  77  98.597   0.418  -8.072

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLN  78           H        GLN  78 104.876   0.859 -13.026
    2    HA   GLN  78           HA       GLN  78 107.141  -0.987 -13.042
    3    HB2  GLN  78           HB2      GLN  78 106.561   1.554 -14.502
    4    HB3  GLN  78           HB3      GLN  78 108.184   0.912 -14.428
    5    HG2  GLN  78           HG2      GLN  78 107.343  -1.222 -15.343
    6    HG3  GLN  78           HG3      GLN  78 105.761  -0.491 -15.531
    7   HE21  GLN  78          HE21      GLN  78 107.919   1.936 -15.973
    8   HE22  GLN  78          HE22      GLN  78 108.109   1.892 -17.656

  No H/Q in entry =           8
  In of MODEL   10
    1    H    VAL  79           H        VAL  79 108.707  -0.768 -11.602
    2    HA   VAL  79           HA       VAL  79 108.500   0.755  -9.359
    3    HB   VAL  79           HB       VAL  79 111.121   0.005 -10.662

  No H/Q in entry =           3
  In of MODEL   10
    1    H    SER  80           H        SER  80 109.851   1.714 -12.501
    2    HA   SER  80           HA       SER  80 111.017   4.117 -11.523
    3    HB2  SER  80           HB2      SER  80 112.007   3.449 -13.509
    4    HB3  SER  80           HB3      SER  80 110.470   2.968 -14.216
    5    HG   SER  80           HG       SER  80 111.711   5.182 -14.643

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLN  81           H        GLN  81 107.832   3.243 -12.565
    2    HA   GLN  81           HA       GLN  81 107.067   6.078 -12.867
    3    HB2  GLN  81           HB2      GLN  81 105.432   3.611 -13.398
    4    HB3  GLN  81           HB3      GLN  81 105.004   5.269 -13.794
    5    HG2  GLN  81           HG2      GLN  81 107.270   3.625 -14.952
    6    HG3  GLN  81           HG3      GLN  81 105.824   4.260 -15.796
    7   HE21  GLN  81          HE21      GLN  81 108.972   4.749 -15.909
    8   HE22  GLN  81          HE22      GLN  81 109.063   6.440 -16.028

  No H/Q in entry =           8
  In of MODEL   10
    1    H    VAL  82           H        VAL  82 106.922   3.652 -10.418
    2    HA   VAL  82           HA       VAL  82 104.377   4.655  -9.360
    3    HB   VAL  82           HB       VAL  82 105.177   2.254  -9.234

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ILE  83           H        ILE  83 104.479   5.080  -6.794
    2    HA   ILE  83           HA       ILE  83 105.578   7.588  -6.529
    3    HB   ILE  83           HB       ILE  83 105.386   6.406  -3.876
    4   HD11  ILE  83          HD11      ILE  83 103.146   6.018  -2.863
    5   HD12  ILE  83          HD12      ILE  83 101.980   6.539  -4.080
    6   HD13  ILE  83          HD13      ILE  83 102.121   4.842  -3.658

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   PRO  84           HA       PRO  84 109.967   7.168  -5.878
    2    HB2  PRO  84           HB2      PRO  84 109.580   8.952  -3.504
    3    HB3  PRO  84           HB3      PRO  84 110.753   9.096  -4.827
    4    HG2  PRO  84           HG2      PRO  84 108.631  10.664  -4.742
    5    HG3  PRO  84           HG3      PRO  84 109.180   9.977  -6.272
    6    HD2  PRO  84           HD2      PRO  84 106.866   9.186  -4.603
    7    HD3  PRO  84           HD3      PRO  84 107.002   9.192  -6.361

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  85           H        GLY  85 108.050   7.230  -2.874
    2    HA2  GLY  85           HA2      GLY  85 108.152   5.864  -1.018
    3    HA3  GLY  85           HA3      GLY  85 109.894   5.872  -1.252

  No H/Q in entry =           3
  In of MODEL   10
    1    H    TRP  86           H        TRP  86 107.224   4.713  -3.208
    2    HA   TRP  86           HA       TRP  86 107.549   1.935  -2.716
    3    HB2  TRP  86           HB2      TRP  86 106.147   3.628  -4.745
    4    HB3  TRP  86           HB3      TRP  86 106.355   1.921  -5.116
    5    HD1  TRP  86           HD1      TRP  86 105.216   3.801  -1.906
    6    HE1  TRP  86           HE1      TRP  86 103.132   2.620  -1.014
    7    HE3  TRP  86           HE3      TRP  86 104.702   0.276  -5.470
    8    HZ2  TRP  86           HZ2      TRP  86 101.464   0.410  -1.744
    9    HZ3  TRP  86           HZ3      TRP  86 102.851  -1.339  -5.382
   10    HH2  TRP  86           HH2      TRP  86 101.220  -1.291  -3.525

  No H/Q in entry =          10
  In of MODEL   10
    1    H    THR  87           H        THR  87 108.955   4.142  -5.090
    2    HA   THR  87           HA       THR  87 110.007   2.374  -6.906
    3    HB   THR  87           HB       THR  87 111.457   4.800  -5.858
    4    HG1  THR  87           HG1      THR  87 109.942   5.152  -8.061
    5   HG21  THR  87          HG21      THR  87 112.523   3.156  -7.565
    6   HG22  THR  87          HG22      THR  87 111.355   3.829  -8.681
    7   HG23  THR  87          HG23      THR  87 112.521   4.872  -7.939

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLU  88           H        GLU  88 111.596   3.596  -3.979
    2    HA   GLU  88           HA       GLU  88 113.868   1.897  -4.237
    3    HB2  GLU  88           HB2      GLU  88 113.706   4.130  -3.015
    4    HB3  GLU  88           HB3      GLU  88 112.957   3.228  -1.695
    5    HG2  GLU  88           HG2      GLU  88 115.296   3.287  -1.188
    6    HG3  GLU  88           HG3      GLU  88 114.971   1.663  -1.794

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ALA  89           H        ALA  89 111.000   1.777  -2.145
    2    HA   ALA  89           HA       ALA  89 111.696  -0.364  -0.534
    3    HB1  ALA  89           HB1      ALA  89 109.006   0.518  -1.536
    4    HB2  ALA  89           HB2      ALA  89 109.785   0.947  -0.015
    5    HB3  ALA  89           HB3      ALA  89 109.233  -0.705  -0.290

  No H/Q in entry =           5
  In of MODEL   10
    1    H    LEU  90           H        LEU  90 109.878  -0.563  -3.638
    2    HA   LEU  90           HA       LEU  90 109.372  -3.315  -3.562
    3    HB2  LEU  90           HB2      LEU  90 109.953  -1.567  -5.973
    4    HB3  LEU  90           HB3      LEU  90 109.195  -3.142  -6.028
    5    HG   LEU  90           HG       LEU  90 108.054  -0.905  -4.361
    6   HD11  LEU  90          HD11      LEU  90 107.756  -1.456  -7.296
    7   HD12  LEU  90          HD12      LEU  90 106.467  -0.690  -6.405
    8   HD13  LEU  90          HD13      LEU  90 108.047   0.072  -6.495
    9   HD21  LEU  90          HD21      LEU  90 107.024  -3.497  -5.472
   10   HD22  LEU  90          HD22      LEU  90 107.085  -2.999  -3.800
   11   HD23  LEU  90          HD23      LEU  90 105.942  -2.255  -4.914

  No H/Q in entry =          11
  In of MODEL   10
    1    H    GLN  91           H        GLN  91 112.141  -1.518  -4.825
    2    HA   GLN  91           HA       GLN  91 113.539  -3.682  -5.923
    3    HB2  GLN  91           HB2      GLN  91 114.594  -1.118  -4.740
    4    HB3  GLN  91           HB3      GLN  91 115.494  -2.208  -5.788
    5    HG2  GLN  91           HG2      GLN  91 113.930  -1.834  -7.605
    6    HG3  GLN  91           HG3      GLN  91 112.895  -0.868  -6.559
    7   HE21  GLN  91          HE21      GLN  91 113.142   1.268  -7.318
    8   HE22  GLN  91          HE22      GLN  91 114.638   2.017  -7.596

  No H/Q in entry =           8
  In of MODEL   10
    1    H    LEU  92           H        LEU  92 113.064  -2.610  -2.679
    2    HA   LEU  92           HA       LEU  92 115.253  -4.315  -1.662
    3    HB2  LEU  92           HB2      LEU  92 113.507  -2.290  -0.256
    4    HB3  LEU  92           HB3      LEU  92 114.831  -3.184   0.487
    5    HG   LEU  92           HG       LEU  92 115.133  -1.282  -1.847
    6   HD11  LEU  92          HD11      LEU  92 114.502  -0.137   0.198
    7   HD12  LEU  92          HD12      LEU  92 115.809  -0.951   1.059
    8   HD13  LEU  92          HD13      LEU  92 116.177   0.200  -0.227
    9   HD21  LEU  92          HD21      LEU  92 117.055  -2.953  -0.262
   10   HD22  LEU  92          HD22      LEU  92 116.928  -2.797  -2.013
   11   HD23  LEU  92          HD23      LEU  92 117.582  -1.475  -1.058

  No H/Q in entry =          11
  In of MODEL   10
    1    H    MET  93           H        MET  93 111.871  -4.321  -2.120
    2    HA   MET  93           HA       MET  93 111.343  -6.095   0.122
    3    HB2  MET  93           HB2      MET  93 109.684  -4.418  -0.515
    4    HB3  MET  93           HB3      MET  93 109.524  -5.173  -2.102
    5    HG2  MET  93           HG2      MET  93 108.562  -7.127  -1.208
    6    HG3  MET  93           HG3      MET  93 109.127  -6.774   0.421
    7    HE1  MET  93           HE1      MET  93 107.271  -5.713  -2.514
    8    HE2  MET  93           HE2      MET  93 105.623  -5.861  -1.920
    9    HE3  MET  93           HE3      MET  93 106.379  -4.277  -2.015

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   PRO  94           HA       PRO  94 112.336  -9.606  -2.697
    2    HB2  PRO  94           HB2      PRO  94 111.926 -11.220  -0.270
    3    HB3  PRO  94           HB3      PRO  94 113.343 -11.139  -1.323
    4    HG2  PRO  94           HG2      PRO  94 113.372 -10.092   1.123
    5    HG3  PRO  94           HG3      PRO  94 114.196  -9.292  -0.231
    6    HD2  PRO  94           HD2      PRO  94 111.531  -8.659   0.977
    7    HD3  PRO  94           HD3      PRO  94 112.839  -7.582   0.515

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  95           H        ALA  95 111.089 -11.156  -3.707
    2    HA   ALA  95           HA       ALA  95 108.304 -10.843  -3.524
    3    HB1  ALA  95           HB1      ALA  95 109.921 -12.949  -4.915
    4    HB2  ALA  95           HB2      ALA  95 108.170 -12.782  -5.066
    5    HB3  ALA  95           HB3      ALA  95 109.224 -11.488  -5.619

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  96           H        GLY  96 106.720 -11.875  -2.599
    2    HA2  GLY  96           HA2      GLY  96 107.260 -14.317  -1.067
    3    HA3  GLY  96           HA3      GLY  96 105.681 -13.614  -1.434

  No H/Q in entry =           3
  In of MODEL   10
    1    H    SER  97           H        SER  97 108.137 -11.416  -0.536
    2    HA   SER  97           HA       SER  97 107.465 -11.456   2.304
    3    HB2  SER  97           HB2      SER  97 109.383 -10.213   2.621
    4    HB3  SER  97           HB3      SER  97 109.805 -11.008   1.106
    5    HG   SER  97           HG       SER  97 108.727  -9.081   0.132

  No H/Q in entry =           5
  In of MODEL   10
    1    H    THR  98           H        THR  98 106.047 -10.198   3.225
    2    HA   THR  98           HA       THR  98 104.771  -8.053   1.671
    3    HB   THR  98           HB       THR  98 103.819  -9.439   4.183
    4    HG1  THR  98           HG1      THR  98 102.303  -9.837   2.032
    5   HG21  THR  98          HG21      THR  98 102.555  -7.428   2.302
    6   HG22  THR  98          HG22      THR  98 101.668  -8.368   3.503
    7   HG23  THR  98          HG23      THR  98 102.913  -7.232   4.015

  No H/Q in entry =           7
  In of MODEL   10
    1    H    TRP  99           H        TRP  99 105.552  -6.088   2.063
    2    HA   TRP  99           HA       TRP  99 106.434  -5.457   4.823
    3    HB2  TRP  99           HB2      TRP  99 107.325  -4.224   2.211
    4    HB3  TRP  99           HB3      TRP  99 107.775  -3.636   3.799
    5    HD1  TRP  99           HD1      TRP  99 107.843  -7.341   3.900
    6    HE1  TRP  99           HE1      TRP  99 110.229  -8.205   3.668
    7    HE3  TRP  99           HE3      TRP  99 110.092  -3.036   2.367
    8    HZ2  TRP  99           HZ2      TRP  99 112.821  -7.165   2.935
    9    HZ3  TRP  99           HZ3      TRP  99 112.532  -2.995   1.920
   10    HH2  TRP  99           HH2      TRP  99 113.898  -5.048   2.207

  No H/Q in entry =          10
  In of MODEL   10
    1    H    GLU 100           H        GLU 100 106.241  -3.217   5.407
    2    HA   GLU 100           HA       GLU 100 103.968  -1.782   4.211
    3    HB2  GLU 100           HB2      GLU 100 104.602  -2.186   7.135
    4    HB3  GLU 100           HB3      GLU 100 103.638  -0.822   6.575
    5    HG2  GLU 100           HG2      GLU 100 102.006  -2.294   5.608
    6    HG3  GLU 100           HG3      GLU 100 102.987  -3.702   5.959

  No H/Q in entry =           6
  In of MODEL   10
    1    H    ILE 101           H        ILE 101 104.549   0.255   3.593
    2    HA   ILE 101           HA       ILE 101 106.999   1.340   4.730
    3    HB   ILE 101           HB       ILE 101 107.916   1.912   2.702
    4   HD11  ILE 101          HD11      ILE 101 107.919   2.610   0.443
    5   HD12  ILE 101          HD12      ILE 101 107.302   1.030  -0.029
    6   HD13  ILE 101          HD13      ILE 101 106.485   2.482  -0.556

  No H/Q in entry =           6
  In of MODEL   10
    1    H    TYR 102           H        TYR 102 107.083   3.354   5.242
    2    HA   TYR 102           HA       TYR 102 104.580   4.905   5.072
    3    HB2  TYR 102           HB2      TYR 102 106.898   5.209   6.988
    4    HB3  TYR 102           HB3      TYR 102 105.350   6.001   7.102
    5    HD1  TYR 102           HD1      TYR 102 106.398   2.383   6.591
    6    HD2  TYR 102           HD2      TYR 102 104.096   5.154   8.911
    7    HE1  TYR 102           HE1      TYR 102 105.541   0.533   7.897
    8    HE2  TYR 102           HE2      TYR 102 103.235   3.272  10.263
    9    HH   TYR 102           HH       TYR 102 103.475   0.078   9.321

  No H/Q in entry =           9
  In of MODEL   10
    1    H    VAL 103           H        VAL 103 104.812   6.094   3.278
    2    HA   VAL 103           HA       VAL 103 107.365   7.049   2.449
    3    HB   VAL 103           HB       VAL 103 104.770   7.598   1.116

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO 104           HA       PRO 104 106.850  11.108   4.376
    2    HB2  PRO 104           HB2      PRO 104 109.053  11.689   2.427
    3    HB3  PRO 104           HB3      PRO 104 108.974  12.046   4.163
    4    HG2  PRO 104           HG2      PRO 104 110.487  10.047   3.164
    5    HG3  PRO 104           HG3      PRO 104 109.740   9.958   4.757
    6    HD2  PRO 104           HD2      PRO 104 109.032   8.523   2.287
    7    HD3  PRO 104           HD3      PRO 104 108.698   8.096   3.978

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER 105           H        SER 105 105.746  12.927   3.611
    2    HA   SER 105           HA       SER 105 104.215  12.780   1.338
    3    HB2  SER 105           HB2      SER 105 103.845  15.184   1.565
    4    HB3  SER 105           HB3      SER 105 103.836  14.413   3.149
    5    HG   SER 105           HG       SER 105 106.341  15.089   2.456

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY 106           H        GLY 106 107.478  14.024   1.688
    2    HA2  GLY 106           HA2      GLY 106 109.044  14.703   0.148
    3    HA3  GLY 106           HA3      GLY 106 107.709  15.245  -0.861

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LEU 107           H        LEU 107 108.097  11.952   0.275
    2    HA   LEU 107           HA       LEU 107 109.048  11.081  -2.382
    3    HB2  LEU 107           HB2      LEU 107 108.890   9.546   0.227
    4    HB3  LEU 107           HB3      LEU 107 109.561   8.935  -1.262
    5    HG   LEU 107           HG       LEU 107 110.622  11.249   0.370
    6   HD11  LEU 107          HD11      LEU 107 111.125   8.949   1.205
    7   HD12  LEU 107          HD12      LEU 107 111.878   8.601  -0.348
    8   HD13  LEU 107          HD13      LEU 107 112.563   9.832   0.701
    9   HD21  LEU 107          HD21      LEU 107 111.260  10.309  -2.405
   10   HD22  LEU 107          HD22      LEU 107 111.128  11.956  -1.795
   11   HD23  LEU 107          HD23      LEU 107 112.548  10.985  -1.413

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ALA 108           H        ALA 108 106.128  11.596  -0.985
    2    HA   ALA 108           HA       ALA 108 104.905   9.149  -2.048
    3    HB1  ALA 108           HB1      ALA 108 103.603  11.204  -0.269
    4    HB2  ALA 108           HB2      ALA 108 103.055   9.574  -0.640
    5    HB3  ALA 108           HB3      ALA 108 104.474   9.821   0.349

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR 109           H        TYR 109 102.682  11.643  -1.602
    2    HA   TYR 109           HA       TYR 109 102.480  11.967  -4.486
    3    HB2  TYR 109           HB2      TYR 109 100.499  12.294  -2.275
    4    HB3  TYR 109           HB3      TYR 109 100.168  12.847  -3.916
    5    HD1  TYR 109           HD1      TYR 109 100.270  10.024  -1.744
    6    HD2  TYR 109           HD2      TYR 109 100.569  11.131  -5.868
    7    HE1  TYR 109           HE1      TYR 109  99.811   7.733  -2.391
    8    HE2  TYR 109           HE2      TYR 109 100.164   8.787  -6.526
    9    HH   TYR 109           HH       TYR 109  99.294   6.376  -4.070

  No H/Q in entry =           9
  In of MODEL   10
    1    H    GLY 110           H        GLY 110 104.040  13.658  -2.214
    2    HA2  GLY 110           HA2      GLY 110 103.454  16.225  -3.582
    3    HA3  GLY 110           HA3      GLY 110 105.040  15.747  -3.019

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO 111           HA       PRO 111 104.289  17.794   0.834
    2    HB2  PRO 111           HB2      PRO 111 105.193  20.266   0.351
    3    HB3  PRO 111           HB3      PRO 111 106.287  18.872   0.283
    4    HG2  PRO 111           HG2      PRO 111 104.902  20.259  -1.974
    5    HG3  PRO 111           HG3      PRO 111 106.618  19.836  -1.817
    6    HD2  PRO 111           HD2      PRO 111 104.881  18.281  -3.201
    7    HD3  PRO 111           HD3      PRO 111 106.230  17.581  -2.284

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ARG 112           H        ARG 112 102.621  18.610  -1.985
    2    HA   ARG 112           HA       ARG 112 100.810  20.499  -0.594
    3    HB2  ARG 112           HB2      ARG 112 102.057  21.017  -2.860
    4    HB3  ARG 112           HB3      ARG 112 100.798  20.011  -3.571
    5    HG2  ARG 112           HG2      ARG 112  99.072  21.445  -2.532
    6    HG3  ARG 112           HG3      ARG 112 100.338  22.460  -1.840
    7    HD2  ARG 112           HD2      ARG 112 101.179  22.848  -4.190
    8    HD3  ARG 112           HD3      ARG 112  99.744  22.016  -4.777
    9    HE   ARG 112           HE       ARG 112  99.842  24.683  -3.627
   10   HH11  ARG 112          HH11      ARG 112  97.954  21.892  -4.389
   11   HH12  ARG 112          HH12      ARG 112  96.452  22.750  -4.476
   12   HH21  ARG 112          HH21      ARG 112  97.875  25.828  -3.735
   13   HH22  ARG 112          HH22      ARG 112  96.409  24.985  -4.107

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER 113           H        SER 113  98.465  20.261  -1.349
    2    HA   SER 113           HA       SER 113  97.646  17.555  -0.897
    3    HB2  SER 113           HB2      SER 113  95.788  19.690  -1.903
    4    HB3  SER 113           HB3      SER 113  95.497  18.427  -0.712
    5    HG   SER 113           HG       SER 113  95.988  20.810  -0.110

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL 114           H        VAL 114  98.321  16.243  -2.549
    2    HA   VAL 114           HA       VAL 114  97.363  16.932  -5.291
    3    HB   VAL 114           HB       VAL 114  99.518  14.935  -4.624

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLY 115           H        GLY 115  95.326  16.042  -3.999
    2    HA2  GLY 115           HA2      GLY 115  95.122  13.204  -3.731
    3    HA3  GLY 115           HA3      GLY 115  94.463  13.750  -5.268

  No H/Q in entry =           3
  In of MODEL   10
    1    H    GLY 116           H        GLY 116  92.551  12.702  -4.109
    2    HA2  GLY 116           HA2      GLY 116  90.486  12.898  -3.098
    3    HA3  GLY 116           HA3      GLY 116  90.622  14.593  -3.507

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO 117           HA       PRO 117  90.371  14.231   1.130
    2    HB2  PRO 117           HB2      PRO 117  91.337  12.007   2.401
    3    HB3  PRO 117           HB3      PRO 117  89.685  12.149   1.791
    4    HG2  PRO 117           HG2      PRO 117  92.055  10.911   0.476
    5    HG3  PRO 117           HG3      PRO 117  90.417  10.287   0.619
    6    HD2  PRO 117           HD2      PRO 117  91.206  11.390  -1.645
    7    HD3  PRO 117           HD3      PRO 117  89.583  11.739  -1.009

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ILE 118           H        ILE 118  93.134  13.461  -0.515
    2    HA   ILE 118           HA       ILE 118  95.110  13.779   1.470
    3    HB   ILE 118           HB       ILE 118  95.448  14.519  -1.438
    4   HD11  ILE 118          HD11      ILE 118  96.069  11.844   0.885
    5   HD12  ILE 118          HD12      ILE 118  94.402  11.343   0.629
    6   HD13  ILE 118          HD13      ILE 118  95.715  10.532  -0.193

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY 119           H        GLY 119  95.700  15.561   2.473
    2    HA2  GLY 119           HA2      GLY 119  95.257  17.733   3.170
    3    HA3  GLY 119           HA3      GLY 119  94.763  18.178   1.539

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO 120           HA       PRO 120  98.774  19.938   0.975
    2    HB2  PRO 120           HB2      PRO 120  99.127  21.739   3.059
    3    HB3  PRO 120           HB3      PRO 120  98.162  22.072   1.619
    4    HG2  PRO 120           HG2      PRO 120  97.260  21.148   4.304
    5    HG3  PRO 120           HG3      PRO 120  96.536  22.347   3.240
    6    HD2  PRO 120           HD2      PRO 120  95.537  19.864   3.464
    7    HD3  PRO 120           HD3      PRO 120  95.542  20.710   1.901

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ASN 121           H        ASN 121 100.938  19.422   1.465
    2    HA   ASN 121           HA       ASN 121 102.625  18.201   2.498
    3    HB2  ASN 121           HB2      ASN 121 102.296  20.482   3.773
    4    HB3  ASN 121           HB3      ASN 121 101.727  19.451   5.082
    5   HD21  ASN 121          HD21      ASN 121 103.564  17.208   4.344
    6   HD22  ASN 121          HD22      ASN 121 105.113  17.714   4.818

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLU 122           H        GLU 122 100.727  16.454   2.122
    2    HA   GLU 122           HA       GLU 122 100.079  15.128   4.668
    3    HB2  GLU 122           HB2      GLU 122  98.506  15.679   2.567
    4    HB3  GLU 122           HB3      GLU 122  99.087  14.113   2.090
    5    HG2  GLU 122           HG2      GLU 122  96.993  13.907   3.246
    6    HG3  GLU 122           HG3      GLU 122  98.279  13.168   4.215

  No H/Q in entry =           6
  In of MODEL   10
    1    H    THR 123           H        THR 123 101.062  13.364   5.310
    2    HA   THR 123           HA       THR 123 103.010  12.049   3.524
    3    HB   THR 123           HB       THR 123 102.524  11.824   6.501
    4    HG1  THR 123           HG1      THR 123 103.683  13.683   5.365
    5   HG21  THR 123          HG21      THR 123 103.294   9.681   5.490
    6   HG22  THR 123          HG22      THR 123 104.660  10.528   4.798
    7   HG23  THR 123          HG23      THR 123 104.501  10.390   6.545

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU 124           H        LEU 124 102.546  10.110   2.632
    2    HA   LEU 124           HA       LEU 124 100.109   8.701   3.592
    3    HB2  LEU 124           HB2      LEU 124 101.408   8.604   0.859
    4    HB3  LEU 124           HB3      LEU 124  99.962   7.740   1.341
    5    HG   LEU 124           HG       LEU 124  99.093   9.591   0.206
    6   HD11  LEU 124          HD11      LEU 124  98.204   9.397   2.577
    7   HD12  LEU 124          HD12      LEU 124  99.232  10.775   2.934
    8   HD13  LEU 124          HD13      LEU 124  97.958  10.932   1.755
    9   HD21  LEU 124          HD21      LEU 124 101.323  10.758   0.067
   10   HD22  LEU 124          HD22      LEU 124  99.926  11.803   0.216
   11   HD23  LEU 124          HD23      LEU 124 100.939  11.485   1.604

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE 125           H        ILE 125 100.106   6.508   3.791
    2    HA   ILE 125           HA       ILE 125 102.701   5.101   3.752
    3    HB   ILE 125           HB       ILE 125 102.215   5.338   6.071
    4   HD11  ILE 125          HD11      ILE 125 101.989   3.817   7.774
    5   HD12  ILE 125          HD12      ILE 125 100.875   2.483   7.567
    6   HD13  ILE 125          HD13      ILE 125 102.596   2.242   7.332

  No H/Q in entry =           6
  In of MODEL   10
    1    H    PHE 126           H        PHE 126 102.602   2.930   3.112
    2    HA   PHE 126           HA       PHE 126  99.985   1.949   2.250
    3    HB2  PHE 126           HB2      PHE 126 102.330   1.582   0.409
    4    HB3  PHE 126           HB3      PHE 126 100.606   1.447   0.065
    5    HD1  PHE 126           HD1      PHE 126  99.558   3.229  -1.022
    6    HD2  PHE 126           HD2      PHE 126 103.118   3.931   1.263
    7    HE1  PHE 126           HE1      PHE 126  99.572   5.595  -1.756
    8    HE2  PHE 126           HE2      PHE 126 103.108   6.283   0.543
    9    HZ   PHE 126           HZ       PHE 126 101.362   7.126  -0.949

  No H/Q in entry =           9
  In of MODEL   10
    1    H    LYS 127           H        LYS 127  99.795  -0.285   2.107
    2    HA   LYS 127           HA       LYS 127 101.922  -1.789   3.434
    3    HB2  LYS 127           HB2      LYS 127  99.404  -3.211   2.834
    4    HB3  LYS 127           HB3      LYS 127 100.281  -3.105   4.339
    5    HG2  LYS 127           HG2      LYS 127  98.454  -0.979   3.250
    6    HG3  LYS 127           HG3      LYS 127  98.041  -2.126   4.513
    7    HD2  LYS 127           HD2      LYS 127  99.831  -1.211   5.953
    8    HD3  LYS 127           HD3      LYS 127 100.237  -0.039   4.716
    9    HE2  LYS 127           HE2      LYS 127  97.974   0.908   4.845
   10    HE3  LYS 127           HE3      LYS 127  97.548  -0.277   6.079
   11    HZ1  LYS 127           HZ1      LYS 127  99.950   1.274   6.585
   12    HZ2  LYS 127           HZ2      LYS 127  98.496   2.145   6.629
   13    HZ3  LYS 127           HZ3      LYS 127  98.711   0.804   7.650

  No H/Q in entry =          13
  In of MODEL   10
    1    H    ILE 128           H        ILE 128 103.187  -3.078   2.122
    2    HA   ILE 128           HA       ILE 128 102.063  -3.559  -0.597
    3    HB   ILE 128           HB       ILE 128 105.033  -3.375  -0.167
    4   HD11  ILE 128          HD11      ILE 128 105.438  -0.972  -1.769
    5   HD12  ILE 128          HD12      ILE 128 105.098   0.359  -0.678
    6   HD13  ILE 128          HD13      ILE 128 106.126  -0.966  -0.147

  No H/Q in entry =           6
  In of MODEL   10
    1    H    HIS 129           H        HIS 129 101.709  -5.475  -1.119
    2    HA   HIS 129           HA       HIS 129 103.220  -7.721   0.109
    3    HB2  HIS 129           HB2      HIS 129 100.878  -7.836   0.713
    4    HB3  HIS 129           HB3      HIS 129 100.399  -7.571  -0.962
    5    HD2  HIS 129           HD2      HIS 129 103.216 -10.214  -0.021
    6    HE1  HIS 129           HE1      HIS 129  99.885 -12.221  -1.690
    7    HE2  HIS 129           HE2      HIS 129 102.296 -12.485  -0.971

  No H/Q in entry =           7
  In of MODEL   10
    1    H    LEU 130           H        LEU 130 104.616  -8.679  -1.292
    2    HA   LEU 130           HA       LEU 130 104.241  -8.127  -4.133
    3    HB2  LEU 130           HB2      LEU 130 106.495  -8.310  -2.496
    4    HB3  LEU 130           HB3      LEU 130 106.544  -9.751  -3.473
    5    HG   LEU 130           HG       LEU 130 106.246  -6.978  -4.573
    6   HD11  LEU 130          HD11      LEU 130 108.633  -8.820  -4.495
    7   HD12  LEU 130          HD12      LEU 130 108.566  -7.349  -5.443
    8   HD13  LEU 130          HD13      LEU 130 108.492  -7.271  -3.684
    9   HD21  LEU 130          HD21      LEU 130 105.204  -8.746  -5.987
   10   HD22  LEU 130          HD22      LEU 130 106.608  -8.054  -6.737
   11   HD23  LEU 130          HD23      LEU 130 106.737  -9.611  -5.963

  No H/Q in entry =          11
  In of MODEL   10
    1    H    ILE 131           H        ILE 131 102.997  -9.443  -5.303
    2    HA   ILE 131           HA       ILE 131 102.820 -12.286  -4.631
    3    HB   ILE 131           HB       ILE 131 101.255 -10.519  -6.534
    4   HD11  ILE 131          HD11      ILE 131 100.231  -9.012  -5.071
    5   HD12  ILE 131          HD12      ILE 131  99.698  -9.479  -3.461
    6   HD13  ILE 131          HD13      ILE 131 101.407  -9.378  -3.812

  No H/Q in entry =           6
  In of MODEL   10
    1    H    SER 132           H        SER 132 103.675 -10.198  -7.427
    2    HA   SER 132           HA       SER 132 105.448 -12.309  -8.406
    3    HB2  SER 132           HB2      SER 132 104.411 -12.700 -10.446
    4    HB3  SER 132           HB3      SER 132 103.010 -12.502  -9.390
    5    HG   SER 132           HG       SER 132 102.590 -11.104 -10.970

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL 133           H        VAL 133 106.956 -11.580 -10.015
    2    HA   VAL 133           HA       VAL 133 107.194  -8.628 -10.238
    3    HB   VAL 133           HB       VAL 133 109.454 -10.602  -9.763

  No H/Q in entry =           3
  In of MODEL   10
    1    H    LYS 134           H        LYS 134 107.797  -7.847 -12.191
    2    HA   LYS 134           HA       LYS 134 107.999  -9.722 -14.419
    3    HB2  LYS 134           HB2      LYS 134 106.514  -7.497 -14.198
    4    HB3  LYS 134           HB3      LYS 134 108.010  -6.791 -14.794
    5    HG2  LYS 134           HG2      LYS 134 106.901  -7.261 -16.798
    6    HG3  LYS 134           HG3      LYS 134 107.910  -8.695 -16.601
    7    HD2  LYS 134           HD2      LYS 134 105.972  -9.814 -15.462
    8    HD3  LYS 134           HD3      LYS 134 104.983  -8.418 -15.874
    9    HE2  LYS 134           HE2      LYS 134 106.512  -9.993 -17.954
   10    HE3  LYS 134           HE3      LYS 134 104.847 -10.370 -17.509
   11    HZ1  LYS 134           HZ1      LYS 134 104.737  -7.718 -17.899
   12    HZ2  LYS 134           HZ2      LYS 134 105.895  -8.166 -19.058
   13    HZ3  LYS 134           HZ3      LYS 134 104.350  -8.872 -19.079

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LYS 135           H        LYS 135 109.279  -7.700 -16.035
    2    HA   LYS 135           HA       LYS 135 111.764  -6.893 -15.037
    3    HB2  LYS 135           HB2      LYS 135 111.680  -9.643 -15.569
    4    HB3  LYS 135           HB3      LYS 135 112.533  -8.972 -16.943
    5    HG2  LYS 135           HG2      LYS 135 113.254  -8.268 -14.097
    6    HG3  LYS 135           HG3      LYS 135 113.923  -9.666 -14.929
    7    HD2  LYS 135           HD2      LYS 135 114.065  -6.978 -16.270
    8    HD3  LYS 135           HD3      LYS 135 115.197  -7.339 -14.976
    9    HE2  LYS 135           HE2      LYS 135 114.796  -9.258 -17.255
   10    HE3  LYS 135           HE3      LYS 135 115.909  -7.903 -17.400
   11    HZ1  LYS 135           HZ1      LYS 135 116.630  -8.872 -15.038
   12    HZ2  LYS 135           HZ2      LYS 135 116.108 -10.308 -15.783
   13    HZ3  LYS 135           HZ3      LYS 135 117.333  -9.374 -16.498

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER 136           H        SER 136 112.867  -5.647 -16.371
    2    HA   SER 136           HA       SER 136 111.670  -5.097 -19.037
    3    HB2  SER 136           HB2      SER 136 111.384  -3.200 -17.599
    4    HB3  SER 136           HB3      SER 136 113.043  -3.330 -17.011
    5    HG   SER 136           HG       SER 136 112.684  -1.708 -18.676

  No H/Q in entry =           5
  In of MODEL   10
    1    H    SER 137           H        SER 137 114.702  -5.022 -17.186
    2    HA   SER 137           HA       SER 137 116.244  -6.351 -19.149
    3    HB2  SER 137           HB2      SER 137 115.983  -4.292 -20.439
    4    HB3  SER 137           HB3      SER 137 116.537  -3.336 -19.069
    5    HG   SER 137           HG       SER 137 118.546  -4.237 -19.271

  No H/Q in entry =           5
  In of MODEL   11
    1    H1   PHE   1           H1       PHE   1  97.284  28.493   2.245
    2    H2   PHE   1           H2       PHE   1  95.810  28.933   1.528
    3    H3   PHE   1           H3       PHE   1  96.086  29.259   3.173
    4    HA   PHE   1           HA       PHE   1  94.815  27.389   3.376
    5    HB2  PHE   1           HB2      PHE   1  96.210  26.284   0.918
    6    HB3  PHE   1           HB3      PHE   1  94.827  25.575   1.748
    7    HD1  PHE   1           HD1      PHE   1  92.599  26.555   1.573
    8    HD2  PHE   1           HD2      PHE   1  95.962  28.304  -0.454
    9    HE1  PHE   1           HE1      PHE   1  91.058  27.926   0.197
   10    HE2  PHE   1           HE2      PHE   1  94.420  29.675  -1.830
   11    HZ   PHE   1           HZ       PHE   1  91.968  29.484  -1.504

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ASN   2           H        ASN   2  97.956  28.057   3.562
    2    HA   ASN   2           HA       ASN   2  99.221  25.581   4.028
    3    HB2  ASN   2           HB2      ASN   2  99.872  28.359   4.976
    4    HB3  ASN   2           HB3      ASN   2 100.901  26.967   5.288
    5   HD21  ASN   2          HD21      ASN   2 100.160  29.399   2.980
    6   HD22  ASN   2          HD22      ASN   2 101.056  28.757   1.689

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS   3           H        LYS   3  97.287  27.665   6.058
    2    HA   LYS   3           HA       LYS   3  97.957  26.938   8.602
    3    HB2  LYS   3           HB2      LYS   3  95.502  27.189   9.149
    4    HB3  LYS   3           HB3      LYS   3  96.218  28.532   8.264
    5    HG2  LYS   3           HG2      LYS   3  94.632  28.289   6.645
    6    HG3  LYS   3           HG3      LYS   3  95.273  26.692   6.277
    7    HD2  LYS   3           HD2      LYS   3  93.830  25.760   8.111
    8    HD3  LYS   3           HD3      LYS   3  93.107  27.358   8.296
    9    HE2  LYS   3           HE2      LYS   3  92.593  27.237   5.790
   10    HE3  LYS   3           HE3      LYS   3  93.016  25.531   5.907
   11    HZ1  LYS   3           HZ1      LYS   3  91.106  26.648   7.827
   12    HZ2  LYS   3           HZ2      LYS   3  90.571  26.302   6.253
   13    HZ3  LYS   3           HZ3      LYS   3  91.223  25.068   7.222

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LYS   4           H        LYS   4  95.961  25.032   6.343
    2    HA   LYS   4           HA       LYS   4  95.429  22.955   8.232
    3    HB2  LYS   4           HB2      LYS   4  94.280  23.598   5.919
    4    HB3  LYS   4           HB3      LYS   4  95.387  22.388   5.295
    5    HG2  LYS   4           HG2      LYS   4  93.396  21.991   7.542
    6    HG3  LYS   4           HG3      LYS   4  93.211  21.399   5.897
    7    HD2  LYS   4           HD2      LYS   4  95.418  20.125   6.284
    8    HD3  LYS   4           HD3      LYS   4  95.189  20.519   7.993
    9    HE2  LYS   4           HE2      LYS   4  92.896  19.521   7.880
   10    HE3  LYS   4           HE3      LYS   4  93.255  18.983   6.240
   11    HZ1  LYS   4           HZ1      LYS   4  94.876  18.263   8.617
   12    HZ2  LYS   4           HZ2      LYS   4  93.645  17.287   7.978
   13    HZ3  LYS   4           HZ3      LYS   4  95.023  17.633   7.045

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ALA   5           H        ALA   5  97.801  23.520   5.724
    2    HA   ALA   5           HA       ALA   5  99.065  21.088   5.459
    3    HB1  ALA   5           HB1      ALA   5 100.868  22.296   4.553
    4    HB2  ALA   5           HB2      ALA   5 100.597  23.668   5.606
    5    HB3  ALA   5           HB3      ALA   5  99.489  23.350   4.283

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASP   6           H        ASP   6  99.316  23.446   7.982
    2    HA   ASP   6           HA       ASP   6 101.595  22.465   9.284
    3    HB2  ASP   6           HB2      ASP   6  99.213  23.996  10.239
    4    HB3  ASP   6           HB3      ASP   6 100.584  23.618  11.272

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLU   7           H        GLU   7  98.148  21.567   9.568
    2    HA   GLU   7           HA       GLU   7  98.468  19.892  11.843
    3    HB2  GLU   7           HB2      GLU   7  96.412  19.432   9.737
    4    HB3  GLU   7           HB3      GLU   7  96.271  19.192  11.473
    5    HG2  GLU   7           HG2      GLU   7  96.568  21.688  11.723
    6    HG3  GLU   7           HG3      GLU   7  96.374  21.800   9.975

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ASN   8           H        ASN   8  98.309  19.218   8.416
    2    HA   ASN   8           HA       ASN   8  98.687  16.415   8.543
    3    HB2  ASN   8           HB2      ASN   8  99.601  18.283   6.359
    4    HB3  ASN   8           HB3      ASN   8  99.153  16.587   6.189
    5   HD21  ASN   8          HD21      ASN   8  97.819  18.474   4.660
    6   HD22  ASN   8          HD22      ASN   8  96.222  18.620   5.208

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS   9           H        LYS   9 100.741  19.163   8.487
    2    HA   LYS   9           HA       LYS   9 103.250  17.887   8.144
    3    HB2  LYS   9           HB2      LYS   9 103.244  20.163   7.667
    4    HB3  LYS   9           HB3      LYS   9 102.227  20.516   9.030
    5    HG2  LYS   9           HG2      LYS   9 104.045  20.312  10.565
    6    HG3  LYS   9           HG3      LYS   9 105.099  19.711   9.290
    7    HD2  LYS   9           HD2      LYS   9 104.782  21.899   8.100
    8    HD3  LYS   9           HD3      LYS   9 103.887  22.469   9.502
    9    HE2  LYS   9           HE2      LYS   9 105.826  22.147  10.941
   10    HE3  LYS   9           HE3      LYS   9 106.741  21.465   9.595
   11    HZ1  LYS   9           HZ1      LYS   9 105.697  23.922   8.778
   12    HZ2  LYS   9           HZ2      LYS   9 106.426  24.160  10.292
   13    HZ3  LYS   9           HZ3      LYS   9 107.326  23.498   9.011

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  10           H        VAL  10 101.613  19.095  11.121
    2    HA   VAL  10           HA       VAL  10 103.685  18.171  12.826
    3    HB   VAL  10           HB       VAL  10 100.828  18.915  13.412

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  11           H        LYS  11 100.505  16.777  12.040
    2    HA   LYS  11           HA       LYS  11 100.865  14.481  13.630
    3    HB2  LYS  11           HB2      LYS  11  99.144  15.056  11.255
    4    HB3  LYS  11           HB3      LYS  11  99.178  13.476  12.005
    5    HG2  LYS  11           HG2      LYS  11  97.385  14.500  13.102
    6    HG3  LYS  11           HG3      LYS  11  98.707  14.762  14.231
    7    HD2  LYS  11           HD2      LYS  11  99.063  17.012  13.089
    8    HD3  LYS  11           HD3      LYS  11  97.530  16.741  12.265
    9    HE2  LYS  11           HE2      LYS  11  98.074  17.191  15.185
   10    HE3  LYS  11           HE3      LYS  11  96.857  17.944  14.155
   11    HZ1  LYS  11           HZ1      LYS  11  96.725  15.049  14.625
   12    HZ2  LYS  11           HZ2      LYS  11  96.201  16.098  15.852
   13    HZ3  LYS  11           HZ3      LYS  11  95.472  16.149  14.317

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLY  12           H        GLY  12 101.670  15.366  10.368
    2    HA2  GLY  12           HA2      GLY  12 102.956  14.331   8.751
    3    HA3  GLY  12           HA3      GLY  12 102.652  12.814   9.563

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  13           H        GLU  13 104.269  15.725  10.860
    2    HA   GLU  13           HA       GLU  13 106.907  14.699  10.593
    3    HB2  GLU  13           HB2      GLU  13 105.688  16.796  12.392
    4    HB3  GLU  13           HB3      GLU  13 107.369  16.305  12.587
    5    HG2  GLU  13           HG2      GLU  13 107.836  16.886  10.264
    6    HG3  GLU  13           HG3      GLU  13 106.159  17.353  10.022

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  14           H        ALA  14 104.377  14.329  12.926
    2    HA   ALA  14           HA       ALA  14 105.931  12.992  14.896
    3    HB1  ALA  14           HB1      ALA  14 103.787  14.308  15.289
    4    HB2  ALA  14           HB2      ALA  14 102.935  12.917  14.619
    5    HB3  ALA  14           HB3      ALA  14 103.897  12.742  16.088

  No H/Q in entry =           5
  In of MODEL   11
    1    H    PHE  15           H        PHE  15 103.917  12.173  12.207
    2    HA   PHE  15           HA       PHE  15 103.526   9.425  12.659
    3    HB2  PHE  15           HB2      PHE  15 102.366  10.931  11.016
    4    HB3  PHE  15           HB3      PHE  15 103.811  10.865  10.028
    5    HD1  PHE  15           HD1      PHE  15 104.259   9.037   8.634
    6    HD2  PHE  15           HD2      PHE  15 101.123   8.804  11.549
    7    HE1  PHE  15           HE1      PHE  15 103.388   6.983   7.550
    8    HE2  PHE  15           HE2      PHE  15 100.281   6.727  10.487
    9    HZ   PHE  15           HZ       PHE  15 101.416   5.833   8.480

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LEU  16           H        LEU  16 105.972  11.114  10.684
    2    HA   LEU  16           HA       LEU  16 107.386   8.688  10.092
    3    HB2  LEU  16           HB2      LEU  16 108.231  11.586   9.891
    4    HB3  LEU  16           HB3      LEU  16 109.265  10.248   9.432
    5    HG   LEU  16           HG       LEU  16 107.145   9.532   7.974
    6   HD11  LEU  16          HD11      LEU  16 106.735  12.481   8.496
    7   HD12  LEU  16          HD12      LEU  16 106.233  11.765   6.967
    8   HD13  LEU  16          HD13      LEU  16 105.544  11.185   8.486
    9   HD21  LEU  16          HD21      LEU  16 109.258  11.587   7.365
   10   HD22  LEU  16          HD22      LEU  16 109.215   9.882   6.952
   11   HD23  LEU  16          HD23      LEU  16 108.148  11.006   6.127

  No H/Q in entry =          11
  In of MODEL   11
    1    H    THR  17           H        THR  17 107.704  11.236  12.473
    2    HA   THR  17           HA       THR  17 110.140  10.387  13.588
    3    HB   THR  17           HB       THR  17 107.848  11.772  14.962
    4    HG1  THR  17           HG1      THR  17 108.929  12.748  13.058
    5   HG21  THR  17          HG21      THR  17 110.722  11.322  15.705
    6   HG22  THR  17          HG22      THR  17 109.709  12.561  16.451
    7   HG23  THR  17          HG23      THR  17 109.279  10.862  16.612

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  18           H        GLU  18 106.806   9.549  14.240
    2    HA   GLU  18           HA       GLU  18 107.404   7.785  16.370
    3    HB2  GLU  18           HB2      GLU  18 105.274   8.993  16.203
    4    HB3  GLU  18           HB3      GLU  18 104.895   8.074  14.754
    5    HG2  GLU  18           HG2      GLU  18 104.858   6.001  15.984
    6    HG3  GLU  18           HG3      GLU  18 105.463   6.797  17.436

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ASN  19           H        ASN  19 106.441   7.310  12.971
    2    HA   ASN  19           HA       ASN  19 106.312   4.520  13.031
    3    HB2  ASN  19           HB2      ASN  19 105.499   5.857  11.150
    4    HB3  ASN  19           HB3      ASN  19 107.160   6.238  10.712
    5   HD21  ASN  19          HD21      ASN  19 107.635   4.997   8.924
    6   HD22  ASN  19          HD22      ASN  19 107.301   3.346   8.769

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  20           H        LYS  20 109.136   6.533  12.252
    2    HA   LYS  20           HA       LYS  20 110.815   4.370  11.591
    3    HB2  LYS  20           HB2      LYS  20 112.696   5.854  12.044
    4    HB3  LYS  20           HB3      LYS  20 111.449   6.729  11.169
    5    HG2  LYS  20           HG2      LYS  20 110.594   7.433  13.506
    6    HG3  LYS  20           HG3      LYS  20 112.147   6.861  14.103
    7    HD2  LYS  20           HD2      LYS  20 111.861   8.916  11.893
    8    HD3  LYS  20           HD3      LYS  20 112.097   9.324  13.592
    9    HE2  LYS  20           HE2      LYS  20 114.181   7.839  13.506
   10    HE3  LYS  20           HE3      LYS  20 113.991   7.894  11.759
   11    HZ1  LYS  20           HZ1      LYS  20 113.778  10.464  13.008
   12    HZ2  LYS  20           HZ2      LYS  20 115.298   9.736  13.225
   13    HZ3  LYS  20           HZ3      LYS  20 114.694   9.985  11.660

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ASN  21           H        ASN  21 109.730   5.666  14.614
    2    HA   ASN  21           HA       ASN  21 111.614   4.179  16.235
    3    HB2  ASN  21           HB2      ASN  21 109.296   5.993  16.805
    4    HB3  ASN  21           HB3      ASN  21 110.010   5.029  18.088
    5   HD21  ASN  21          HD21      ASN  21 110.904   7.434  15.568
    6   HD22  ASN  21          HD22      ASN  21 112.212   8.076  16.440

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  22           H        LYS  22 108.348   3.737  15.053
    2    HA   LYS  22           HA       LYS  22 107.501   1.850  16.878
    3    HB2  LYS  22           HB2      LYS  22 106.821   2.320  14.025
    4    HB3  LYS  22           HB3      LYS  22 106.028   1.047  14.934
    5    HG2  LYS  22           HG2      LYS  22 105.633   3.051  16.683
    6    HG3  LYS  22           HG3      LYS  22 105.810   4.022  15.235
    7    HD2  LYS  22           HD2      LYS  22 103.860   1.721  15.515
    8    HD3  LYS  22           HD3      LYS  22 103.440   3.422  15.708
    9    HE2  LYS  22           HE2      LYS  22 104.044   3.895  13.414
   10    HE3  LYS  22           HE3      LYS  22 104.683   2.265  13.205
   11    HZ1  LYS  22           HZ1      LYS  22 101.959   2.370  14.146
   12    HZ2  LYS  22           HZ2      LYS  22 102.181   3.004  12.585
   13    HZ3  LYS  22           HZ3      LYS  22 102.654   1.412  12.928

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  23           HA       PRO  23 109.979  -1.785  16.150
    2    HB2  PRO  23           HB2      PRO  23 107.488  -3.412  16.362
    3    HB3  PRO  23           HB3      PRO  23 108.997  -3.536  17.285
    4    HG2  PRO  23           HG2      PRO  23 106.798  -2.499  18.368
    5    HG3  PRO  23           HG3      PRO  23 108.410  -1.852  18.732
    6    HD2  PRO  23           HD2      PRO  23 106.281  -0.709  16.951
    7    HD3  PRO  23           HD3      PRO  23 107.433   0.107  18.030

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  24           H        GLY  24 110.545  -3.228  14.541
    2    HA2  GLY  24           HA2      GLY  24 108.755  -4.020  12.445
    3    HA3  GLY  24           HA3      GLY  24 110.460  -4.422  12.560

  No H/Q in entry =           3
  In of MODEL   11
    1    H    VAL  25           H        VAL  25 109.643  -1.082  12.792
    2    HA   VAL  25           HA       VAL  25 109.827  -0.601   9.932
    3    HB   VAL  25           HB       VAL  25 109.799   1.387  12.210

  No H/Q in entry =           3
  In of MODEL   11
    1    H    VAL  26           H        VAL  26 111.518   0.141   8.828
    2    HA   VAL  26           HA       VAL  26 114.052   0.768  10.255
    3    HB   VAL  26           HB       VAL  26 113.632  -0.754   7.674

  No H/Q in entry =           3
  In of MODEL   11
    1    H    VAL  27           H        VAL  27 114.727   2.810   9.857
    2    HA   VAL  27           HA       VAL  27 113.418   4.274   7.680
    3    HB   VAL  27           HB       VAL  27 113.161   5.260   9.898

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  28           H        LEU  28 114.382   5.492   6.223
    2    HA   LEU  28           HA       LEU  28 117.241   4.885   5.780
    3    HB2  LEU  28           HB2      LEU  28 115.071   5.573   3.798
    4    HB3  LEU  28           HB3      LEU  28 116.729   5.238   3.378
    5    HG   LEU  28           HG       LEU  28 114.890   3.282   4.756
    6   HD11  LEU  28          HD11      LEU  28 114.338   3.911   2.367
    7   HD12  LEU  28          HD12      LEU  28 115.917   3.294   1.912
    8   HD13  LEU  28          HD13      LEU  28 114.718   2.210   2.603
    9   HD21  LEU  28          HD21      LEU  28 117.750   3.168   3.764
   10   HD22  LEU  28          HD22      LEU  28 117.129   2.710   5.350
   11   HD23  LEU  28          HD23      LEU  28 116.779   1.714   3.945

  No H/Q in entry =          11
  In of MODEL   11
    1    HA   PRO  29           HA       PRO  29 118.366   9.110   5.824
    2    HB2  PRO  29           HB2      PRO  29 119.545   8.937   3.105
    3    HB3  PRO  29           HB3      PRO  29 120.326   9.382   4.632
    4    HG2  PRO  29           HG2      PRO  29 120.789   7.028   3.530
    5    HG3  PRO  29           HG3      PRO  29 120.580   7.165   5.290
    6    HD2  PRO  29           HD2      PRO  29 118.609   6.281   3.218
    7    HD3  PRO  29           HD3      PRO  29 118.983   5.531   4.781

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  30           H        SER  30 116.807   7.981   2.894
    2    HA   SER  30           HA       SER  30 116.080  10.521   1.855
    3    HB2  SER  30           HB2      SER  30 114.512   7.985   1.386
    4    HB3  SER  30           HB3      SER  30 114.783   9.339   0.286
    5    HG   SER  30           HG       SER  30 116.446   7.208   0.980

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  31           H        GLY  31 115.033   8.710   4.494
    2    HA2  GLY  31           HA2      GLY  31 112.771  10.524   4.939
    3    HA3  GLY  31           HA3      GLY  31 113.533   9.498   6.147

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU  32           H        LEU  32 113.277   7.664   3.434
    2    HA   LEU  32           HA       LEU  32 110.502   6.935   3.679
    3    HB2  LEU  32           HB2      LEU  32 111.697   6.838   1.495
    4    HB3  LEU  32           HB3      LEU  32 112.748   5.598   2.134
    5    HG   LEU  32           HG       LEU  32 110.758   4.890   0.632
    6   HD11  LEU  32          HD11      LEU  32 112.151   3.364   2.034
    7   HD12  LEU  32          HD12      LEU  32 110.913   3.472   3.268
    8   HD13  LEU  32          HD13      LEU  32 110.526   2.801   1.697
    9   HD21  LEU  32          HD21      LEU  32 109.103   6.257   1.860
   10   HD22  LEU  32          HD22      LEU  32 108.624   4.580   1.683
   11   HD23  LEU  32          HD23      LEU  32 109.222   5.159   3.223

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLN  33           H        GLN  33 109.714   5.280   4.892
    2    HA   GLN  33           HA       GLN  33 111.648   3.557   6.332
    3    HB2  GLN  33           HB2      GLN  33 109.005   4.694   7.251
    4    HB3  GLN  33           HB3      GLN  33 109.964   3.539   8.145
    5    HG2  GLN  33           HG2      GLN  33 110.941   5.372   9.089
    6    HG3  GLN  33           HG3      GLN  33 111.803   5.477   7.586
    7   HE21  GLN  33          HE21      GLN  33 111.452   7.790   8.993
    8   HE22  GLN  33          HE22      GLN  33 110.360   8.768   8.144

  No H/Q in entry =           8
  In of MODEL   11
    1    H    TYR  34           H        TYR  34 111.196   1.406   6.500
    2    HA   TYR  34           HA       TYR  34 108.673   0.419   5.394
    3    HB2  TYR  34           HB2      TYR  34 109.776  -1.285   4.069
    4    HB3  TYR  34           HB3      TYR  34 110.265   0.314   3.528
    5    HD1  TYR  34           HD1      TYR  34 111.262  -2.542   5.648
    6    HD2  TYR  34           HD2      TYR  34 112.559   0.986   3.606
    7    HE1  TYR  34           HE1      TYR  34 113.620  -3.170   6.090
    8    HE2  TYR  34           HE2      TYR  34 114.917   0.369   4.043
    9    HH   TYR  34           HH       TYR  34 116.298  -1.225   4.789

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS  35           H        LYS  35 107.909  -1.393   6.193
    2    HA   LYS  35           HA       LYS  35 109.427  -2.673   8.362
    3    HB2  LYS  35           HB2      LYS  35 107.698  -1.164   9.218
    4    HB3  LYS  35           HB3      LYS  35 106.475  -2.034   8.330
    5    HG2  LYS  35           HG2      LYS  35 108.194  -3.708  10.022
    6    HG3  LYS  35           HG3      LYS  35 107.233  -2.559  10.927
    7    HD2  LYS  35           HD2      LYS  35 105.215  -3.392   9.747
    8    HD3  LYS  35           HD3      LYS  35 106.217  -4.609   8.953
    9    HE2  LYS  35           HE2      LYS  35 105.123  -5.526  10.965
   10    HE3  LYS  35           HE3      LYS  35 106.870  -5.500  11.139
   11    HZ1  LYS  35           HZ1      LYS  35 105.515  -3.102  12.010
   12    HZ2  LYS  35           HZ2      LYS  35 105.164  -4.486  12.931
   13    HZ3  LYS  35           HZ3      LYS  35 106.773  -3.967  12.751

  No H/Q in entry =          13
  In of MODEL   11
    1    H    VAL  36           H        VAL  36 109.494  -4.787   8.266
    2    HA   VAL  36           HA       VAL  36 108.164  -6.068   5.992
    3    HB   VAL  36           HB       VAL  36 110.489  -6.506   6.173

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ILE  37           H        ILE  37 106.151  -6.608   6.327
    2    HA   ILE  37           HA       ILE  37 105.111  -7.496   8.842
    3    HB   ILE  37           HB       ILE  37 103.871  -8.042   6.141
    4   HD11  ILE  37          HD11      ILE  37 104.156  -5.604   8.835
    5   HD12  ILE  37          HD12      ILE  37 104.044  -4.168   7.856
    6   HD13  ILE  37          HD13      ILE  37 102.590  -5.053   8.299

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ASN  38           H        ASN  38 106.151  -9.006   5.866
    2    HA   ASN  38           HA       ASN  38 106.458 -11.591   7.239
    3    HB2  ASN  38           HB2      ASN  38 105.056 -11.107   4.624
    4    HB3  ASN  38           HB3      ASN  38 105.532 -12.685   5.186
    5   HD21  ASN  38          HD21      ASN  38 103.458  -9.897   6.035
    6   HD22  ASN  38          HD22      ASN  38 102.375 -10.796   6.985

  No H/Q in entry =           6
  In of MODEL   11
    1    H    SER  39           H        SER  39 108.443 -12.399   6.822
    2    HA   SER  39           HA       SER  39 110.099 -11.127   4.776
    3    HB2  SER  39           HB2      SER  39 111.929 -12.206   5.789
    4    HB3  SER  39           HB3      SER  39 110.912 -11.659   7.118
    5    HG   SER  39           HG       SER  39 110.590 -13.666   7.651

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  40           H        GLY  40 110.419 -11.975   2.817
    2    HA2  GLY  40           HA2      GLY  40 109.437 -13.494   1.166
    3    HA3  GLY  40           HA3      GLY  40 109.662 -14.790   2.328

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASN  41           H        ASN  41 111.953 -12.208   1.690
    2    HA   ASN  41           HA       ASN  41 114.084 -12.219   0.838
    3    HB2  ASN  41           HB2      ASN  41 114.007 -15.101   1.735
    4    HB3  ASN  41           HB3      ASN  41 115.454 -14.135   1.444
    5   HD21  ASN  41          HD21      ASN  41 113.164 -12.049   2.702
    6   HD22  ASN  41          HD22      ASN  41 113.591 -12.139   4.343

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  42           H        GLY  42 111.852 -12.843  -0.939
    2    HA2  GLY  42           HA2      GLY  42 111.373 -13.966  -2.931
    3    HA3  GLY  42           HA3      GLY  42 112.915 -14.795  -2.827

  No H/Q in entry =           3
  In of MODEL   11
    1    H    VAL  43           H        VAL  43 111.937 -13.702  -5.113
    2    HA   VAL  43           HA       VAL  43 114.073 -12.020  -5.949
    3    HB   VAL  43           HB       VAL  43 113.022 -12.055  -8.123

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  44           H        LYS  44 113.222 -10.100  -7.446
    2    HA   LYS  44           HA       LYS  44 111.083  -8.529  -6.738
    3    HB2  LYS  44           HB2      LYS  44 111.840  -6.892  -5.189
    4    HB3  LYS  44           HB3      LYS  44 112.188  -8.429  -4.471
    5    HG2  LYS  44           HG2      LYS  44 114.369  -7.159  -6.088
    6    HG3  LYS  44           HG3      LYS  44 113.995  -6.459  -4.532
    7    HD2  LYS  44           HD2      LYS  44 114.303  -9.435  -4.624
    8    HD3  LYS  44           HD3      LYS  44 115.765  -8.474  -4.799
    9    HE2  LYS  44           HE2      LYS  44 115.449  -7.446  -2.654
   10    HE3  LYS  44           HE3      LYS  44 113.801  -8.027  -2.530
   11    HZ1  LYS  44           HZ1      LYS  44 115.553 -10.190  -2.977
   12    HZ2  LYS  44           HZ2      LYS  44 116.117  -9.275  -1.662
   13    HZ3  LYS  44           HZ3      LYS  44 114.542  -9.902  -1.652

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  45           HA       PRO  45 112.819  -6.422 -10.168
    2    HB2  PRO  45           HB2      PRO  45 111.182  -4.249 -10.300
    3    HB3  PRO  45           HB3      PRO  45 110.653  -5.888 -10.665
    4    HG2  PRO  45           HG2      PRO  45 110.041  -4.192  -8.346
    5    HG3  PRO  45           HG3      PRO  45 109.202  -5.609  -8.968
    6    HD2  PRO  45           HD2      PRO  45 111.013  -5.489  -6.737
    7    HD3  PRO  45           HD3      PRO  45 110.095  -6.888  -7.355

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  46           H        GLY  46 113.952  -4.709 -11.039
    2    HA2  GLY  46           HA2      GLY  46 115.779  -3.236 -10.837
    3    HA3  GLY  46           HA3      GLY  46 115.396  -3.030  -9.129

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  47           H        LYS  47 115.802  -0.767 -10.050
    2    HA   LYS  47           HA       LYS  47 113.483   0.697  -9.888
    3    HB2  LYS  47           HB2      LYS  47 114.725   2.619 -10.610
    4    HB3  LYS  47           HB3      LYS  47 115.763   1.640  -9.587
    5    HG2  LYS  47           HG2      LYS  47 115.792   1.336 -12.603
    6    HG3  LYS  47           HG3      LYS  47 116.730   2.584 -11.813
    7    HD2  LYS  47           HD2      LYS  47 118.358   1.089 -11.323
    8    HD3  LYS  47           HD3      LYS  47 117.236   0.096 -10.420
    9    HE2  LYS  47           HE2      LYS  47 118.277  -1.191 -12.194
   10    HE3  LYS  47           HE3      LYS  47 116.562  -1.000 -12.550
   11    HZ1  LYS  47           HZ1      LYS  47 118.519   0.940 -13.586
   12    HZ2  LYS  47           HZ2      LYS  47 118.295  -0.542 -14.386
   13    HZ3  LYS  47           HZ3      LYS  47 116.993   0.532 -14.200

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  48           H        SER  48 114.779  -0.967 -12.571
    2    HA   SER  48           HA       SER  48 112.951   0.469 -14.411
    3    HB2  SER  48           HB2      SER  48 115.469  -1.115 -14.823
    4    HB3  SER  48           HB3      SER  48 114.387  -0.756 -16.167
    5    HG   SER  48           HG       SER  48 116.051   0.827 -15.831

  No H/Q in entry =           5
  In of MODEL   11
    1    H    ASP  49           H        ASP  49 113.131  -2.493 -12.714
    2    HA   ASP  49           HA       ASP  49 111.750  -4.028 -14.800
    3    HB2  ASP  49           HB2      ASP  49 112.484  -4.667 -11.970
    4    HB3  ASP  49           HB3      ASP  49 111.614  -5.769 -13.005

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR  50           H        THR  50 109.633  -5.139 -14.121
    2    HA   THR  50           HA       THR  50 107.901  -3.116 -12.848
    3    HB   THR  50           HB       THR  50 106.956  -5.256 -14.719
    4    HG1  THR  50           HG1      THR  50 108.445  -3.157 -15.284
    5   HG21  THR  50          HG21      THR  50 105.758  -2.735 -13.617
    6   HG22  THR  50          HG22      THR  50 105.118  -3.573 -15.030
    7   HG23  THR  50          HG23      THR  50 105.167  -4.405 -13.477

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  51           H        VAL  51 106.251  -3.763 -11.464
    2    HA   VAL  51           HA       VAL  51 106.736  -6.387 -10.183
    3    HB   VAL  51           HB       VAL  51 107.680  -4.310  -9.049

  No H/Q in entry =           3
  In of MODEL   11
    1    H    THR  52           H        THR  52 104.980  -7.215  -8.868
    2    HA   THR  52           HA       THR  52 102.295  -6.158  -9.634
    3    HB   THR  52           HB       THR  52 103.112  -9.055  -9.337
    4    HG1  THR  52           HG1      THR  52 102.301  -8.833 -11.672
    5   HG21  THR  52          HG21      THR  52 100.502  -7.655  -9.743
    6   HG22  THR  52          HG22      THR  52 100.758  -9.235 -10.473
    7   HG23  THR  52          HG23      THR  52 100.885  -9.058  -8.737

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  53           H        VAL  53 101.277  -5.476  -7.770
    2    HA   VAL  53           HA       VAL  53 101.738  -6.994  -5.270
    3    HB   VAL  53           HB       VAL  53 102.269  -4.901  -4.149

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLU  54           H        GLU  54 100.313  -6.361  -3.480
    2    HA   GLU  54           HA       GLU  54  97.830  -4.918  -4.322
    3    HB2  GLU  54           HB2      GLU  54  97.776  -6.890  -2.025
    4    HB3  GLU  54           HB3      GLU  54  96.465  -6.222  -2.975
    5    HG2  GLU  54           HG2      GLU  54  96.641  -7.758  -4.625
    6    HG3  GLU  54           HG3      GLU  54  98.368  -7.907  -4.493

  No H/Q in entry =           6
  In of MODEL   11
    1    H    TYR  55           H        TYR  55  97.010  -3.405  -2.619
    2    HA   TYR  55           HA       TYR  55  98.601  -3.176  -0.213
    3    HB2  TYR  55           HB2      TYR  55  99.425  -0.891  -0.872
    4    HB3  TYR  55           HB3      TYR  55 100.103  -2.206  -1.835
    5    HD1  TYR  55           HD1      TYR  55  97.557   0.491  -1.808
    6    HD2  TYR  55           HD2      TYR  55  99.538  -2.492  -4.151
    7    HE1  TYR  55           HE1      TYR  55  96.533   1.433  -3.852
    8    HE2  TYR  55           HE2      TYR  55  98.524  -1.549  -6.196
    9    HH   TYR  55           HH       TYR  55  96.055   0.913  -6.069

  No H/Q in entry =           9
  In of MODEL   11
    1    H    THR  56           H        THR  56  98.056  -1.334   1.153
    2    HA   THR  56           HA       THR  56  95.474  -0.091   0.574
    3    HB   THR  56           HB       THR  56  96.199  -1.475   3.098
    4    HG1  THR  56           HG1      THR  56  94.533  -2.571   2.539
    5   HG21  THR  56          HG21      THR  56  94.257   0.832   2.838
    6   HG22  THR  56          HG22      THR  56  94.357  -0.240   4.233
    7   HG23  THR  56          HG23      THR  56  95.709   0.814   3.834

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  57           H        GLY  57  95.423   2.048   0.704
    2    HA2  GLY  57           HA2      GLY  57  96.916   3.987   0.492
    3    HA3  GLY  57           HA3      GLY  57  97.847   3.348   1.837

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ARG  58           H        ARG  58  97.648   4.905   3.388
    2    HA   ARG  58           HA       ARG  58  95.053   6.122   3.827
    3    HB2  ARG  58           HB2      ARG  58  94.688   5.407   6.006
    4    HB3  ARG  58           HB3      ARG  58  95.186   3.946   5.164
    5    HG2  ARG  58           HG2      ARG  58  97.397   4.031   6.088
    6    HG3  ARG  58           HG3      ARG  58  97.167   5.653   6.724
    7    HD2  ARG  58           HD2      ARG  58  96.849   4.383   8.628
    8    HD3  ARG  58           HD3      ARG  58  95.201   4.551   8.056
    9    HE   ARG  58           HE       ARG  58  96.026   2.256   6.849
   10   HH11  ARG  58          HH11      ARG  58  96.053   3.476  10.082
   11   HH12  ARG  58          HH12      ARG  58  95.932   1.918  10.825
   12   HH21  ARG  58          HH21      ARG  58  95.850   0.200   7.812
   13   HH22  ARG  58          HH22      ARG  58  95.802   0.061   9.538

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  59           H        LEU  59  95.067   7.723   5.552
    2    HA   LEU  59           HA       LEU  59  97.400   9.442   5.305
    3    HB2  LEU  59           HB2      LEU  59  94.591   9.680   6.134
    4    HB3  LEU  59           HB3      LEU  59  95.662  10.727   7.029
    5    HG   LEU  59           HG       LEU  59  96.557  11.441   4.688
    6   HD11  LEU  59          HD11      LEU  59  93.890  10.244   3.953
    7   HD12  LEU  59          HD12      LEU  59  94.837  11.278   2.922
    8   HD13  LEU  59          HD13      LEU  59  95.440   9.697   3.389
    9   HD21  LEU  59          HD21      LEU  59  95.042  12.775   6.288
   10   HD22  LEU  59          HD22      LEU  59  95.020  13.222   4.591
   11   HD23  LEU  59          HD23      LEU  59  93.712  12.270   5.256

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE  60           H        ILE  60  98.239  10.534   7.213
    2    HA   ILE  60           HA       ILE  60  99.275   8.761   9.145
    3    HB   ILE  60           HB       ILE  60 100.210  10.652  10.200
    4   HD11  ILE  60          HD11      ILE  60  98.729  12.815   7.548
    5   HD12  ILE  60          HD12      ILE  60  97.333  11.906   8.125
    6   HD13  ILE  60          HD13      ILE  60  97.548  13.566   8.628

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ASP  61           H        ASP  61  96.425  10.569   8.951
    2    HA   ASP  61           HA       ASP  61  95.761  10.348  11.789
    3    HB2  ASP  61           HB2      ASP  61  95.436  12.446  10.416
    4    HB3  ASP  61           HB3      ASP  61  94.121  11.603   9.591

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLY  62           H        GLY  62  95.590   8.289   9.299
    2    HA2  GLY  62           HA2      GLY  62  93.351   6.847  10.504
    3    HA3  GLY  62           HA3      GLY  62  94.515   6.216   9.366

  No H/Q in entry =           3
  In of MODEL   11
    1    H    THR  63           H        THR  63  93.396   9.161   8.168
    2    HA   THR  63           HA       THR  63  90.883   8.321   7.096
    3    HB   THR  63           HB       THR  63  92.655  10.384   5.807
    4    HG1  THR  63           HG1      THR  63  91.996  11.812   7.316
    5   HG21  THR  63          HG21      THR  63  90.465   9.558   4.795
    6   HG22  THR  63          HG22      THR  63  89.681  10.342   6.156
    7   HG23  THR  63          HG23      THR  63  90.625  11.302   5.023

  No H/Q in entry =           7
  In of MODEL   11
    1    H    VAL  64           H        VAL  64  90.838   6.465   5.943
    2    HA   VAL  64           HA       VAL  64  92.943   5.765   4.120
    3    HB   VAL  64           HB       VAL  64  90.219   4.537   4.500

  No H/Q in entry =           3
  In of MODEL   11
    1    H    PHE  65           H        PHE  65  93.227   6.349   2.158
    2    HA   PHE  65           HA       PHE  65  90.937   7.592   0.733
    3    HB2  PHE  65           HB2      PHE  65  92.406   9.097  -0.298
    4    HB3  PHE  65           HB3      PHE  65  92.790   9.115   1.418
    5    HD1  PHE  65           HD1      PHE  65  94.740   7.763   2.252
    6    HD2  PHE  65           HD2      PHE  65  94.083   8.553  -1.911
    7    HE1  PHE  65           HE1      PHE  65  97.135   7.311   1.798
    8    HE2  PHE  65           HE2      PHE  65  96.479   8.088  -2.377
    9    HZ   PHE  65           HZ       PHE  65  98.010   7.487  -0.510

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP  66           H        ASP  66  93.088   5.026   0.751
    2    HA   ASP  66           HA       ASP  66  92.114   4.166  -1.828
    3    HB2  ASP  66           HB2      ASP  66  94.115   5.600  -2.337
    4    HB3  ASP  66           HB3      ASP  66  95.096   4.422  -1.477

  No H/Q in entry =           4
  In of MODEL   11
    1    H    SER  67           H        SER  67  92.405   1.978  -2.254
    2    HA   SER  67           HA       SER  67  93.915   0.347  -0.478
    3    HB2  SER  67           HB2      SER  67  92.137  -0.886   0.537
    4    HB3  SER  67           HB3      SER  67  91.921   0.823   0.895
    5    HG   SER  67           HG       SER  67  90.487  -0.863  -0.830

  No H/Q in entry =           5
  In of MODEL   11
    1    H    THR  68           H        THR  68  94.103  -1.814  -1.062
    2    HA   THR  68           HA       THR  68  92.772  -2.727  -3.504
    3    HB   THR  68           HB       THR  68  95.780  -2.434  -3.338
    4    HG1  THR  68           HG1      THR  68  95.138  -0.523  -4.020
    5   HG21  THR  68          HG21      THR  68  93.954  -3.759  -5.329
    6   HG22  THR  68          HG22      THR  68  95.567  -3.214  -5.762
    7   HG23  THR  68          HG23      THR  68  95.363  -4.434  -4.516

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  69           H        GLU  69  95.215  -3.315  -1.014
    2    HA   GLU  69           HA       GLU  69  95.298  -6.112  -1.317
    3    HB2  GLU  69           HB2      GLU  69  96.267  -6.158   0.927
    4    HB3  GLU  69           HB3      GLU  69  97.038  -5.008  -0.152
    5    HG2  GLU  69           HG2      GLU  69  96.840  -3.714   1.729
    6    HG3  GLU  69           HG3      GLU  69  95.379  -3.314   0.856

  No H/Q in entry =           6
  In of MODEL   11
    1    H    LYS  70           H        LYS  70  93.053  -3.988   0.224
    2    HA   LYS  70           HA       LYS  70  91.798  -5.782   1.938
    3    HB2  LYS  70           HB2      LYS  70  90.581  -3.555   0.311
    4    HB3  LYS  70           HB3      LYS  70  89.800  -4.345   1.682
    5    HG2  LYS  70           HG2      LYS  70  92.480  -2.981   1.815
    6    HG3  LYS  70           HG3      LYS  70  90.971  -2.179   2.247
    7    HD2  LYS  70           HD2      LYS  70  90.629  -4.202   3.864
    8    HD3  LYS  70           HD3      LYS  70  92.354  -4.483   3.630
    9    HE2  LYS  70           HE2      LYS  70  92.881  -2.254   4.393
   10    HE3  LYS  70           HE3      LYS  70  91.168  -1.865   4.563
   11    HZ1  LYS  70           HZ1      LYS  70  90.984  -3.662   6.190
   12    HZ2  LYS  70           HZ2      LYS  70  92.646  -3.972   6.050
   13    HZ3  LYS  70           HZ3      LYS  70  92.110  -2.490   6.685

  No H/Q in entry =          13
  In of MODEL   11
    1    H    THR  71           H        THR  71  91.400  -5.090  -1.454
    2    HA   THR  71           HA       THR  71  89.417  -7.132  -1.904
    3    HB   THR  71           HB       THR  71  90.365  -6.569  -4.397
    4    HG1  THR  71           HG1      THR  71  91.113  -4.474  -2.673
    5   HG21  THR  71          HG21      THR  71  88.047  -6.204  -3.568
    6   HG22  THR  71          HG22      THR  71  88.580  -4.706  -2.805
    7   HG23  THR  71          HG23      THR  71  88.624  -4.866  -4.561

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  72           H        GLY  72  92.894  -6.768  -2.053
    2    HA2  GLY  72           HA2      GLY  72  93.266  -9.619  -2.015
    3    HA3  GLY  72           HA3      GLY  72  94.523  -8.397  -1.902

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS  73           H        LYS  73  93.239  -7.165  -4.419
    2    HA   LYS  73           HA       LYS  73  94.185  -9.127  -6.398
    3    HB2  LYS  73           HB2      LYS  73  92.331  -6.781  -6.498
    4    HB3  LYS  73           HB3      LYS  73  93.149  -7.260  -7.982
    5    HG2  LYS  73           HG2      LYS  73  91.250  -8.541  -8.178
    6    HG3  LYS  73           HG3      LYS  73  92.245  -9.687  -7.298
    7    HD2  LYS  73           HD2      LYS  73  91.230  -8.611  -5.162
    8    HD3  LYS  73           HD3      LYS  73  90.030  -7.927  -6.254
    9    HE2  LYS  73           HE2      LYS  73  89.252 -10.038  -5.291
   10    HE3  LYS  73           HE3      LYS  73  89.460 -10.194  -7.035
   11    HZ1  LYS  73           HZ1      LYS  73  91.899 -10.836  -5.968
   12    HZ2  LYS  73           HZ2      LYS  73  90.788 -11.570  -4.918
   13    HZ3  LYS  73           HZ3      LYS  73  90.749 -11.928  -6.578

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  74           HA       PRO  74  97.954  -6.725  -6.431
    2    HB2  PRO  74           HB2      PRO  74  98.618  -8.421  -8.779
    3    HB3  PRO  74           HB3      PRO  74  99.534  -8.123  -7.291
    4    HG2  PRO  74           HG2      PRO  74  98.300 -10.429  -7.677
    5    HG3  PRO  74           HG3      PRO  74  98.322  -9.657  -6.089
    6    HD2  PRO  74           HD2      PRO  74  96.129  -9.711  -8.117
    7    HD3  PRO  74           HD3      PRO  74  96.085  -9.953  -6.363

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  75           H        ALA  75  98.939  -5.181  -7.642
    2    HA   ALA  75           HA       ALA  75  97.637  -4.341 -10.168
    3    HB1  ALA  75           HB1      ALA  75  97.225  -2.905  -8.021
    4    HB2  ALA  75           HB2      ALA  75  97.678  -2.097  -9.520
    5    HB3  ALA  75           HB3      ALA  75  98.888  -2.380  -8.273

  No H/Q in entry =           5
  In of MODEL   11
    1    H    THR  76           H        THR  76  99.136  -3.409 -11.728
    2    HA   THR  76           HA       THR  76 101.934  -4.186 -11.204
    3    HB   THR  76           HB       THR  76 101.226  -5.344 -13.080
    4    HG1  THR  76           HG1      THR  76 103.022  -3.601 -13.332
    5   HG21  THR  76          HG21      THR  76  99.836  -2.790 -13.922
    6   HG22  THR  76          HG22      THR  76  99.936  -4.238 -14.924
    7   HG23  THR  76          HG23      THR  76  99.066  -4.286 -13.391

  No H/Q in entry =           7
  In of MODEL   11
    1    H    PHE  77           H        PHE  77 103.442  -2.742 -10.941
    2    HA   PHE  77           HA       PHE  77 103.159  -0.069 -12.175
    3    HB2  PHE  77           HB2      PHE  77 104.319  -0.581  -9.447
    4    HB3  PHE  77           HB3      PHE  77 104.175   0.965 -10.224
    5    HD1  PHE  77           HD1      PHE  77 102.855  -0.848  -7.711
    6    HD2  PHE  77           HD2      PHE  77 101.526   1.250 -11.221
    7    HE1  PHE  77           HE1      PHE  77 100.582  -0.592  -6.717
    8    HE2  PHE  77           HE2      PHE  77  99.296   1.509 -10.238
    9    HZ   PHE  77           HZ       PHE  77  98.804   0.592  -7.987

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLN  78           H        GLN  78 105.069   0.812 -12.809
    2    HA   GLN  78           HA       GLN  78 107.331  -1.027 -12.964
    3    HB2  GLN  78           HB2      GLN  78 106.802   1.603 -14.319
    4    HB3  GLN  78           HB3      GLN  78 108.331   0.753 -14.427
    5    HG2  GLN  78           HG2      GLN  78 107.098  -1.237 -15.269
    6    HG3  GLN  78           HG3      GLN  78 105.646  -0.257 -15.315
    7   HE21  GLN  78          HE21      GLN  78 108.247   1.714 -15.936
    8   HE22  GLN  78          HE22      GLN  78 108.211   1.712 -17.630

  No H/Q in entry =           8
  In of MODEL   11
    1    H    VAL  79           H        VAL  79 108.989  -0.823 -11.598
    2    HA   VAL  79           HA       VAL  79 108.793   0.740  -9.350
    3    HB   VAL  79           HB       VAL  79 111.406  -0.124 -10.604

  No H/Q in entry =           3
  In of MODEL   11
    1    H    SER  80           H        SER  80 110.184   1.548 -12.523
    2    HA   SER  80           HA       SER  80 111.467   3.928 -11.616
    3    HB2  SER  80           HB2      SER  80 112.402   3.146 -13.598
    4    HB3  SER  80           HB3      SER  80 110.829   2.781 -14.300
    5    HG   SER  80           HG       SER  80 112.263   5.134 -14.226

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLN  81           H        GLN  81 108.277   3.137 -12.701
    2    HA   GLN  81           HA       GLN  81 107.572   5.991 -12.963
    3    HB2  GLN  81           HB2      GLN  81 105.804   3.634 -13.579
    4    HB3  GLN  81           HB3      GLN  81 105.648   5.307 -14.099
    5    HG2  GLN  81           HG2      GLN  81 107.903   3.479 -14.904
    6    HG3  GLN  81           HG3      GLN  81 106.486   3.915 -15.892
    7   HE21  GLN  81          HE21      GLN  81 109.650   4.645 -15.707
    8   HE22  GLN  81          HE22      GLN  81 109.620   6.299 -16.090

  No H/Q in entry =           8
  In of MODEL   11
    1    H    VAL  82           H        VAL  82 107.588   3.658 -10.495
    2    HA   VAL  82           HA       VAL  82 105.046   4.425  -9.359
    3    HB   VAL  82           HB       VAL  82 106.156   2.110  -9.278

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ILE  83           H        ILE  83 104.895   5.129  -7.009
    2    HA   ILE  83           HA       ILE  83 105.961   7.671  -6.785
    3    HB   ILE  83           HB       ILE  83 105.535   6.546  -4.103
    4   HD11  ILE  83          HD11      ILE  83 103.324   5.895  -3.209
    5   HD12  ILE  83          HD12      ILE  83 102.288   6.806  -4.309
    6   HD13  ILE  83          HD13      ILE  83 102.192   5.048  -4.254

  No H/Q in entry =           6
  In of MODEL   11
    1    HA   PRO  84           HA       PRO  84 110.270   7.273  -5.858
    2    HB2  PRO  84           HB2      PRO  84 109.859   9.108  -3.537
    3    HB3  PRO  84           HB3      PRO  84 111.027   9.228  -4.865
    4    HG2  PRO  84           HG2      PRO  84 108.868  10.783  -4.769
    5    HG3  PRO  84           HG3      PRO  84 109.485  10.155  -6.289
    6    HD2  PRO  84           HD2      PRO  84 107.112   9.317  -4.769
    7    HD3  PRO  84           HD3      PRO  84 107.363   9.306  -6.515

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  85           H        GLY  85 108.203   7.365  -2.961
    2    HA2  GLY  85           HA2      GLY  85 108.252   6.044  -1.076
    3    HA3  GLY  85           HA3      GLY  85 109.998   6.039  -1.250

  No H/Q in entry =           3
  In of MODEL   11
    1    H    TRP  86           H        TRP  86 107.398   4.849  -3.279
    2    HA   TRP  86           HA       TRP  86 107.663   2.080  -2.718
    3    HB2  TRP  86           HB2      TRP  86 106.356   3.772  -4.812
    4    HB3  TRP  86           HB3      TRP  86 106.539   2.059  -5.146
    5    HD1  TRP  86           HD1      TRP  86 105.174   4.163  -2.174
    6    HE1  TRP  86           HE1      TRP  86 103.081   3.004  -1.299
    7    HE3  TRP  86           HE3      TRP  86 105.098   0.202  -5.297
    8    HZ2  TRP  86           HZ2      TRP  86 101.558   0.669  -1.876
    9    HZ3  TRP  86           HZ3      TRP  86 103.288  -1.473  -5.119
   10    HH2  TRP  86           HH2      TRP  86 101.507  -1.244  -3.420

  No H/Q in entry =          10
  In of MODEL   11
    1    H    THR  87           H        THR  87 109.196   4.203  -5.100
    2    HA   THR  87           HA       THR  87 110.255   2.409  -6.871
    3    HB   THR  87           HB       THR  87 111.719   4.793  -5.749
    4    HG1  THR  87           HG1      THR  87 109.395   4.575  -7.126
    5   HG21  THR  87          HG21      THR  87 112.865   3.140  -7.394
    6   HG22  THR  87          HG22      THR  87 111.755   3.799  -8.580
    7   HG23  THR  87          HG23      THR  87 112.896   4.852  -7.783

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLU  88           H        GLU  88 111.830   3.563  -3.899
    2    HA   GLU  88           HA       GLU  88 114.040   1.791  -4.154
    3    HB2  GLU  88           HB2      GLU  88 113.882   4.043  -2.888
    4    HB3  GLU  88           HB3      GLU  88 113.218   3.085  -1.566
    5    HG2  GLU  88           HG2      GLU  88 115.552   3.124  -1.138
    6    HG3  GLU  88           HG3      GLU  88 115.267   1.551  -1.882

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ALA  89           H        ALA  89 111.092   1.696  -2.187
    2    HA   ALA  89           HA       ALA  89 111.771  -0.445  -0.540
    3    HB1  ALA  89           HB1      ALA  89 109.083   0.446  -1.556
    4    HB2  ALA  89           HB2      ALA  89 109.860   0.890  -0.037
    5    HB3  ALA  89           HB3      ALA  89 109.318  -0.763  -0.302

  No H/Q in entry =           5
  In of MODEL   11
    1    H    LEU  90           H        LEU  90 110.075  -0.596  -3.699
    2    HA   LEU  90           HA       LEU  90 109.487  -3.337  -3.623
    3    HB2  LEU  90           HB2      LEU  90 110.196  -1.670  -6.048
    4    HB3  LEU  90           HB3      LEU  90 109.346  -3.201  -6.068
    5    HG   LEU  90           HG       LEU  90 108.320  -0.818  -4.538
    6   HD11  LEU  90          HD11      LEU  90 107.825  -1.633  -7.389
    7   HD12  LEU  90          HD12      LEU  90 106.836  -0.472  -6.531
    8   HD13  LEU  90          HD13      LEU  90 108.532  -0.135  -6.834
    9   HD21  LEU  90          HD21      LEU  90 107.120  -3.388  -5.505
   10   HD22  LEU  90          HD22      LEU  90 107.256  -2.840  -3.853
   11   HD23  LEU  90          HD23      LEU  90 106.147  -2.053  -4.967

  No H/Q in entry =          11
  In of MODEL   11
    1    H    GLN  91           H        GLN  91 112.330  -1.607  -4.760
    2    HA   GLN  91           HA       GLN  91 113.740  -3.798  -5.804
    3    HB2  GLN  91           HB2      GLN  91 114.782  -1.231  -4.610
    4    HB3  GLN  91           HB3      GLN  91 115.687  -2.322  -5.658
    5    HG2  GLN  91           HG2      GLN  91 114.128  -1.944  -7.480
    6    HG3  GLN  91           HG3      GLN  91 113.098  -0.974  -6.430
    7   HE21  GLN  91          HE21      GLN  91 113.330   1.103  -7.360
    8   HE22  GLN  91          HE22      GLN  91 114.824   1.882  -7.563

  No H/Q in entry =           8
  In of MODEL   11
    1    H    LEU  92           H        LEU  92 113.227  -2.655  -2.571
    2    HA   LEU  92           HA       LEU  92 115.366  -4.400  -1.506
    3    HB2  LEU  92           HB2      LEU  92 113.656  -2.341  -0.100
    4    HB3  LEU  92           HB3      LEU  92 115.014  -3.218   0.603
    5    HG   LEU  92           HG       LEU  92 115.258  -1.400  -1.797
    6   HD11  LEU  92          HD11      LEU  92 115.824  -0.859   1.101
    7   HD12  LEU  92          HD12      LEU  92 116.244   0.204  -0.242
    8   HD13  LEU  92          HD13      LEU  92 114.555  -0.126   0.123
    9   HD21  LEU  92          HD21      LEU  92 117.224  -2.845  -0.050
   10   HD22  LEU  92          HD22      LEU  92 117.083  -2.900  -1.806
   11   HD23  LEU  92          HD23      LEU  92 117.685  -1.450  -1.017

  No H/Q in entry =          11
  In of MODEL   11
    1    H    MET  93           H        MET  93 112.034  -4.406  -2.077
    2    HA   MET  93           HA       MET  93 111.392  -6.085   0.219
    3    HB2  MET  93           HB2      MET  93 109.778  -4.424  -0.455
    4    HB3  MET  93           HB3      MET  93 109.717  -5.109  -2.077
    5    HG2  MET  93           HG2      MET  93 108.641  -7.076  -1.333
    6    HG3  MET  93           HG3      MET  93 109.120  -6.812   0.341
    7    HE1  MET  93           HE1      MET  93 107.521  -5.459  -2.640
    8    HE2  MET  93           HE2      MET  93 105.852  -5.784  -2.192
    9    HE3  MET  93           HE3      MET  93 106.495  -4.143  -2.101

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   PRO  94           HA       PRO  94 112.385  -9.651  -2.542
    2    HB2  PRO  94           HB2      PRO  94 112.003 -11.239  -0.097
    3    HB3  PRO  94           HB3      PRO  94 113.424 -11.138  -1.148
    4    HG2  PRO  94           HG2      PRO  94 113.412 -10.066   1.301
    5    HG3  PRO  94           HG3      PRO  94 114.246  -9.277  -0.055
    6    HD2  PRO  94           HD2      PRO  94 111.555  -8.653   1.106
    7    HD3  PRO  94           HD3      PRO  94 112.863  -7.573   0.655

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  95           H        ALA  95 111.134 -11.196  -3.517
    2    HA   ALA  95           HA       ALA  95 108.355 -10.856  -3.340
    3    HB1  ALA  95           HB1      ALA  95 109.955 -12.986  -4.714
    4    HB2  ALA  95           HB2      ALA  95 108.207 -12.800  -4.876
    5    HB3  ALA  95           HB3      ALA  95 109.281 -11.520  -5.429

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  96           H        GLY  96 106.749 -11.916  -2.473
    2    HA2  GLY  96           HA2      GLY  96 107.286 -14.333  -0.900
    3    HA3  GLY  96           HA3      GLY  96 105.707 -13.651  -1.308

  No H/Q in entry =           3
  In of MODEL   11
    1    H    SER  97           H        SER  97 108.125 -11.414  -0.384
    2    HA   SER  97           HA       SER  97 107.385 -11.422   2.433
    3    HB2  SER  97           HB2      SER  97 109.288 -10.125   2.773
    4    HB3  SER  97           HB3      SER  97 109.757 -11.002   1.318
    5    HG   SER  97           HG       SER  97 108.783  -8.363   1.590

  No H/Q in entry =           5
  In of MODEL   11
    1    H    THR  98           H        THR  98 105.953 -10.120   3.314
    2    HA   THR  98           HA       THR  98 104.710  -8.020   1.677
    3    HB   THR  98           HB       THR  98 103.702  -9.349   4.202
    4    HG1  THR  98           HG1      THR  98 102.603 -10.638   2.890
    5   HG21  THR  98          HG21      THR  98 102.488  -7.358   2.269
    6   HG22  THR  98          HG22      THR  98 101.578  -8.262   3.477
    7   HG23  THR  98          HG23      THR  98 102.827  -7.129   3.980

  No H/Q in entry =           7
  In of MODEL   11
    1    H    TRP  99           H        TRP  99 105.488  -6.050   2.020
    2    HA   TRP  99           HA       TRP  99 106.367  -5.350   4.764
    3    HB2  TRP  99           HB2      TRP  99 107.268  -4.219   2.114
    4    HB3  TRP  99           HB3      TRP  99 107.718  -3.558   3.671
    5    HD1  TRP  99           HD1      TRP  99 107.748  -7.297   3.791
    6    HE1  TRP  99           HE1      TRP  99 110.140  -8.160   3.664
    7    HE3  TRP  99           HE3      TRP  99 110.075  -2.972   2.431
    8    HZ2  TRP  99           HZ2      TRP  99 112.764  -7.119   3.071
    9    HZ3  TRP  99           HZ3      TRP  99 112.536  -2.935   2.103
   10    HH2  TRP  99           HH2      TRP  99 113.879  -4.999   2.424

  No H/Q in entry =          10
  In of MODEL   11
    1    H    GLU 100           H        GLU 100 106.162  -3.153   5.358
    2    HA   GLU 100           HA       GLU 100 103.929  -1.680   4.120
    3    HB2  GLU 100           HB2      GLU 100 104.558  -2.083   7.037
    4    HB3  GLU 100           HB3      GLU 100 103.623  -0.699   6.489
    5    HG2  GLU 100           HG2      GLU 100 101.966  -2.150   5.501
    6    HG3  GLU 100           HG3      GLU 100 102.912  -3.576   5.884

  No H/Q in entry =           6
  In of MODEL   11
    1    H    ILE 101           H        ILE 101 104.588   0.287   3.393
    2    HA   ILE 101           HA       ILE 101 107.015   1.402   4.563
    3    HB   ILE 101           HB       ILE 101 107.937   1.966   2.541
    4   HD11  ILE 101          HD11      ILE 101 107.960   2.693   0.294
    5   HD12  ILE 101          HD12      ILE 101 107.235   1.185  -0.248
    6   HD13  ILE 101          HD13      ILE 101 106.500   2.716  -0.686

  No H/Q in entry =           6
  In of MODEL   11
    1    H    TYR 102           H        TYR 102 107.073   3.401   5.122
    2    HA   TYR 102           HA       TYR 102 104.557   4.937   4.968
    3    HB2  TYR 102           HB2      TYR 102 106.884   5.214   6.876
    4    HB3  TYR 102           HB3      TYR 102 105.344   6.015   7.011
    5    HD1  TYR 102           HD1      TYR 102 106.382   2.401   6.446
    6    HD2  TYR 102           HD2      TYR 102 104.081   5.149   8.795
    7    HE1  TYR 102           HE1      TYR 102 105.513   0.536   7.727
    8    HE2  TYR 102           HE2      TYR 102 103.205   3.254  10.118
    9    HH   TYR 102           HH       TYR 102 103.369   0.108   9.159

  No H/Q in entry =           9
  In of MODEL   11
    1    H    VAL 103           H        VAL 103 104.784   6.132   3.178
    2    HA   VAL 103           HA       VAL 103 107.320   7.142   2.376
    3    HB   VAL 103           HB       VAL 103 104.732   7.634   1.004

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO 104           HA       PRO 104 106.757  11.173   4.327
    2    HB2  PRO 104           HB2      PRO 104 108.941  11.826   2.392
    3    HB3  PRO 104           HB3      PRO 104 108.865  12.134   4.138
    4    HG2  PRO 104           HG2      PRO 104 110.400  10.182   3.072
    5    HG3  PRO 104           HG3      PRO 104 109.683  10.049   4.673
    6    HD2  PRO 104           HD2      PRO 104 108.961   8.650   2.185
    7    HD3  PRO 104           HD3      PRO 104 108.652   8.192   3.874

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER 105           H        SER 105 105.593  12.966   3.586
    2    HA   SER 105           HA       SER 105 104.068  12.795   1.327
    3    HB2  SER 105           HB2      SER 105 103.615  15.180   1.557
    4    HB3  SER 105           HB3      SER 105 103.659  14.417   3.144
    5    HG   SER 105           HG       SER 105 105.067  16.458   2.332

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY 106           H        GLY 106 107.307  14.145   1.607
    2    HA2  GLY 106           HA2      GLY 106 108.791  14.892   0.010
    3    HA3  GLY 106           HA3      GLY 106 107.401  15.364  -0.957

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LEU 107           H        LEU 107 107.999  12.107   0.194
    2    HA   LEU 107           HA       LEU 107 108.936  11.248  -2.472
    3    HB2  LEU 107           HB2      LEU 107 108.805   9.713   0.143
    4    HB3  LEU 107           HB3      LEU 107 109.537   9.139  -1.332
    5    HG   LEU 107           HG       LEU 107 110.454  11.464   0.366
    6   HD11  LEU 107          HD11      LEU 107 111.089   9.172   1.122
    7   HD12  LEU 107          HD12      LEU 107 111.856   8.915  -0.441
    8   HD13  LEU 107          HD13      LEU 107 112.479  10.148   0.648
    9   HD21  LEU 107          HD21      LEU 107 111.231  10.633  -2.412
   10   HD22  LEU 107          HD22      LEU 107 110.884  12.249  -1.810
   11   HD23  LEU 107          HD23      LEU 107 112.392  11.453  -1.372

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ALA 108           H        ALA 108 106.012  11.679  -1.050
    2    HA   ALA 108           HA       ALA 108 104.863   9.197  -2.133
    3    HB1  ALA 108           HB1      ALA 108 103.546  11.184  -0.285
    4    HB2  ALA 108           HB2      ALA 108 102.984   9.574  -0.698
    5    HB3  ALA 108           HB3      ALA 108 104.421   9.787   0.267

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR 109           H        TYR 109 102.560  11.597  -1.560
    2    HA   TYR 109           HA       TYR 109 102.141  11.909  -4.424
    3    HB2  TYR 109           HB2      TYR 109 100.361  12.104  -2.016
    4    HB3  TYR 109           HB3      TYR 109  99.863  12.828  -3.541
    5    HD1  TYR 109           HD1      TYR 109 100.401   9.754  -1.751
    6    HD2  TYR 109           HD2      TYR 109  99.740  11.400  -5.630
    7    HE1  TYR 109           HE1      TYR 109  99.965   7.529  -2.624
    8    HE2  TYR 109           HE2      TYR 109  99.371   9.155  -6.541
    9    HH   TYR 109           HH       TYR 109  99.674   6.296  -4.385

  No H/Q in entry =           9
  In of MODEL   11
    1    H    GLY 110           H        GLY 110 103.823  13.586  -2.253
    2    HA2  GLY 110           HA2      GLY 110 103.209  16.153  -3.598
    3    HA3  GLY 110           HA3      GLY 110 104.788  15.667  -3.021

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO 111           HA       PRO 111 104.018  17.716   0.815
    2    HB2  PRO 111           HB2      PRO 111 104.954  20.187   0.345
    3    HB3  PRO 111           HB3      PRO 111 106.026  18.777   0.317
    4    HG2  PRO 111           HG2      PRO 111 104.775  20.217  -1.982
    5    HG3  PRO 111           HG3      PRO 111 106.451  19.673  -1.781
    6    HD2  PRO 111           HD2      PRO 111 104.595  18.260  -3.204
    7    HD3  PRO 111           HD3      PRO 111 105.936  17.485  -2.350

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ARG 112           H        ARG 112 102.391  18.594  -2.007
    2    HA   ARG 112           HA       ARG 112 100.600  20.531  -0.665
    3    HB2  ARG 112           HB2      ARG 112 101.821  20.900  -2.973
    4    HB3  ARG 112           HB3      ARG 112 100.551  19.858  -3.603
    5    HG2  ARG 112           HG2      ARG 112  99.088  21.648  -2.065
    6    HG3  ARG 112           HG3      ARG 112 100.391  22.672  -2.658
    7    HD2  ARG 112           HD2      ARG 112  98.366  21.110  -4.256
    8    HD3  ARG 112           HD3      ARG 112  98.711  22.835  -4.318
    9    HE   ARG 112           HE       ARG 112 100.130  20.740  -5.711
   10   HH11  ARG 112          HH11      ARG 112 100.294  23.921  -4.348
   11   HH12  ARG 112          HH12      ARG 112 101.594  24.437  -5.373
   12   HH21  ARG 112          HH21      ARG 112 101.827  21.413  -7.051
   13   HH22  ARG 112          HH22      ARG 112 102.454  23.021  -6.909

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER 113           H        SER 113  98.241  20.280  -1.350
    2    HA   SER 113           HA       SER 113  97.374  17.608  -0.781
    3    HB2  SER 113           HB2      SER 113  95.601  19.802  -1.828
    4    HB3  SER 113           HB3      SER 113  95.218  18.509  -0.692
    5    HG   SER 113           HG       SER 113  96.471  20.945  -0.298

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL 114           H        VAL 114  97.887  16.176  -2.406
    2    HA   VAL 114           HA       VAL 114  96.996  16.856  -5.163
    3    HB   VAL 114           HB       VAL 114  98.968  14.720  -4.378

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLY 115           H        GLY 115  94.841  16.189  -3.899
    2    HA2  GLY 115           HA2      GLY 115  94.453  13.313  -3.737
    3    HA3  GLY 115           HA3      GLY 115  93.693  14.075  -5.128

  No H/Q in entry =           3
  In of MODEL   11
    1    H    GLY 116           H        GLY 116  91.901  12.956  -3.826
    2    HA2  GLY 116           HA2      GLY 116  89.980  13.087  -2.565
    3    HA3  GLY 116           HA3      GLY 116  90.052  14.792  -2.952

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO 117           HA       PRO 117  90.250  14.389   1.666
    2    HB2  PRO 117           HB2      PRO 117  91.199  12.119   2.845
    3    HB3  PRO 117           HB3      PRO 117  89.522  12.308   2.306
    4    HG2  PRO 117           HG2      PRO 117  91.809  11.038   0.875
    5    HG3  PRO 117           HG3      PRO 117  90.166  10.434   1.099
    6    HD2  PRO 117           HD2      PRO 117  90.884  11.560  -1.195
    7    HD3  PRO 117           HD3      PRO 117  89.285  11.896  -0.493

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ILE 118           H        ILE 118  92.983  13.337  -0.130
    2    HA   ILE 118           HA       ILE 118  94.990  13.732   1.841
    3    HB   ILE 118           HB       ILE 118  95.270  14.041  -1.159
    4   HD11  ILE 118          HD11      ILE 118  93.694  12.482  -1.560
    5   HD12  ILE 118          HD12      ILE 118  94.620  11.081  -2.068
    6   HD13  ILE 118          HD13      ILE 118  93.587  10.990  -0.651

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY 119           H        GLY 119  95.309  15.616   2.816
    2    HA2  GLY 119           HA2      GLY 119  94.988  17.880   3.223
    3    HA3  GLY 119           HA3      GLY 119  94.597  18.143   1.537

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO 120           HA       PRO 120  98.650  19.793   1.045
    2    HB2  PRO 120           HB2      PRO 120  99.082  21.680   3.000
    3    HB3  PRO 120           HB3      PRO 120  98.071  21.964   1.583
    4    HG2  PRO 120           HG2      PRO 120  97.250  21.178   4.335
    5    HG3  PRO 120           HG3      PRO 120  96.527  22.361   3.259
    6    HD2  PRO 120           HD2      PRO 120  95.467  19.922   3.612
    7    HD3  PRO 120           HD3      PRO 120  95.420  20.716   2.025

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ASN 121           H        ASN 121 100.741  19.189   1.495
    2    HA   ASN 121           HA       ASN 121 102.472  18.094   2.546
    3    HB2  ASN 121           HB2      ASN 121 102.293  20.293   3.812
    4    HB3  ASN 121           HB3      ASN 121 101.423  19.400   5.051
    5   HD21  ASN 121          HD21      ASN 121 104.513  20.336   4.098
    6   HD22  ASN 121          HD22      ASN 121 105.381  19.227   5.031

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLU 122           H        GLU 122 100.401  16.372   2.189
    2    HA   GLU 122           HA       GLU 122  99.861  15.029   4.741
    3    HB2  GLU 122           HB2      GLU 122  98.653  15.074   2.067
    4    HB3  GLU 122           HB3      GLU 122  98.845  13.447   2.690
    5    HG2  GLU 122           HG2      GLU 122  96.689  14.226   3.329
    6    HG3  GLU 122           HG3      GLU 122  97.684  14.147   4.781

  No H/Q in entry =           6
  In of MODEL   11
    1    H    THR 123           H        THR 123 100.904  13.231   5.403
    2    HA   THR 123           HA       THR 123 102.907  12.020   3.594
    3    HB   THR 123           HB       THR 123 102.462  11.678   6.564
    4    HG1  THR 123           HG1      THR 123 104.249  12.906   6.768
    5   HG21  THR 123          HG21      THR 123 103.293   9.622   5.457
    6   HG22  THR 123          HG22      THR 123 104.596  10.552   4.752
    7   HG23  THR 123          HG23      THR 123 104.514  10.334   6.498

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LEU 124           H        LEU 124 102.407  10.136   2.641
    2    HA   LEU 124           HA       LEU 124  99.977   8.692   3.574
    3    HB2  LEU 124           HB2      LEU 124 101.300   8.693   0.855
    4    HB3  LEU 124           HB3      LEU 124  99.855   7.792   1.278
    5    HG   LEU 124           HG       LEU 124  98.947   9.667   0.206
    6   HD11  LEU 124          HD11      LEU 124  98.052   9.471   2.545
    7   HD12  LEU 124          HD12      LEU 124  99.150  10.776   2.967
    8   HD13  LEU 124          HD13      LEU 124  97.889  11.057   1.793
    9   HD21  LEU 124          HD21      LEU 124 101.169  10.809   0.008
   10   HD22  LEU 124          HD22      LEU 124  99.804  11.887   0.269
   11   HD23  LEU 124          HD23      LEU 124 100.875  11.492   1.595

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE 125           H        ILE 125 100.020   6.512   3.827
    2    HA   ILE 125           HA       ILE 125 102.635   5.131   3.678
    3    HB   ILE 125           HB       ILE 125 102.215   5.311   6.006
    4   HD11  ILE 125          HD11      ILE 125 101.967   3.779   7.705
    5   HD12  ILE 125          HD12      ILE 125 100.776   2.514   7.482
    6   HD13  ILE 125          HD13      ILE 125 102.481   2.166   7.268

  No H/Q in entry =           6
  In of MODEL   11
    1    H    PHE 126           H        PHE 126 102.583   3.022   2.907
    2    HA   PHE 126           HA       PHE 126  99.946   1.984   2.137
    3    HB2  PHE 126           HB2      PHE 126 102.285   1.739   0.268
    4    HB3  PHE 126           HB3      PHE 126 100.558   1.519  -0.060
    5    HD1  PHE 126           HD1      PHE 126  99.294   3.307  -0.919
    6    HD2  PHE 126           HD2      PHE 126 103.016   4.074   1.075
    7    HE1  PHE 126           HE1      PHE 126  99.112   5.710  -1.488
    8    HE2  PHE 126           HE2      PHE 126 102.825   6.468   0.508
    9    HZ   PHE 126           HZ       PHE 126 100.889   7.278  -0.760

  No H/Q in entry =           9
  In of MODEL   11
    1    H    LYS 127           H        LYS 127  99.770  -0.253   1.993
    2    HA   LYS 127           HA       LYS 127 101.905  -1.743   3.318
    3    HB2  LYS 127           HB2      LYS 127  99.392  -3.179   2.742
    4    HB3  LYS 127           HB3      LYS 127 100.261  -3.042   4.250
    5    HG2  LYS 127           HG2      LYS 127  98.449  -0.924   3.113
    6    HG3  LYS 127           HG3      LYS 127  98.010  -2.063   4.375
    7    HD2  LYS 127           HD2      LYS 127  99.746  -1.172   5.851
    8    HD3  LYS 127           HD3      LYS 127 100.261  -0.040   4.615
    9    HE2  LYS 127           HE2      LYS 127  98.046   1.024   4.643
   10    HE3  LYS 127           HE3      LYS 127  97.502  -0.127   5.864
   11    HZ1  LYS 127           HZ1      LYS 127  99.927   1.063   6.680
   12    HZ2  LYS 127           HZ2      LYS 127  98.817   2.281   6.275
   13    HZ3  LYS 127           HZ3      LYS 127  98.407   1.112   7.438

  No H/Q in entry =          13
  In of MODEL   11
    1    H    ILE 128           H        ILE 128 103.206  -2.944   2.010
    2    HA   ILE 128           HA       ILE 128 102.076  -3.515  -0.687
    3    HB   ILE 128           HB       ILE 128 105.028  -3.204  -0.202
    4   HD11  ILE 128          HD11      ILE 128 105.068  -0.682  -2.028
    5   HD12  ILE 128          HD12      ILE 128 104.816   0.539  -0.795
    6   HD13  ILE 128          HD13      ILE 128 105.967  -0.757  -0.510

  No H/Q in entry =           6
  In of MODEL   11
    1    H    HIS 129           H        HIS 129 101.682  -5.431  -1.108
    2    HA   HIS 129           HA       HIS 129 103.208  -7.661   0.085
    3    HB2  HIS 129           HB2      HIS 129 100.842  -7.760   0.618
    4    HB3  HIS 129           HB3      HIS 129 100.424  -7.500  -1.072
    5    HD2  HIS 129           HD2      HIS 129 103.181 -10.173  -0.007
    6    HE1  HIS 129           HE1      HIS 129  99.899 -12.129  -1.833
    7    HE2  HIS 129           HE2      HIS 129 102.273 -12.428  -1.015

  No H/Q in entry =           7
  In of MODEL   11
    1    H    LEU 130           H        LEU 130 104.552  -8.761  -1.288
    2    HA   LEU 130           HA       LEU 130 104.305  -8.105  -4.131
    3    HB2  LEU 130           HB2      LEU 130 106.525  -8.355  -2.456
    4    HB3  LEU 130           HB3      LEU 130 106.553  -9.792  -3.443
    5    HG   LEU 130           HG       LEU 130 106.308  -7.016  -4.548
    6   HD11  LEU 130          HD11      LEU 130 108.680  -8.871  -4.401
    7   HD12  LEU 130          HD12      LEU 130 108.638  -7.420  -5.381
    8   HD13  LEU 130          HD13      LEU 130 108.535  -7.303  -3.629
    9   HD21  LEU 130          HD21      LEU 130 105.279  -8.781  -5.969
   10   HD22  LEU 130          HD22      LEU 130 106.712  -8.126  -6.698
   11   HD23  LEU 130          HD23      LEU 130 106.793  -9.674  -5.898

  No H/Q in entry =          11
  In of MODEL   11
    1    H    ILE 131           H        ILE 131 103.061  -9.340  -5.336
    2    HA   ILE 131           HA       ILE 131 102.805 -12.203  -4.719
    3    HB   ILE 131           HB       ILE 131 101.325 -10.374  -6.620
    4   HD11  ILE 131          HD11      ILE 131 100.280  -8.888  -5.178
    5   HD12  ILE 131          HD12      ILE 131  99.712  -9.356  -3.581
    6   HD13  ILE 131          HD13      ILE 131 101.432  -9.256  -3.890

  No H/Q in entry =           6
  In of MODEL   11
    1    H    SER 132           H        SER 132 103.754 -10.124  -7.490
    2    HA   SER 132           HA       SER 132 105.511 -12.277  -8.407
    3    HB2  SER 132           HB2      SER 132 104.515 -12.674 -10.468
    4    HB3  SER 132           HB3      SER 132 103.096 -12.458  -9.444
    5    HG   SER 132           HG       SER 132 102.635 -10.973 -10.863

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL 133           H        VAL 133 107.040 -11.597 -10.002
    2    HA   VAL 133           HA       VAL 133 107.377  -8.655 -10.209
    3    HB   VAL 133           HB       VAL 133 109.529 -10.734  -9.670

  No H/Q in entry =           3
  In of MODEL   11
    1    H    LYS 134           H        LYS 134 108.108  -7.869 -12.113
    2    HA   LYS 134           HA       LYS 134 108.250  -9.710 -14.386
    3    HB2  LYS 134           HB2      LYS 134 106.770  -7.506 -14.145
    4    HB3  LYS 134           HB3      LYS 134 108.276  -6.766 -14.673
    5    HG2  LYS 134           HG2      LYS 134 107.249  -7.178 -16.730
    6    HG3  LYS 134           HG3      LYS 134 108.233  -8.630 -16.543
    7    HD2  LYS 134           HD2      LYS 134 106.207  -9.693 -15.430
    8    HD3  LYS 134           HD3      LYS 134 105.275  -8.314 -16.006
    9    HE2  LYS 134           HE2      LYS 134 106.902 -10.180 -17.757
   10    HE3  LYS 134           HE3      LYS 134 105.145 -10.202 -17.601
   11    HZ1  LYS 134           HZ1      LYS 134 105.391  -7.705 -18.224
   12    HZ2  LYS 134           HZ2      LYS 134 106.874  -8.206 -18.885
   13    HZ3  LYS 134           HZ3      LYS 134 105.425  -8.890 -19.441

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LYS 135           H        LYS 135 109.537  -7.603 -15.933
    2    HA   LYS 135           HA       LYS 135 112.086  -7.003 -14.857
    3    HB2  LYS 135           HB2      LYS 135 111.864  -9.593 -15.873
    4    HB3  LYS 135           HB3      LYS 135 112.658  -8.713 -17.159
    5    HG2  LYS 135           HG2      LYS 135 113.587  -8.529 -14.292
    6    HG3  LYS 135           HG3      LYS 135 114.131  -9.800 -15.381
    7    HD2  LYS 135           HD2      LYS 135 114.330  -6.930 -16.247
    8    HD3  LYS 135           HD3      LYS 135 115.535  -7.582 -15.146
    9    HE2  LYS 135           HE2      LYS 135 114.833  -8.743 -17.856
   10    HE3  LYS 135           HE3      LYS 135 116.274  -7.804 -17.487
   11    HZ1  LYS 135           HZ1      LYS 135 116.554  -9.595 -15.641
   12    HZ2  LYS 135           HZ2      LYS 135 115.564 -10.527 -16.654
   13    HZ3  LYS 135           HZ3      LYS 135 117.043  -9.925 -17.234

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER 136           H        SER 136 113.183  -5.546 -15.988
    2    HA   SER 136           HA       SER 136 111.765  -3.854 -17.716
    3    HB2  SER 136           HB2      SER 136 113.870  -2.672 -17.986
    4    HB3  SER 136           HB3      SER 136 113.710  -3.200 -16.312
    5    HG   SER 136           HG       SER 136 115.193  -4.745 -16.640

  No H/Q in entry =           5
  In of MODEL   11
    1    H    SER 137           H        SER 137 113.943  -6.534 -18.388
    2    HA   SER 137           HA       SER 137 114.558  -7.565 -20.349
    3    HB2  SER 137           HB2      SER 137 112.182  -8.023 -20.530
    4    HB3  SER 137           HB3      SER 137 111.886  -6.419 -21.194
    5    HG   SER 137           HG       SER 137 112.380  -7.210 -23.066

  No H/Q in entry =           5
  In of MODEL   12
    1    H1   PHE   1           H1       PHE   1  93.623  26.193   4.747
    2    H2   PHE   1           H2       PHE   1  94.016  27.834   4.583
    3    H3   PHE   1           H3       PHE   1  92.706  27.187   3.717
    4    HA   PHE   1           HA       PHE   1  94.066  26.009   2.262
    5    HB2  PHE   1           HB2      PHE   1  94.080  28.497   1.958
    6    HB3  PHE   1           HB3      PHE   1  95.567  28.571   2.898
    7    HD1  PHE   1           HD1      PHE   1  97.637  28.353   1.782
    8    HD2  PHE   1           HD2      PHE   1  94.067  26.821  -0.050
    9    HE1  PHE   1           HE1      PHE   1  98.923  27.799  -0.264
   10    HE2  PHE   1           HE2      PHE   1  95.354  26.266  -2.095
   11    HZ   PHE   1           HZ       PHE   1  97.783  26.754  -2.202

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ASN   2           H        ASN   2  96.940  27.587   3.289
    2    HA   ASN   2           HA       ASN   2  98.300  25.106   3.604
    3    HB2  ASN   2           HB2      ASN   2  99.097  27.977   4.017
    4    HB3  ASN   2           HB3      ASN   2 100.179  26.663   4.481
    5   HD21  ASN   2          HD21      ASN   2 101.138  28.277   2.474
    6   HD22  ASN   2          HD22      ASN   2 101.028  27.502   0.969

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS   3           H        LYS   3  96.640  27.225   5.796
    2    HA   LYS   3           HA       LYS   3  97.850  26.746   8.221
    3    HB2  LYS   3           HB2      LYS   3  95.690  27.116   9.260
    4    HB3  LYS   3           HB3      LYS   3  95.786  28.155   7.838
    5    HG2  LYS   3           HG2      LYS   3  94.545  26.421   6.534
    6    HG3  LYS   3           HG3      LYS   3  94.381  25.473   8.007
    7    HD2  LYS   3           HD2      LYS   3  93.144  27.279   9.070
    8    HD3  LYS   3           HD3      LYS   3  93.268  28.242   7.593
    9    HE2  LYS   3           HE2      LYS   3  92.081  26.532   6.342
   10    HE3  LYS   3           HE3      LYS   3  92.073  25.476   7.758
   11    HZ1  LYS   3           HZ1      LYS   3  90.991  27.897   8.564
   12    HZ2  LYS   3           HZ2      LYS   3  90.266  27.548   7.071
   13    HZ3  LYS   3           HZ3      LYS   3  90.169  26.427   8.343

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LYS   4           H        LYS   4  95.664  24.679   6.392
    2    HA   LYS   4           HA       LYS   4  95.390  22.622   8.280
    3    HB2  LYS   4           HB2      LYS   4  94.153  23.152   6.021
    4    HB3  LYS   4           HB3      LYS   4  95.358  22.079   5.325
    5    HG2  LYS   4           HG2      LYS   4  93.586  21.332   7.664
    6    HG3  LYS   4           HG3      LYS   4  93.192  20.984   5.993
    7    HD2  LYS   4           HD2      LYS   4  95.491  19.795   5.889
    8    HD3  LYS   4           HD3      LYS   4  95.451  19.886   7.649
    9    HE2  LYS   4           HE2      LYS   4  93.189  18.702   6.038
   10    HE3  LYS   4           HE3      LYS   4  94.498  17.735   6.701
   11    HZ1  LYS   4           HZ1      LYS   4  93.921  18.762   8.904
   12    HZ2  LYS   4           HZ2      LYS   4  92.516  19.368   8.171
   13    HZ3  LYS   4           HZ3      LYS   4  92.763  17.691   8.271

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ALA   5           H        ALA   5  97.726  23.302   5.765
    2    HA   ALA   5           HA       ALA   5  99.128  20.933   5.557
    3    HB1  ALA   5           HB1      ALA   5 100.812  22.198   4.549
    4    HB2  ALA   5           HB2      ALA   5 100.557  23.572   5.608
    5    HB3  ALA   5           HB3      ALA   5  99.398  23.224   4.336

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASP   6           H        ASP   6  99.298  23.399   8.004
    2    HA   ASP   6           HA       ASP   6 101.616  22.467   9.313
    3    HB2  ASP   6           HB2      ASP   6  99.252  24.045  10.237
    4    HB3  ASP   6           HB3      ASP   6 100.598  23.659  11.290

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLU   7           H        GLU   7  98.176  21.586   9.592
    2    HA   GLU   7           HA       GLU   7  98.459  19.951  11.899
    3    HB2  GLU   7           HB2      GLU   7  96.468  19.521   9.722
    4    HB3  GLU   7           HB3      GLU   7  96.289  19.164  11.435
    5    HG2  GLU   7           HG2      GLU   7  96.497  21.614  11.884
    6    HG3  GLU   7           HG3      GLU   7  96.450  21.882  10.148

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ASN   8           H        ASN   8  98.257  19.149   8.492
    2    HA   ASN   8           HA       ASN   8  98.729  16.380   8.709
    3    HB2  ASN   8           HB2      ASN   8  99.556  18.242   6.481
    4    HB3  ASN   8           HB3      ASN   8  99.356  16.511   6.370
    5   HD21  ASN   8          HD21      ASN   8  97.879  17.894   4.610
    6   HD22  ASN   8          HD22      ASN   8  96.247  17.950   5.065

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS   9           H        LYS   9 100.767  19.154   8.635
    2    HA   LYS   9           HA       LYS   9 103.274  17.865   8.316
    3    HB2  LYS   9           HB2      LYS   9 103.342  20.133   7.846
    4    HB3  LYS   9           HB3      LYS   9 102.257  20.509   9.148
    5    HG2  LYS   9           HG2      LYS   9 103.994  20.285  10.782
    6    HG3  LYS   9           HG3      LYS   9 105.110  19.696   9.553
    7    HD2  LYS   9           HD2      LYS   9 104.870  21.901   8.380
    8    HD3  LYS   9           HD3      LYS   9 103.882  22.450   9.729
    9    HE2  LYS   9           HE2      LYS   9 105.727  22.083  11.288
   10    HE3  LYS   9           HE3      LYS   9 106.730  21.456   9.979
   11    HZ1  LYS   9           HZ1      LYS   9 105.552  24.178   9.981
   12    HZ2  LYS   9           HZ2      LYS   9 107.121  23.834  10.536
   13    HZ3  LYS   9           HZ3      LYS   9 106.711  23.558   8.910

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  10           H        VAL  10 101.618  19.065  11.284
    2    HA   VAL  10           HA       VAL  10 103.669  18.133  13.006
    3    HB   VAL  10           HB       VAL  10 100.790  18.809  13.571

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  11           H        LYS  11 100.525  16.714  12.147
    2    HA   LYS  11           HA       LYS  11 100.845  14.413  13.736
    3    HB2  LYS  11           HB2      LYS  11  99.215  14.959  11.286
    4    HB3  LYS  11           HB3      LYS  11  99.212  13.401  12.077
    5    HG2  LYS  11           HG2      LYS  11  97.383  14.453  13.090
    6    HG3  LYS  11           HG3      LYS  11  98.668  14.762  14.251
    7    HD2  LYS  11           HD2      LYS  11  99.056  16.968  13.117
    8    HD3  LYS  11           HD3      LYS  11  97.623  16.661  12.136
    9    HE2  LYS  11           HE2      LYS  11  97.830  17.113  15.101
   10    HE3  LYS  11           HE3      LYS  11  96.806  17.941  13.931
   11    HZ1  LYS  11           HZ1      LYS  11  95.832  15.573  13.597
   12    HZ2  LYS  11           HZ2      LYS  11  96.464  15.289  15.145
   13    HZ3  LYS  11           HZ3      LYS  11  95.322  16.524  14.909

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLY  12           H        GLY  12 101.732  15.303  10.494
    2    HA2  GLY  12           HA2      GLY  12 103.035  14.260   8.892
    3    HA3  GLY  12           HA3      GLY  12 102.725  12.750   9.712

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  13           H        GLU  13 104.400  15.685  10.900
    2    HA   GLU  13           HA       GLU  13 106.998  14.603  10.650
    3    HB2  GLU  13           HB2      GLU  13 105.870  16.691  12.523
    4    HB3  GLU  13           HB3      GLU  13 107.563  16.204  12.578
    5    HG2  GLU  13           HG2      GLU  13 107.817  16.802  10.213
    6    HG3  GLU  13           HG3      GLU  13 106.135  17.305  10.155

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  14           H        ALA  14 104.513  14.310  13.047
    2    HA   ALA  14           HA       ALA  14 106.060  12.950  15.003
    3    HB1  ALA  14           HB1      ALA  14 103.969  14.256  15.472
    4    HB2  ALA  14           HB2      ALA  14 103.062  12.970  14.677
    5    HB3  ALA  14           HB3      ALA  14 103.970  12.630  16.147

  No H/Q in entry =           5
  In of MODEL   12
    1    H    PHE  15           H        PHE  15 103.981  12.083  12.351
    2    HA   PHE  15           HA       PHE  15 103.627   9.343  12.857
    3    HB2  PHE  15           HB2      PHE  15 102.401  10.805  11.241
    4    HB3  PHE  15           HB3      PHE  15 103.825  10.781  10.215
    5    HD1  PHE  15           HD1      PHE  15 104.270   8.980   8.788
    6    HD2  PHE  15           HD2      PHE  15 101.221   8.648  11.787
    7    HE1  PHE  15           HE1      PHE  15 103.408   6.931   7.695
    8    HE2  PHE  15           HE2      PHE  15 100.388   6.573  10.718
    9    HZ   PHE  15           HZ       PHE  15 101.477   5.734   8.664

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LEU  16           H        LEU  16 106.023  11.024  10.817
    2    HA   LEU  16           HA       LEU  16 107.433   8.609  10.197
    3    HB2  LEU  16           HB2      LEU  16 108.270  11.510  10.051
    4    HB3  LEU  16           HB3      LEU  16 109.331  10.193   9.593
    5    HG   LEU  16           HG       LEU  16 107.254   9.459   8.090
    6   HD11  LEU  16          HD11      LEU  16 106.755  12.383   8.660
    7   HD12  LEU  16          HD12      LEU  16 106.288  11.677   7.114
    8   HD13  LEU  16          HD13      LEU  16 105.603  11.051   8.615
    9   HD21  LEU  16          HD21      LEU  16 109.314  11.581   7.539
   10   HD22  LEU  16          HD22      LEU  16 109.323   9.880   7.099
   11   HD23  LEU  16          HD23      LEU  16 108.234  10.989   6.280

  No H/Q in entry =          11
  In of MODEL   12
    1    H    THR  17           H        THR  17 107.749  11.086  12.655
    2    HA   THR  17           HA       THR  17 110.165  10.147  13.763
    3    HB   THR  17           HB       THR  17 107.967  11.493  15.321
    4    HG1  THR  17           HG1      THR  17 109.584  12.389  13.300
    5   HG21  THR  17          HG21      THR  17 110.960  11.313  15.629
    6   HG22  THR  17          HG22      THR  17 109.921  12.378  16.574
    7   HG23  THR  17          HG23      THR  17 109.731  10.632  16.696

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  18           H        GLU  18 106.805   9.354  14.397
    2    HA   GLU  18           HA       GLU  18 107.403   7.543  16.487
    3    HB2  GLU  18           HB2      GLU  18 105.262   8.731  16.374
    4    HB3  GLU  18           HB3      GLU  18 104.884   7.868  14.889
    5    HG2  GLU  18           HG2      GLU  18 104.973   5.723  16.082
    6    HG3  GLU  18           HG3      GLU  18 105.395   6.561  17.573

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ASN  19           H        ASN  19 106.504   7.158  13.071
    2    HA   ASN  19           HA       ASN  19 106.365   4.361  13.102
    3    HB2  ASN  19           HB2      ASN  19 105.510   5.757  11.267
    4    HB3  ASN  19           HB3      ASN  19 107.164   6.120  10.796
    5   HD21  ASN  19          HD21      ASN  19 107.685   4.894   9.037
    6   HD22  ASN  19          HD22      ASN  19 107.277   3.265   8.815

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  20           H        LYS  20 109.158   6.415  12.341
    2    HA   LYS  20           HA       LYS  20 110.844   4.281  11.607
    3    HB2  LYS  20           HB2      LYS  20 112.715   5.780  12.064
    4    HB3  LYS  20           HB3      LYS  20 111.443   6.653  11.224
    5    HG2  LYS  20           HG2      LYS  20 110.604   7.363  13.528
    6    HG3  LYS  20           HG3      LYS  20 112.107   6.712  14.170
    7    HD2  LYS  20           HD2      LYS  20 112.000   8.806  11.980
    8    HD3  LYS  20           HD3      LYS  20 112.198   9.190  13.692
    9    HE2  LYS  20           HE2      LYS  20 114.197   7.554  13.631
   10    HE3  LYS  20           HE3      LYS  20 114.077   7.715  11.883
   11    HZ1  LYS  20           HZ1      LYS  20 113.936  10.273  12.764
   12    HZ2  LYS  20           HZ2      LYS  20 115.078   9.575  13.807
   13    HZ3  LYS  20           HZ3      LYS  20 115.317   9.518  12.126

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ASN  21           H        ASN  21 109.899   5.635  14.676
    2    HA   ASN  21           HA       ASN  21 111.728   4.151  16.293
    3    HB2  ASN  21           HB2      ASN  21 109.151   5.517  17.025
    4    HB3  ASN  21           HB3      ASN  21 110.326   4.886  18.166
    5   HD21  ASN  21          HD21      ASN  21 112.555   5.750  16.232
    6   HD22  ASN  21          HD22      ASN  21 112.702   7.420  16.496

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  22           H        LYS  22 108.440   3.603  15.168
    2    HA   LYS  22           HA       LYS  22 107.730   1.577  16.859
    3    HB2  LYS  22           HB2      LYS  22 107.007   2.216  14.054
    4    HB3  LYS  22           HB3      LYS  22 106.329   0.792  14.819
    5    HG2  LYS  22           HG2      LYS  22 105.767   2.583  16.759
    6    HG3  LYS  22           HG3      LYS  22 105.844   3.694  15.402
    7    HD2  LYS  22           HD2      LYS  22 104.126   1.199  15.478
    8    HD3  LYS  22           HD3      LYS  22 103.540   2.833  15.797
    9    HE2  LYS  22           HE2      LYS  22 104.224   3.536  13.546
   10    HE3  LYS  22           HE3      LYS  22 104.852   1.919  13.224
   11    HZ1  LYS  22           HZ1      LYS  22 102.275   1.566  14.132
   12    HZ2  LYS  22           HZ2      LYS  22 102.187   2.867  13.048
   13    HZ3  LYS  22           HZ3      LYS  22 102.830   1.380  12.537

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  23           HA       PRO  23 110.577  -1.760  15.919
    2    HB2  PRO  23           HB2      PRO  23 108.341  -3.619  16.581
    3    HB3  PRO  23           HB3      PRO  23 109.981  -3.539  17.248
    4    HG2  PRO  23           HG2      PRO  23 107.882  -2.680  18.643
    5    HG3  PRO  23           HG3      PRO  23 109.453  -1.859  18.716
    6    HD2  PRO  23           HD2      PRO  23 106.960  -1.016  17.272
    7    HD3  PRO  23           HD3      PRO  23 108.177  -0.040  18.127

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  24           H        GLY  24 111.037  -3.205  14.304
    2    HA2  GLY  24           HA2      GLY  24 109.024  -4.139  12.443
    3    HA3  GLY  24           HA3      GLY  24 110.738  -4.539  12.418

  No H/Q in entry =           3
  In of MODEL   12
    1    H    VAL  25           H        VAL  25 109.903  -1.222  12.715
    2    HA   VAL  25           HA       VAL  25 109.936  -0.711   9.847
    3    HB   VAL  25           HB       VAL  25 109.943   1.225  12.170

  No H/Q in entry =           3
  In of MODEL   12
    1    H    VAL  26           H        VAL  26 111.602   0.030   8.705
    2    HA   VAL  26           HA       VAL  26 114.158   0.634  10.098
    3    HB   VAL  26           HB       VAL  26 113.707  -0.791   7.467

  No H/Q in entry =           3
  In of MODEL   12
    1    H    VAL  27           H        VAL  27 114.704   2.705   9.830
    2    HA   VAL  27           HA       VAL  27 113.409   4.218   7.696
    3    HB   VAL  27           HB       VAL  27 113.172   5.160   9.911

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  28           H        LEU  28 114.370   5.474   6.242
    2    HA   LEU  28           HA       LEU  28 117.221   4.846   5.763
    3    HB2  LEU  28           HB2      LEU  28 115.056   5.590   3.789
    4    HB3  LEU  28           HB3      LEU  28 116.716   5.269   3.364
    5    HG   LEU  28           HG       LEU  28 114.884   3.260   4.685
    6   HD11  LEU  28          HD11      LEU  28 114.257   3.934   2.349
    7   HD12  LEU  28          HD12      LEU  28 115.852   3.437   1.817
    8   HD13  LEU  28          HD13      LEU  28 114.730   2.250   2.470
    9   HD21  LEU  28          HD21      LEU  28 117.718   3.175   3.611
   10   HD22  LEU  28          HD22      LEU  28 117.151   2.685   5.207
   11   HD23  LEU  28          HD23      LEU  28 116.748   1.720   3.796

  No H/Q in entry =          11
  In of MODEL   12
    1    HA   PRO  29           HA       PRO  29 118.315   9.059   5.989
    2    HB2  PRO  29           HB2      PRO  29 119.570   9.026   3.304
    3    HB3  PRO  29           HB3      PRO  29 120.302   9.389   4.878
    4    HG2  PRO  29           HG2      PRO  29 120.801   7.095   3.651
    5    HG3  PRO  29           HG3      PRO  29 120.576   7.146   5.412
    6    HD2  PRO  29           HD2      PRO  29 118.632   6.325   3.285
    7    HD3  PRO  29           HD3      PRO  29 118.988   5.530   4.829

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  30           H        SER  30 116.838   8.034   2.977
    2    HA   SER  30           HA       SER  30 116.119  10.622   2.050
    3    HB2  SER  30           HB2      SER  30 114.683   8.046   1.405
    4    HB3  SER  30           HB3      SER  30 114.807   9.495   0.411
    5    HG   SER  30           HG       SER  30 116.463   8.473  -0.402

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  31           H        GLY  31 115.061   8.759   4.617
    2    HA2  GLY  31           HA2      GLY  31 112.743  10.495   5.044
    3    HA3  GLY  31           HA3      GLY  31 113.515   9.473   6.249

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU  32           H        LEU  32 113.270   7.689   3.480
    2    HA   LEU  32           HA       LEU  32 110.512   6.908   3.721
    3    HB2  LEU  32           HB2      LEU  32 111.722   6.861   1.540
    4    HB3  LEU  32           HB3      LEU  32 112.762   5.610   2.157
    5    HG   LEU  32           HG       LEU  32 110.749   4.973   0.623
    6   HD11  LEU  32          HD11      LEU  32 111.221   3.455   3.180
    7   HD12  LEU  32          HD12      LEU  32 110.440   2.832   1.740
    8   HD13  LEU  32          HD13      LEU  32 112.129   3.311   1.686
    9   HD21  LEU  32          HD21      LEU  32 109.119   6.253   1.960
   10   HD22  LEU  32          HD22      LEU  32 108.640   4.593   1.697
   11   HD23  LEU  32          HD23      LEU  32 109.265   5.084   3.253

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLN  33           H        GLN  33 109.725   5.241   4.913
    2    HA   GLN  33           HA       GLN  33 111.658   3.511   6.340
    3    HB2  GLN  33           HB2      GLN  33 109.032   4.654   7.296
    4    HB3  GLN  33           HB3      GLN  33 110.013   3.513   8.181
    5    HG2  GLN  33           HG2      GLN  33 111.031   5.329   9.083
    6    HG3  GLN  33           HG3      GLN  33 111.818   5.488   7.538
    7   HE21  GLN  33          HE21      GLN  33 111.528   7.741   9.005
    8   HE22  GLN  33          HE22      GLN  33 110.374   8.727   8.257

  No H/Q in entry =           8
  In of MODEL   12
    1    H    TYR  34           H        TYR  34 111.251   1.361   6.397
    2    HA   TYR  34           HA       TYR  34 108.676   0.388   5.377
    3    HB2  TYR  34           HB2      TYR  34 109.751  -1.293   4.002
    4    HB3  TYR  34           HB3      TYR  34 110.227   0.316   3.477
    5    HD1  TYR  34           HD1      TYR  34 111.263  -2.585   5.511
    6    HD2  TYR  34           HD2      TYR  34 112.526   0.993   3.525
    7    HE1  TYR  34           HE1      TYR  34 113.628  -3.229   5.880
    8    HE2  TYR  34           HE2      TYR  34 114.894   0.356   3.890
    9    HH   TYR  34           HH       TYR  34 116.265  -1.042   5.120

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS  35           H        LYS  35 107.914  -1.418   6.191
    2    HA   LYS  35           HA       LYS  35 109.487  -2.729   8.301
    3    HB2  LYS  35           HB2      LYS  35 107.773  -1.248   9.232
    4    HB3  LYS  35           HB3      LYS  35 106.529  -2.095   8.343
    5    HG2  LYS  35           HG2      LYS  35 108.298  -3.785   9.983
    6    HG3  LYS  35           HG3      LYS  35 107.305  -2.683  10.910
    7    HD2  LYS  35           HD2      LYS  35 105.313  -3.542   9.700
    8    HD3  LYS  35           HD3      LYS  35 106.352  -4.718   8.895
    9    HE2  LYS  35           HE2      LYS  35 105.305  -5.736  10.859
   10    HE3  LYS  35           HE3      LYS  35 107.037  -5.586  11.099
   11    HZ1  LYS  35           HZ1      LYS  35 105.218  -3.457  11.999
   12    HZ2  LYS  35           HZ2      LYS  35 105.466  -4.834  12.964
   13    HZ3  LYS  35           HZ3      LYS  35 106.776  -3.833  12.553

  No H/Q in entry =          13
  In of MODEL   12
    1    H    VAL  36           H        VAL  36 109.551  -4.853   8.182
    2    HA   VAL  36           HA       VAL  36 108.179  -6.106   5.931
    3    HB   VAL  36           HB       VAL  36 110.494  -6.580   6.058

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ILE  37           H        ILE  37 106.165  -6.625   6.281
    2    HA   ILE  37           HA       ILE  37 105.139  -7.538   8.799
    3    HB   ILE  37           HB       ILE  37 103.862  -8.048   6.112
    4   HD11  ILE  37          HD11      ILE  37 104.221  -5.621   8.802
    5   HD12  ILE  37          HD12      ILE  37 104.094  -4.182   7.830
    6   HD13  ILE  37          HD13      ILE  37 102.648  -5.058   8.309

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ASN  38           H        ASN  38 106.173  -8.993   5.798
    2    HA   ASN  38           HA       ASN  38 106.539 -11.581   7.138
    3    HB2  ASN  38           HB2      ASN  38 105.074 -11.158   4.544
    4    HB3  ASN  38           HB3      ASN  38 105.527 -12.716   5.180
    5   HD21  ASN  38          HD21      ASN  38 103.528  -9.840   5.962
    6   HD22  ASN  38          HD22      ASN  38 102.442 -10.688   6.950

  No H/Q in entry =           6
  In of MODEL   12
    1    H    SER  39           H        SER  39 108.492 -12.408   6.623
    2    HA   SER  39           HA       SER  39 110.077 -11.101   4.545
    3    HB2  SER  39           HB2      SER  39 111.943 -12.025   5.543
    4    HB3  SER  39           HB3      SER  39 110.878 -11.843   6.934
    5    HG   SER  39           HG       SER  39 110.242 -14.133   5.905

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  40           H        GLY  40 110.461 -11.953   2.591
    2    HA2  GLY  40           HA2      GLY  40 109.405 -13.418   0.916
    3    HA3  GLY  40           HA3      GLY  40 109.629 -14.737   2.056

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASN  41           H        ASN  41 111.922 -12.158   1.502
    2    HA   ASN  41           HA       ASN  41 114.051 -12.123   0.652
    3    HB2  ASN  41           HB2      ASN  41 114.028 -15.038   1.430
    4    HB3  ASN  41           HB3      ASN  41 115.441 -13.999   1.246
    5   HD21  ASN  41          HD21      ASN  41 113.081 -12.032   2.530
    6   HD22  ASN  41          HD22      ASN  41 113.431 -12.223   4.183

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  42           H        GLY  42 111.829 -12.772  -1.161
    2    HA2  GLY  42           HA2      GLY  42 111.404 -13.883  -3.176
    3    HA3  GLY  42           HA3      GLY  42 112.972 -14.662  -3.072

  No H/Q in entry =           3
  In of MODEL   12
    1    H    VAL  43           H        VAL  43 112.008 -13.602  -5.352
    2    HA   VAL  43           HA       VAL  43 114.089 -11.849  -6.168
    3    HB   VAL  43           HB       VAL  43 113.018 -11.913  -8.345

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  44           H        LYS  44 113.203  -9.936  -7.649
    2    HA   LYS  44           HA       LYS  44 111.016  -8.447  -6.939
    3    HB2  LYS  44           HB2      LYS  44 111.725  -6.787  -5.381
    4    HB3  LYS  44           HB3      LYS  44 112.074  -8.325  -4.663
    5    HG2  LYS  44           HG2      LYS  44 114.261  -6.992  -6.234
    6    HG3  LYS  44           HG3      LYS  44 113.857  -6.343  -4.660
    7    HD2  LYS  44           HD2      LYS  44 114.218  -9.310  -4.825
    8    HD3  LYS  44           HD3      LYS  44 115.666  -8.323  -4.971
    9    HE2  LYS  44           HE2      LYS  44 115.416  -7.443  -2.796
   10    HE3  LYS  44           HE3      LYS  44 113.705  -7.846  -2.725
   11    HZ1  LYS  44           HZ1      LYS  44 115.745  -9.954  -3.018
   12    HZ2  LYS  44           HZ2      LYS  44 115.363  -9.328  -1.490
   13    HZ3  LYS  44           HZ3      LYS  44 114.160 -10.069  -2.430

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  45           HA       PRO  45 112.618  -6.227 -10.340
    2    HB2  PRO  45           HB2      PRO  45 110.866  -4.135 -10.404
    3    HB3  PRO  45           HB3      PRO  45 110.419  -5.798 -10.778
    4    HG2  PRO  45           HG2      PRO  45 109.749  -4.161  -8.436
    5    HG3  PRO  45           HG3      PRO  45 109.001  -5.637  -9.049
    6    HD2  PRO  45           HD2      PRO  45 110.860  -5.383  -6.866
    7    HD3  PRO  45           HD3      PRO  45 109.987  -6.831  -7.441

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  46           H        GLY  46 113.700  -4.502 -11.234
    2    HA2  GLY  46           HA2      GLY  46 115.445  -2.939 -11.115
    3    HA3  GLY  46           HA3      GLY  46 115.122  -2.736  -9.399

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  47           H        LYS  47 115.426  -0.460 -10.419
    2    HA   LYS  47           HA       LYS  47 113.067   0.942 -10.154
    3    HB2  LYS  47           HB2      LYS  47 114.199   2.873 -11.058
    4    HB3  LYS  47           HB3      LYS  47 115.288   2.005  -9.988
    5    HG2  LYS  47           HG2      LYS  47 115.280   1.497 -12.980
    6    HG3  LYS  47           HG3      LYS  47 116.187   2.824 -12.292
    7    HD2  LYS  47           HD2      LYS  47 117.878   1.395 -11.822
    8    HD3  LYS  47           HD3      LYS  47 116.845   0.525 -10.707
    9    HE2  LYS  47           HE2      LYS  47 117.828  -0.940 -12.410
   10    HE3  LYS  47           HE3      LYS  47 116.071  -0.907 -12.550
   11    HZ1  LYS  47           HZ1      LYS  47 116.724   1.101 -14.154
   12    HZ2  LYS  47           HZ2      LYS  47 118.109   0.137 -14.346
   13    HZ3  LYS  47           HZ3      LYS  47 116.577  -0.502 -14.700

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  48           H        SER  48 114.338  -0.677 -12.909
    2    HA   SER  48           HA       SER  48 112.311   0.644 -14.642
    3    HB2  SER  48           HB2      SER  48 114.833  -0.875 -15.296
    4    HB3  SER  48           HB3      SER  48 113.693  -0.293 -16.509
    5    HG   SER  48           HG       SER  48 114.274   1.657 -14.751

  No H/Q in entry =           5
  In of MODEL   12
    1    H    ASP  49           H        ASP  49 112.704  -2.186 -12.921
    2    HA   ASP  49           HA       ASP  49 111.480  -4.009 -14.869
    3    HB2  ASP  49           HB2      ASP  49 112.190  -4.199 -11.997
    4    HB3  ASP  49           HB3      ASP  49 111.418  -5.500 -12.851

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR  50           H        THR  50 109.411  -5.121 -14.240
    2    HA   THR  50           HA       THR  50 107.546  -3.174 -13.031
    3    HB   THR  50           HB       THR  50 106.796  -5.410 -14.887
    4    HG1  THR  50           HG1      THR  50 106.596  -3.089 -16.053
    5   HG21  THR  50          HG21      THR  50 105.384  -2.961 -13.861
    6   HG22  THR  50          HG22      THR  50 104.830  -3.901 -15.244
    7   HG23  THR  50          HG23      THR  50 104.921  -4.661 -13.659

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  51           H        VAL  51 105.971  -3.852 -11.577
    2    HA   VAL  51           HA       VAL  51 106.572  -6.439 -10.264
    3    HB   VAL  51           HB       VAL  51 107.500  -4.341  -9.182

  No H/Q in entry =           3
  In of MODEL   12
    1    H    THR  52           H        THR  52 104.854  -7.234  -8.813
    2    HA   THR  52           HA       THR  52 102.141  -6.251  -9.559
    3    HB   THR  52           HB       THR  52 103.050  -9.124  -9.348
    4    HG1  THR  52           HG1      THR  52 101.916  -7.876 -11.591
    5   HG21  THR  52          HG21      THR  52 100.358  -7.836  -9.622
    6   HG22  THR  52          HG22      THR  52 100.655  -9.447 -10.268
    7   HG23  THR  52          HG23      THR  52 100.870  -9.148  -8.555

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  53           H        VAL  53 101.145  -5.581  -7.703
    2    HA   VAL  53           HA       VAL  53 101.556  -7.138  -5.224
    3    HB   VAL  53           HB       VAL  53 102.232  -5.222  -3.962

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLU  54           H        GLU  54 100.215  -6.460  -3.401
    2    HA   GLU  54           HA       GLU  54  97.680  -5.072  -4.193
    3    HB2  GLU  54           HB2      GLU  54  97.676  -7.017  -1.878
    4    HB3  GLU  54           HB3      GLU  54  96.358  -6.425  -2.862
    5    HG2  GLU  54           HG2      GLU  54  96.612  -7.990  -4.468
    6    HG3  GLU  54           HG3      GLU  54  98.341  -8.074  -4.319

  No H/Q in entry =           6
  In of MODEL   12
    1    H    TYR  55           H        TYR  55  96.950  -3.457  -2.607
    2    HA   TYR  55           HA       TYR  55  98.516  -3.187  -0.166
    3    HB2  TYR  55           HB2      TYR  55  99.321  -0.917  -0.905
    4    HB3  TYR  55           HB3      TYR  55 100.015  -2.270  -1.806
    5    HD1  TYR  55           HD1      TYR  55  97.529   0.479  -1.932
    6    HD2  TYR  55           HD2      TYR  55  99.361  -2.742  -4.090
    7    HE1  TYR  55           HE1      TYR  55  96.492   1.305  -4.020
    8    HE2  TYR  55           HE2      TYR  55  98.330  -1.914  -6.177
    9    HH   TYR  55           HH       TYR  55  96.000  -0.336  -6.589

  No H/Q in entry =           9
  In of MODEL   12
    1    H    THR  56           H        THR  56  97.982  -1.298   1.140
    2    HA   THR  56           HA       THR  56  95.421  -0.024   0.525
    3    HB   THR  56           HB       THR  56  96.098  -1.393   3.072
    4    HG1  THR  56           HG1      THR  56  93.864  -1.134   1.382
    5   HG21  THR  56          HG21      THR  56  94.164   0.924   2.791
    6   HG22  THR  56          HG22      THR  56  94.310  -0.113   4.208
    7   HG23  THR  56          HG23      THR  56  95.641   0.943   3.753

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  57           H        GLY  57  95.490   2.148   0.567
    2    HA2  GLY  57           HA2      GLY  57  97.107   4.005   0.397
    3    HA3  GLY  57           HA3      GLY  57  97.891   3.365   1.831

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ARG  58           H        ARG  58  97.658   4.909   3.361
    2    HA   ARG  58           HA       ARG  58  95.131   6.317   3.578
    3    HB2  ARG  58           HB2      ARG  58  94.573   5.653   5.728
    4    HB3  ARG  58           HB3      ARG  58  95.027   4.157   4.924
    5    HG2  ARG  58           HG2      ARG  58  97.195   4.132   5.989
    6    HG3  ARG  58           HG3      ARG  58  96.964   5.743   6.657
    7    HD2  ARG  58           HD2      ARG  58  96.435   4.407   8.473
    8    HD3  ARG  58           HD3      ARG  58  94.860   4.717   7.782
    9    HE   ARG  58           HE       ARG  58  94.949   2.504   6.732
   10   HH11  ARG  58          HH11      ARG  58  97.230   3.141   9.300
   11   HH12  ARG  58          HH12      ARG  58  97.464   1.467   9.658
   12   HH21  ARG  58          HH21      ARG  58  95.298   0.338   7.211
   13   HH22  ARG  58          HH22      ARG  58  96.375  -0.110   8.490

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  59           H        LEU  59  95.120   7.867   5.382
    2    HA   LEU  59           HA       LEU  59  97.508   9.517   5.261
    3    HB2  LEU  59           HB2      LEU  59  94.685   9.817   6.033
    4    HB3  LEU  59           HB3      LEU  59  95.772  10.819   6.962
    5    HG   LEU  59           HG       LEU  59  96.737  11.529   4.642
    6   HD11  LEU  59          HD11      LEU  59  94.015  10.511   3.844
    7   HD12  LEU  59          HD12      LEU  59  95.081  11.452   2.847
    8   HD13  LEU  59          HD13      LEU  59  95.535   9.828   3.334
    9   HD21  LEU  59          HD21      LEU  59  95.282  12.913   6.233
   10   HD22  LEU  59          HD22      LEU  59  95.266  13.371   4.538
   11   HD23  LEU  59          HD23      LEU  59  93.925  12.469   5.210

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE  60           H        ILE  60  98.335  10.533   7.215
    2    HA   ILE  60           HA       ILE  60  99.275   8.680   9.120
    3    HB   ILE  60           HB       ILE  60 100.236  10.517  10.248
    4   HD11  ILE  60          HD11      ILE  60  98.880  12.767   7.591
    5   HD12  ILE  60          HD12      ILE  60  97.432  11.917   8.139
    6   HD13  ILE  60          HD13      ILE  60  97.720  13.559   8.663

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ASP  61           H        ASP  61  96.472  10.607   8.947
    2    HA   ASP  61           HA       ASP  61  95.781  10.261  11.769
    3    HB2  ASP  61           HB2      ASP  61  95.555  12.441  10.446
    4    HB3  ASP  61           HB3      ASP  61  94.137  11.701   9.697

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLY  62           H        GLY  62  95.543   8.315   9.211
    2    HA2  GLY  62           HA2      GLY  62  93.195   6.974  10.327
    3    HA3  GLY  62           HA3      GLY  62  94.361   6.292   9.229

  No H/Q in entry =           3
  In of MODEL   12
    1    H    THR  63           H        THR  63  93.474   9.285   7.976
    2    HA   THR  63           HA       THR  63  90.951   8.531   6.822
    3    HB   THR  63           HB       THR  63  92.777  10.621   5.670
    4    HG1  THR  63           HG1      THR  63  92.494  10.772   8.015
    5   HG21  THR  63          HG21      THR  63  90.601   9.875   4.579
    6   HG22  THR  63          HG22      THR  63  89.795  10.604   5.957
    7   HG23  THR  63          HG23      THR  63  90.772  11.603   4.889

  No H/Q in entry =           7
  In of MODEL   12
    1    H    VAL  64           H        VAL  64  90.861   6.799   5.544
    2    HA   VAL  64           HA       VAL  64  93.019   6.043   3.802
    3    HB   VAL  64           HB       VAL  64  90.224   4.945   3.960

  No H/Q in entry =           3
  In of MODEL   12
    1    H    PHE  65           H        PHE  65  93.393   6.528   1.809
    2    HA   PHE  65           HA       PHE  65  91.257   7.939   0.310
    3    HB2  PHE  65           HB2      PHE  65  92.876   9.387  -0.655
    4    HB3  PHE  65           HB3      PHE  65  93.140   9.375   1.084
    5    HD1  PHE  65           HD1      PHE  65  94.934   7.992   2.056
    6    HD2  PHE  65           HD2      PHE  65  94.626   8.683  -2.156
    7    HE1  PHE  65           HE1      PHE  65  97.337   7.433   1.800
    8    HE2  PHE  65           HE2      PHE  65  97.030   8.118  -2.423
    9    HZ   PHE  65           HZ       PHE  65  98.382   7.521  -0.432

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP  66           H        ASP  66  93.366   5.296   0.388
    2    HA   ASP  66           HA       ASP  66  92.371   4.422  -2.189
    3    HB2  ASP  66           HB2      ASP  66  94.510   5.780  -2.623
    4    HB3  ASP  66           HB3      ASP  66  95.367   4.451  -1.855

  No H/Q in entry =           4
  In of MODEL   12
    1    H    SER  67           H        SER  67  92.624   2.169  -2.564
    2    HA   SER  67           HA       SER  67  94.024   0.553  -0.681
    3    HB2  SER  67           HB2      SER  67  92.137  -0.589   0.300
    4    HB3  SER  67           HB3      SER  67  92.052   1.135   0.646
    5    HG   SER  67           HG       SER  67  90.640   1.288  -1.201

  No H/Q in entry =           5
  In of MODEL   12
    1    H    THR  68           H        THR  68  94.063  -1.686  -1.122
    2    HA   THR  68           HA       THR  68  92.745  -2.664  -3.532
    3    HB   THR  68           HB       THR  68  95.759  -2.490  -3.391
    4    HG1  THR  68           HG1      THR  68  94.126  -1.350  -5.366
    5   HG21  THR  68          HG21      THR  68  93.853  -3.748  -5.365
    6   HG22  THR  68          HG22      THR  68  95.530  -3.383  -5.755
    7   HG23  THR  68          HG23      THR  68  95.158  -4.524  -4.475

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  69           H        GLU  69  95.179  -3.240  -1.017
    2    HA   GLU  69           HA       GLU  69  95.204  -6.047  -1.242
    3    HB2  GLU  69           HB2      GLU  69  96.198  -6.068   0.966
    4    HB3  GLU  69           HB3      GLU  69  96.923  -4.862  -0.080
    5    HG2  GLU  69           HG2      GLU  69  96.638  -3.697   1.904
    6    HG3  GLU  69           HG3      GLU  69  95.272  -3.231   0.916

  No H/Q in entry =           6
  In of MODEL   12
    1    H    LYS  70           H        LYS  70  92.951  -3.861   0.184
    2    HA   LYS  70           HA       LYS  70  91.653  -5.514   1.985
    3    HB2  LYS  70           HB2      LYS  70  90.470  -3.467   0.116
    4    HB3  LYS  70           HB3      LYS  70  89.640  -4.145   1.517
    5    HG2  LYS  70           HG2      LYS  70  92.302  -2.744   1.658
    6    HG3  LYS  70           HG3      LYS  70  90.769  -1.907   1.902
    7    HD2  LYS  70           HD2      LYS  70  90.302  -3.699   3.718
    8    HD3  LYS  70           HD3      LYS  70  92.020  -4.072   3.611
    9    HE2  LYS  70           HE2      LYS  70  92.619  -1.809   4.167
   10    HE3  LYS  70           HE3      LYS  70  90.930  -1.307   4.146
   11    HZ1  LYS  70           HZ1      LYS  70  91.227  -3.533   5.838
   12    HZ2  LYS  70           HZ2      LYS  70  92.361  -2.352   6.287
   13    HZ3  LYS  70           HZ3      LYS  70  90.708  -1.969   6.229

  No H/Q in entry =          13
  In of MODEL   12
    1    H    THR  71           H        THR  71  91.344  -5.179  -1.481
    2    HA   THR  71           HA       THR  71  89.390  -7.290  -1.748
    3    HB   THR  71           HB       THR  71  89.907  -7.000  -4.211
    4    HG1  THR  71           HG1      THR  71  91.013  -4.705  -4.241
    5   HG21  THR  71          HG21      THR  71  88.076  -5.792  -2.981
    6   HG22  THR  71          HG22      THR  71  89.195  -4.447  -2.751
    7   HG23  THR  71          HG23      THR  71  88.701  -4.914  -4.378

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  72           H        GLY  72  92.855  -6.878  -1.879
    2    HA2  GLY  72           HA2      GLY  72  93.263  -9.717  -1.720
    3    HA3  GLY  72           HA3      GLY  72  94.512  -8.480  -1.663

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS  73           H        LYS  73  93.137  -7.381  -4.215
    2    HA   LYS  73           HA       LYS  73  94.108  -9.390  -6.128
    3    HB2  LYS  73           HB2      LYS  73  92.150  -7.147  -6.240
    4    HB3  LYS  73           HB3      LYS  73  93.003  -7.521  -7.734
    5    HG2  LYS  73           HG2      LYS  73  91.129  -8.865  -7.925
    6    HG3  LYS  73           HG3      LYS  73  92.269  -9.999  -7.224
    7    HD2  LYS  73           HD2      LYS  73  91.304  -9.142  -4.934
    8    HD3  LYS  73           HD3      LYS  73  89.966  -8.567  -5.911
    9    HE2  LYS  73           HE2      LYS  73  89.510 -10.772  -6.685
   10    HE3  LYS  73           HE3      LYS  73  90.965 -11.422  -5.951
   11    HZ1  LYS  73           HZ1      LYS  73  89.895 -10.423  -3.810
   12    HZ2  LYS  73           HZ2      LYS  73  88.453 -10.577  -4.695
   13    HZ3  LYS  73           HZ3      LYS  73  89.412 -11.944  -4.383

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  74           HA       PRO  74  97.818  -6.932  -6.293
    2    HB2  PRO  74           HB2      PRO  74  98.515  -8.685  -8.591
    3    HB3  PRO  74           HB3      PRO  74  99.423  -8.329  -7.113
    4    HG2  PRO  74           HG2      PRO  74  98.226 -10.670  -7.433
    5    HG3  PRO  74           HG3      PRO  74  98.242  -9.854  -5.866
    6    HD2  PRO  74           HD2      PRO  74  96.041 -10.000  -7.877
    7    HD3  PRO  74           HD3      PRO  74  96.016 -10.194  -6.116

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  75           H        ALA  75  98.757  -5.404  -7.582
    2    HA   ALA  75           HA       ALA  75  97.418  -4.718 -10.138
    3    HB1  ALA  75           HB1      ALA  75  96.929  -3.198  -8.079
    4    HB2  ALA  75           HB2      ALA  75  97.417  -2.434  -9.592
    5    HB3  ALA  75           HB3      ALA  75  98.590  -2.653  -8.299

  No H/Q in entry =           5
  In of MODEL   12
    1    H    THR  76           H        THR  76  98.890  -3.857 -11.749
    2    HA   THR  76           HA       THR  76 101.703  -4.510 -11.164
    3    HB   THR  76           HB       THR  76 101.037  -5.770 -12.994
    4    HG1  THR  76           HG1      THR  76 101.862  -3.709 -14.588
    5   HG21  THR  76          HG21      THR  76  99.631  -3.272 -13.971
    6   HG22  THR  76          HG22      THR  76  99.822  -4.733 -14.939
    7   HG23  THR  76          HG23      THR  76  98.881  -4.782 -13.449

  No H/Q in entry =           7
  In of MODEL   12
    1    H    PHE  77           H        PHE  77 103.270  -3.084 -11.142
    2    HA   PHE  77           HA       PHE  77 102.838  -0.422 -12.327
    3    HB2  PHE  77           HB2      PHE  77 104.151  -0.824  -9.655
    4    HB3  PHE  77           HB3      PHE  77 103.754   0.685 -10.441
    5    HD1  PHE  77           HD1      PHE  77 102.850  -1.159  -7.801
    6    HD2  PHE  77           HD2      PHE  77 101.053   0.522 -11.301
    7    HE1  PHE  77           HE1      PHE  77 100.657  -1.144  -6.659
    8    HE2  PHE  77           HE2      PHE  77  98.873   0.593 -10.161
    9    HZ   PHE  77           HZ       PHE  77  98.654  -0.252  -7.835

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLN  78           H        GLN  78 104.661   0.595 -12.940
    2    HA   GLN  78           HA       GLN  78 107.048  -1.075 -13.180
    3    HB2  GLN  78           HB2      GLN  78 106.163   1.431 -14.571
    4    HB3  GLN  78           HB3      GLN  78 107.822   0.874 -14.657
    5    HG2  GLN  78           HG2      GLN  78 106.955  -1.326 -15.464
    6    HG3  GLN  78           HG3      GLN  78 105.360  -0.603 -15.550
    7   HE21  GLN  78          HE21      GLN  78 107.455   1.834 -16.186
    8   HE22  GLN  78          HE22      GLN  78 107.516   1.758 -17.878

  No H/Q in entry =           8
  In of MODEL   12
    1    H    VAL  79           H        VAL  79 108.644  -0.774 -11.777
    2    HA   VAL  79           HA       VAL  79 108.379   0.823  -9.569
    3    HB   VAL  79           HB       VAL  79 111.019   0.022 -10.796

  No H/Q in entry =           3
  In of MODEL   12
    1    H    SER  80           H        SER  80 109.509   1.738 -12.768
    2    HA   SER  80           HA       SER  80 110.768   4.155 -11.895
    3    HB2  SER  80           HB2      SER  80 111.465   3.089 -13.946
    4    HB3  SER  80           HB3      SER  80 109.865   3.321 -14.635
    5    HG   SER  80           HG       SER  80 111.295   5.501 -13.586

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLN  81           H        GLN  81 107.535   3.251 -12.726
    2    HA   GLN  81           HA       GLN  81 106.712   6.075 -13.010
    3    HB2  GLN  81           HB2      GLN  81 105.017   3.592 -13.284
    4    HB3  GLN  81           HB3      GLN  81 104.592   5.232 -13.760
    5    HG2  GLN  81           HG2      GLN  81 106.818   3.555 -14.947
    6    HG3  GLN  81           HG3      GLN  81 105.251   3.949 -15.722
    7   HE21  GLN  81          HE21      GLN  81 108.304   4.739 -16.190
    8   HE22  GLN  81          HE22      GLN  81 108.196   6.408 -16.473

  No H/Q in entry =           8
  In of MODEL   12
    1    H    VAL  82           H        VAL  82 106.941   3.755 -10.519
    2    HA   VAL  82           HA       VAL  82 104.496   4.578  -9.206
    3    HB   VAL  82           HB       VAL  82 105.660   2.272  -9.171

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ILE  83           H        ILE  83 104.590   5.277  -6.808
    2    HA   ILE  83           HA       ILE  83 105.673   7.813  -6.721
    3    HB   ILE  83           HB       ILE  83 105.448   6.728  -3.997
    4   HD11  ILE  83          HD11      ILE  83 103.427   6.258  -2.884
    5   HD12  ILE  83          HD12      ILE  83 102.174   6.998  -3.883
    6   HD13  ILE  83          HD13      ILE  83 102.221   5.253  -3.669

  No H/Q in entry =           6
  In of MODEL   12
    1    HA   PRO  84           HA       PRO  84 110.040   7.396  -5.920
    2    HB2  PRO  84           HB2      PRO  84 109.740   9.123  -3.497
    3    HB3  PRO  84           HB3      PRO  84 110.853   9.298  -4.865
    4    HG2  PRO  84           HG2      PRO  84 108.724  10.864  -4.621
    5    HG3  PRO  84           HG3      PRO  84 109.245  10.276  -6.198
    6    HD2  PRO  84           HD2      PRO  84 106.972   9.375  -4.538
    7    HD3  PRO  84           HD3      PRO  84 107.073   9.480  -6.298

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  85           H        GLY  85 108.145   7.435  -2.901
    2    HA2  GLY  85           HA2      GLY  85 108.232   6.038  -1.075
    3    HA3  GLY  85           HA3      GLY  85 109.971   6.029  -1.305

  No H/Q in entry =           3
  In of MODEL   12
    1    H    TRP  86           H        TRP  86 107.281   4.907  -3.238
    2    HA   TRP  86           HA       TRP  86 107.549   2.116  -2.778
    3    HB2  TRP  86           HB2      TRP  86 106.178   3.905  -4.752
    4    HB3  TRP  86           HB3      TRP  86 106.320   2.202  -5.160
    5    HD1  TRP  86           HD1      TRP  86 105.045   4.278  -2.107
    6    HE1  TRP  86           HE1      TRP  86 102.947   3.118  -1.232
    7    HE3  TRP  86           HE3      TRP  86 104.990   0.258  -5.170
    8    HZ2  TRP  86           HZ2      TRP  86 101.454   0.739  -1.773
    9    HZ3  TRP  86           HZ3      TRP  86 103.232  -1.439  -4.966
   10    HH2  TRP  86           HH2      TRP  86 101.446  -1.201  -3.270

  No H/Q in entry =          10
  In of MODEL   12
    1    H    THR  87           H        THR  87 108.975   4.328  -5.150
    2    HA   THR  87           HA       THR  87 109.938   2.557  -7.013
    3    HB   THR  87           HB       THR  87 111.482   4.933  -5.979
    4    HG1  THR  87           HG1      THR  87 109.133   4.709  -7.474
    5   HG21  THR  87          HG21      THR  87 112.471   3.310  -7.730
    6   HG22  THR  87          HG22      THR  87 111.244   3.957  -8.802
    7   HG23  THR  87          HG23      THR  87 112.441   5.020  -8.131

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLU  88           H        GLU  88 111.666   3.706  -4.134
    2    HA   GLU  88           HA       GLU  88 113.860   1.917  -4.476
    3    HB2  GLU  88           HB2      GLU  88 113.928   4.139  -3.313
    4    HB3  GLU  88           HB3      GLU  88 113.066   3.386  -1.967
    5    HG2  GLU  88           HG2      GLU  88 114.853   1.762  -1.666
    6    HG3  GLU  88           HG3      GLU  88 115.697   2.381  -3.083

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ALA  89           H        ALA  89 111.022   1.886  -2.342
    2    HA   ALA  89           HA       ALA  89 111.709  -0.260  -0.719
    3    HB1  ALA  89           HB1      ALA  89 108.985   0.583  -1.692
    4    HB2  ALA  89           HB2      ALA  89 109.806   1.106  -0.221
    5    HB3  ALA  89           HB3      ALA  89 109.288  -0.566  -0.396

  No H/Q in entry =           5
  In of MODEL   12
    1    H    LEU  90           H        LEU  90 109.893  -0.451  -3.826
    2    HA   LEU  90           HA       LEU  90 109.358  -3.199  -3.725
    3    HB2  LEU  90           HB2      LEU  90 109.958  -1.495  -6.153
    4    HB3  LEU  90           HB3      LEU  90 109.205  -3.072  -6.191
    5    HG   LEU  90           HG       LEU  90 108.060  -0.755  -4.634
    6   HD11  LEU  90          HD11      LEU  90 107.630  -1.621  -7.477
    7   HD12  LEU  90          HD12      LEU  90 106.482  -0.611  -6.631
    8   HD13  LEU  90          HD13      LEU  90 108.127  -0.046  -6.908
    9   HD21  LEU  90          HD21      LEU  90 107.070  -3.454  -5.484
   10   HD22  LEU  90          HD22      LEU  90 107.093  -2.777  -3.878
   11   HD23  LEU  90          HD23      LEU  90 105.957  -2.179  -5.078

  No H/Q in entry =          11
  In of MODEL   12
    1    H    GLN  91           H        GLN  91 112.132  -1.425  -4.949
    2    HA   GLN  91           HA       GLN  91 113.539  -3.569  -6.055
    3    HB2  GLN  91           HB2      GLN  91 114.552  -0.996  -4.855
    4    HB3  GLN  91           HB3      GLN  91 115.481  -2.062  -5.907
    5    HG2  GLN  91           HG2      GLN  91 113.892  -1.719  -7.721
    6    HG3  GLN  91           HG3      GLN  91 112.858  -0.761  -6.669
    7   HE21  GLN  91          HE21      GLN  91 113.063   1.338  -7.552
    8   HE22  GLN  91          HE22      GLN  91 114.551   2.125  -7.782

  No H/Q in entry =           8
  In of MODEL   12
    1    H    LEU  92           H        LEU  92 113.114  -2.506  -2.784
    2    HA   LEU  92           HA       LEU  92 115.307  -4.242  -1.823
    3    HB2  LEU  92           HB2      LEU  92 113.607  -2.233  -0.337
    4    HB3  LEU  92           HB3      LEU  92 114.987  -3.109   0.323
    5    HG   LEU  92           HG       LEU  92 115.149  -1.226  -2.040
    6   HD11  LEU  92          HD11      LEU  92 115.793  -0.790   0.862
    7   HD12  LEU  92          HD12      LEU  92 116.216   0.310  -0.450
    8   HD13  LEU  92          HD13      LEU  92 114.525  -0.001  -0.074
    9   HD21  LEU  92          HD21      LEU  92 117.175  -2.731  -0.413
   10   HD22  LEU  92          HD22      LEU  92 116.985  -2.717  -2.164
   11   HD23  LEU  92          HD23      LEU  92 117.606  -1.298  -1.335

  No H/Q in entry =          11
  In of MODEL   12
    1    H    MET  93           H        MET  93 111.933  -4.232  -2.238
    2    HA   MET  93           HA       MET  93 111.386  -5.963   0.024
    3    HB2  MET  93           HB2      MET  93 109.733  -4.337  -0.594
    4    HB3  MET  93           HB3      MET  93 109.657  -4.988  -2.231
    5    HG2  MET  93           HG2      MET  93 108.577  -6.956  -1.533
    6    HG3  MET  93           HG3      MET  93 109.128  -6.781   0.133
    7    HE1  MET  93           HE1      MET  93 107.428  -5.286  -2.706
    8    HE2  MET  93           HE2      MET  93 105.794  -5.695  -2.210
    9    HE3  MET  93           HE3      MET  93 106.364  -4.035  -2.077

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   PRO  94           HA       PRO  94 112.367  -9.542  -2.715
    2    HB2  PRO  94           HB2      PRO  94 111.920 -11.126  -0.276
    3    HB3  PRO  94           HB3      PRO  94 113.354 -11.054  -1.309
    4    HG2  PRO  94           HG2      PRO  94 113.331  -9.983   1.137
    5    HG3  PRO  94           HG3      PRO  94 114.194  -9.207  -0.204
    6    HD2  PRO  94           HD2      PRO  94 111.507  -8.539   0.929
    7    HD3  PRO  94           HD3      PRO  94 112.835  -7.474   0.485

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  95           H        ALA  95 111.118 -11.084  -3.717
    2    HA   ALA  95           HA       ALA  95 108.334 -10.760  -3.600
    3    HB1  ALA  95           HB1      ALA  95 110.005 -12.857  -4.929
    4    HB2  ALA  95           HB2      ALA  95 108.245 -12.767  -5.079
    5    HB3  ALA  95           HB3      ALA  95 109.246 -11.440  -5.663

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  96           H        GLY  96 106.729 -11.755  -2.671
    2    HA2  GLY  96           HA2      GLY  96 107.207 -14.209  -1.145
    3    HA3  GLY  96           HA3      GLY  96 105.650 -13.474  -1.525

  No H/Q in entry =           3
  In of MODEL   12
    1    H    SER  97           H        SER  97 108.117 -11.313  -0.538
    2    HA   SER  97           HA       SER  97 107.405 -11.417   2.285
    3    HB2  SER  97           HB2      SER  97 109.251 -10.030   2.634
    4    HB3  SER  97           HB3      SER  97 109.749 -10.919   1.195
    5    HG   SER  97           HG       SER  97 108.854  -9.155  -0.025

  No H/Q in entry =           5
  In of MODEL   12
    1    H    THR  98           H        THR  98 106.037 -10.087   3.285
    2    HA   THR  98           HA       THR  98 104.685  -8.021   1.682
    3    HB   THR  98           HB       THR  98 103.746  -9.355   4.226
    4    HG1  THR  98           HG1      THR  98 103.886 -10.517   2.044
    5   HG21  THR  98          HG21      THR  98 102.505  -7.389   2.286
    6   HG22  THR  98          HG22      THR  98 101.586  -8.314   3.474
    7   HG23  THR  98          HG23      THR  98 102.814  -7.169   4.004

  No H/Q in entry =           7
  In of MODEL   12
    1    H    TRP  99           H        TRP  99 105.472  -6.052   2.006
    2    HA   TRP  99           HA       TRP  99 106.390  -5.345   4.733
    3    HB2  TRP  99           HB2      TRP  99 107.199  -4.200   2.059
    4    HB3  TRP  99           HB3      TRP  99 107.689  -3.530   3.601
    5    HD1  TRP  99           HD1      TRP  99 107.767  -7.250   3.796
    6    HE1  TRP  99           HE1      TRP  99 110.160  -8.096   3.599
    7    HE3  TRP  99           HE3      TRP  99 110.017  -2.955   2.193
    8    HZ2  TRP  99           HZ2      TRP  99 112.739  -7.075   2.872
    9    HZ3  TRP  99           HZ3      TRP  99 112.465  -2.934   1.758
   10    HH2  TRP  99           HH2      TRP  99 113.821  -4.983   2.099

  No H/Q in entry =          10
  In of MODEL   12
    1    H    GLU 100           H        GLU 100 106.198  -3.119   5.303
    2    HA   GLU 100           HA       GLU 100 103.914  -1.675   4.123
    3    HB2  GLU 100           HB2      GLU 100 104.588  -2.089   7.037
    4    HB3  GLU 100           HB3      GLU 100 103.639  -0.707   6.503
    5    HG2  GLU 100           HG2      GLU 100 101.980  -2.148   5.521
    6    HG3  GLU 100           HG3      GLU 100 102.928  -3.575   5.884

  No H/Q in entry =           6
  In of MODEL   12
    1    H    ILE 101           H        ILE 101 104.579   0.292   3.377
    2    HA   ILE 101           HA       ILE 101 107.010   1.401   4.545
    3    HB   ILE 101           HB       ILE 101 107.891   2.018   2.518
    4   HD11  ILE 101          HD11      ILE 101 107.866   2.782   0.288
    5   HD12  ILE 101          HD12      ILE 101 107.179   1.254  -0.256
    6   HD13  ILE 101          HD13      ILE 101 106.398   2.769  -0.675

  No H/Q in entry =           6
  In of MODEL   12
    1    H    TYR 102           H        TYR 102 107.082   3.385   5.143
    2    HA   TYR 102           HA       TYR 102 104.574   4.946   5.039
    3    HB2  TYR 102           HB2      TYR 102 106.899   5.146   6.961
    4    HB3  TYR 102           HB3      TYR 102 105.366   5.960   7.117
    5    HD1  TYR 102           HD1      TYR 102 106.394   2.363   6.458
    6    HD2  TYR 102           HD2      TYR 102 104.073   5.047   8.860
    7    HE1  TYR 102           HE1      TYR 102 105.508   0.464   7.678
    8    HE2  TYR 102           HE2      TYR 102 103.181   3.117  10.125
    9    HH   TYR 102           HH       TYR 102 103.956  -0.210   9.169

  No H/Q in entry =           9
  In of MODEL   12
    1    H    VAL 103           H        VAL 103 104.819   6.165   3.280
    2    HA   VAL 103           HA       VAL 103 107.360   7.142   2.467
    3    HB   VAL 103           HB       VAL 103 104.758   7.698   1.149

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO 104           HA       PRO 104 106.908  11.190   4.436
    2    HB2  PRO 104           HB2      PRO 104 109.090  11.747   2.457
    3    HB3  PRO 104           HB3      PRO 104 109.029  12.125   4.190
    4    HG2  PRO 104           HG2      PRO 104 110.516  10.104   3.228
    5    HG3  PRO 104           HG3      PRO 104 109.732  10.016   4.803
    6    HD2  PRO 104           HD2      PRO 104 109.038   8.621   2.297
    7    HD3  PRO 104           HD3      PRO 104 108.705   8.164   3.986

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER 105           H        SER 105 105.812  13.021   3.725
    2    HA   SER 105           HA       SER 105 104.241  12.914   1.483
    3    HB2  SER 105           HB2      SER 105 103.911  15.338   1.743
    4    HB3  SER 105           HB3      SER 105 103.842  14.504   3.291
    5    HG   SER 105           HG       SER 105 105.425  15.733   3.885

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY 106           H        GLY 106 107.508  14.160   1.790
    2    HA2  GLY 106           HA2      GLY 106 109.040  14.869   0.219
    3    HA3  GLY 106           HA3      GLY 106 107.679  15.414  -0.753

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LEU 107           H        LEU 107 108.119  12.122   0.355
    2    HA   LEU 107           HA       LEU 107 109.008  11.253  -2.329
    3    HB2  LEU 107           HB2      LEU 107 108.844   9.668   0.248
    4    HB3  LEU 107           HB3      LEU 107 109.577   9.136  -1.244
    5    HG   LEU 107           HG       LEU 107 110.527  11.383   0.539
    6   HD11  LEU 107          HD11      LEU 107 111.105   9.072   1.224
    7   HD12  LEU 107          HD12      LEU 107 111.856   8.824  -0.347
    8   HD13  LEU 107          HD13      LEU 107 112.526  10.008   0.768
    9   HD21  LEU 107          HD21      LEU 107 111.364  10.595  -2.241
   10   HD22  LEU 107          HD22      LEU 107 110.960  12.202  -1.645
   11   HD23  LEU 107          HD23      LEU 107 112.466  11.435  -1.154

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ALA 108           H        ALA 108 106.107  11.754  -0.848
    2    HA   ALA 108           HA       ALA 108 104.894   9.308  -1.916
    3    HB1  ALA 108           HB1      ALA 108 103.614  11.308  -0.065
    4    HB2  ALA 108           HB2      ALA 108 103.047   9.702  -0.484
    5    HB3  ALA 108           HB3      ALA 108 104.482   9.904   0.488

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR 109           H        TYR 109 102.810  11.984  -1.330
    2    HA   TYR 109           HA       TYR 109 102.494  12.262  -4.212
    3    HB2  TYR 109           HB2      TYR 109 100.541  12.444  -1.975
    4    HB3  TYR 109           HB3      TYR 109 100.179  13.125  -3.567
    5    HD1  TYR 109           HD1      TYR 109 100.310  10.127  -1.651
    6    HD2  TYR 109           HD2      TYR 109 100.667  11.618  -5.650
    7    HE1  TYR 109           HE1      TYR 109  99.971   7.874  -2.527
    8    HE2  TYR 109           HE2      TYR 109 100.390   9.356  -6.526
    9    HH   TYR 109           HH       TYR 109  99.552   6.668  -4.354

  No H/Q in entry =           9
  In of MODEL   12
    1    H    GLY 110           H        GLY 110 104.108  13.893  -2.004
    2    HA2  GLY 110           HA2      GLY 110 103.624  16.437  -3.439
    3    HA3  GLY 110           HA3      GLY 110 105.145  15.942  -2.730

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO 111           HA       PRO 111 104.195  18.215   0.921
    2    HB2  PRO 111           HB2      PRO 111 105.095  20.682   0.331
    3    HB3  PRO 111           HB3      PRO 111 106.193  19.299   0.466
    4    HG2  PRO 111           HG2      PRO 111 105.057  20.546  -1.997
    5    HG3  PRO 111           HG3      PRO 111 106.724  20.039  -1.664
    6    HD2  PRO 111           HD2      PRO 111 104.969  18.507  -3.086
    7    HD3  PRO 111           HD3      PRO 111 106.262  17.809  -2.099

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ARG 112           H        ARG 112 102.736  19.014  -2.041
    2    HA   ARG 112           HA       ARG 112 100.824  20.951  -0.896
    3    HB2  ARG 112           HB2      ARG 112 101.443  20.061  -3.721
    4    HB3  ARG 112           HB3      ARG 112 100.164  21.202  -3.308
    5    HG2  ARG 112           HG2      ARG 112 101.705  22.830  -2.532
    6    HG3  ARG 112           HG3      ARG 112 103.024  21.659  -2.444
    7    HD2  ARG 112           HD2      ARG 112 101.659  22.354  -5.051
    8    HD3  ARG 112           HD3      ARG 112 103.050  23.258  -4.455
    9    HE   ARG 112           HE       ARG 112 104.055  20.819  -4.332
   10   HH11  ARG 112          HH11      ARG 112 102.029  22.213  -6.786
   11   HH12  ARG 112          HH12      ARG 112 102.676  21.229  -8.054
   12   HH21  ARG 112          HH21      ARG 112 104.888  19.542  -5.989
   13   HH22  ARG 112          HH22      ARG 112 104.294  19.719  -7.606

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER 113           H        SER 113  98.490  20.609  -1.587
    2    HA   SER 113           HA       SER 113  97.696  17.914  -1.011
    3    HB2  SER 113           HB2      SER 113  95.848  20.042  -2.046
    4    HB3  SER 113           HB3      SER 113  95.509  18.731  -0.923
    5    HG   SER 113           HG       SER 113  95.822  20.953  -0.052

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL 114           H        VAL 114  98.321  16.522  -2.609
    2    HA   VAL 114           HA       VAL 114  97.405  17.105  -5.373
    3    HB   VAL 114           HB       VAL 114  99.397  14.986  -4.606

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLY 115           H        GLY 115  95.276  16.310  -4.025
    2    HA2  GLY 115           HA2      GLY 115  95.053  13.466  -3.734
    3    HA3  GLY 115           HA3      GLY 115  94.366  14.016  -5.253

  No H/Q in entry =           3
  In of MODEL   12
    1    H    GLY 116           H        GLY 116  92.599  12.835  -3.805
    2    HA2  GLY 116           HA2      GLY 116  90.532  13.003  -2.816
    3    HA3  GLY 116           HA3      GLY 116  90.564  14.683  -3.303

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO 117           HA       PRO 117  90.425  14.661   1.316
    2    HB2  PRO 117           HB2      PRO 117  91.253  12.471   2.745
    3    HB3  PRO 117           HB3      PRO 117  89.607  12.701   2.152
    4    HG2  PRO 117           HG2      PRO 117  91.809  11.109   0.983
    5    HG3  PRO 117           HG3      PRO 117  90.103  10.727   1.082
    6    HD2  PRO 117           HD2      PRO 117  91.225  11.578  -1.208
    7    HD3  PRO 117           HD3      PRO 117  89.566  12.025  -0.759

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ILE 118           H        ILE 118  93.204  13.468  -0.230
    2    HA   ILE 118           HA       ILE 118  95.131  13.948   1.807
    3    HB   ILE 118           HB       ILE 118  95.556  14.176  -1.180
    4   HD11  ILE 118          HD11      ILE 118  94.053  12.636  -1.811
    5   HD12  ILE 118          HD12      ILE 118  94.495  10.943  -1.708
    6   HD13  ILE 118          HD13      ILE 118  93.493  11.663  -0.462

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY 119           H        GLY 119  95.453  15.901   2.687
    2    HA2  GLY 119           HA2      GLY 119  95.121  18.208   2.942
    3    HA3  GLY 119           HA3      GLY 119  94.760  18.351   1.240

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO 120           HA       PRO 120  98.934  19.839   0.936
    2    HB2  PRO 120           HB2      PRO 120  99.394  21.845   2.686
    3    HB3  PRO 120           HB3      PRO 120  98.278  22.028   1.330
    4    HG2  PRO 120           HG2      PRO 120  97.645  21.356   4.153
    5    HG3  PRO 120           HG3      PRO 120  96.882  22.536   3.121
    6    HD2  PRO 120           HD2      PRO 120  95.810  20.110   3.578
    7    HD3  PRO 120           HD3      PRO 120  95.649  20.903   1.992

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ASN 121           H        ASN 121 101.028  19.374   1.539
    2    HA   ASN 121           HA       ASN 121 102.665  18.195   2.619
    3    HB2  ASN 121           HB2      ASN 121 102.313  20.573   3.770
    4    HB3  ASN 121           HB3      ASN 121 101.937  19.578   5.173
    5   HD21  ASN 121          HD21      ASN 121 103.681  17.965   5.830
    6   HD22  ASN 121          HD22      ASN 121 105.299  18.335   5.478

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLU 122           H        GLU 122 100.933  16.322   2.418
    2    HA   GLU 122           HA       GLU 122 100.525  15.168   5.112
    3    HB2  GLU 122           HB2      GLU 122  98.904  13.770   3.238
    4    HB3  GLU 122           HB3      GLU 122  98.368  14.818   4.549
    5    HG2  GLU 122           HG2      GLU 122  97.494  15.618   2.435
    6    HG3  GLU 122           HG3      GLU 122  98.669  16.769   3.066

  No H/Q in entry =           6
  In of MODEL   12
    1    H    THR 123           H        THR 123 101.239  13.262   5.604
    2    HA   THR 123           HA       THR 123 103.079  11.957   3.723
    3    HB   THR 123           HB       THR 123 102.583  11.535   6.669
    4    HG1  THR 123           HG1      THR 123 103.687  13.511   5.635
    5   HG21  THR 123          HG21      THR 123 103.435   9.521   5.475
    6   HG22  THR 123          HG22      THR 123 104.779  10.481   4.898
    7   HG23  THR 123          HG23      THR 123 104.596  10.172   6.622

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LEU 124           H        LEU 124 102.544  10.118   2.737
    2    HA   LEU 124           HA       LEU 124 100.077   8.710   3.613
    3    HB2  LEU 124           HB2      LEU 124 101.379   8.785   0.878
    4    HB3  LEU 124           HB3      LEU 124  99.931   7.887   1.285
    5    HG   LEU 124           HG       LEU 124  99.058   9.814   0.281
    6   HD11  LEU 124          HD11      LEU 124  98.160   9.474   2.612
    7   HD12  LEU 124          HD12      LEU 124  99.215  10.797   3.090
    8   HD13  LEU 124          HD13      LEU 124  97.947  11.081   1.920
    9   HD21  LEU 124          HD21      LEU 124 101.284  10.972   0.179
   10   HD22  LEU 124          HD22      LEU 124  99.901  12.022   0.453
   11   HD23  LEU 124          HD23      LEU 124 100.945  11.582   1.786

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE 125           H        ILE 125 100.088   6.555   3.854
    2    HA   ILE 125           HA       ILE 125 102.671   5.116   3.660
    3    HB   ILE 125           HB       ILE 125 102.299   5.271   5.996
    4   HD11  ILE 125          HD11      ILE 125 101.891   3.745   7.709
    5   HD12  ILE 125          HD12      ILE 125 100.772   2.423   7.424
    6   HD13  ILE 125          HD13      ILE 125 102.499   2.169   7.252

  No H/Q in entry =           6
  In of MODEL   12
    1    H    PHE 126           H        PHE 126 102.546   2.994   2.945
    2    HA   PHE 126           HA       PHE 126  99.898   2.011   2.190
    3    HB2  PHE 126           HB2      PHE 126 102.156   1.657   0.257
    4    HB3  PHE 126           HB3      PHE 126 100.409   1.587  -0.023
    5    HD1  PHE 126           HD1      PHE 126  99.326   3.465  -0.920
    6    HD2  PHE 126           HD2      PHE 126 103.088   3.930   1.082
    7    HE1  PHE 126           HE1      PHE 126  99.375   5.865  -1.556
    8    HE2  PHE 126           HE2      PHE 126 103.122   6.315   0.452
    9    HZ   PHE 126           HZ       PHE 126 101.284   7.285  -0.849

  No H/Q in entry =           9
  In of MODEL   12
    1    H    LYS 127           H        LYS 127  99.714  -0.230   2.002
    2    HA   LYS 127           HA       LYS 127 101.850  -1.727   3.324
    3    HB2  LYS 127           HB2      LYS 127  99.353  -3.191   2.797
    4    HB3  LYS 127           HB3      LYS 127 100.211  -2.979   4.304
    5    HG2  LYS 127           HG2      LYS 127  98.377  -0.928   3.080
    6    HG3  LYS 127           HG3      LYS 127  97.922  -2.049   4.352
    7    HD2  LYS 127           HD2      LYS 127  99.658  -1.102   5.836
    8    HD3  LYS 127           HD3      LYS 127 100.104   0.049   4.589
    9    HE2  LYS 127           HE2      LYS 127  97.855   1.015   4.631
   10    HE3  LYS 127           HE3      LYS 127  97.361  -0.169   5.842
   11    HZ1  LYS 127           HZ1      LYS 127  99.335   0.742   7.168
   12    HZ2  LYS 127           HZ2      LYS 127  99.255   2.076   6.117
   13    HZ3  LYS 127           HZ3      LYS 127  97.923   1.680   7.088

  No H/Q in entry =          13
  In of MODEL   12
    1    H    ILE 128           H        ILE 128 103.138  -2.932   2.012
    2    HA   ILE 128           HA       ILE 128 101.983  -3.531  -0.670
    3    HB   ILE 128           HB       ILE 128 104.943  -3.208  -0.242
    4   HD11  ILE 128          HD11      ILE 128 104.988  -0.672  -2.021
    5   HD12  ILE 128          HD12      ILE 128 104.732   0.546  -0.786
    6   HD13  ILE 128          HD13      ILE 128 105.887  -0.744  -0.502

  No H/Q in entry =           6
  In of MODEL   12
    1    H    HIS 129           H        HIS 129 101.625  -5.462  -1.099
    2    HA   HIS 129           HA       HIS 129 103.207  -7.657   0.089
    3    HB2  HIS 129           HB2      HIS 129 100.848  -7.799   0.669
    4    HB3  HIS 129           HB3      HIS 129 100.400  -7.585  -1.022
    5    HD2  HIS 129           HD2      HIS 129 103.267 -10.137   0.013
    6    HE1  HIS 129           HE1      HIS 129 100.004 -12.253  -1.652
    7    HE2  HIS 129           HE2      HIS 129 102.410 -12.448  -0.896

  No H/Q in entry =           7
  In of MODEL   12
    1    H    LEU 130           H        LEU 130 104.590  -8.664  -1.303
    2    HA   LEU 130           HA       LEU 130 104.227  -8.125  -4.154
    3    HB2  LEU 130           HB2      LEU 130 106.476  -8.124  -2.550
    4    HB3  LEU 130           HB3      LEU 130 106.588  -9.645  -3.384
    5    HG   LEU 130           HG       LEU 130 106.163  -7.007  -4.748
    6   HD11  LEU 130          HD11      LEU 130 108.628  -8.688  -4.373
    7   HD12  LEU 130          HD12      LEU 130 108.515  -7.468  -5.623
    8   HD13  LEU 130          HD13      LEU 130 108.409  -7.007  -3.927
    9   HD21  LEU 130          HD21      LEU 130 105.210  -8.967  -5.965
   10   HD22  LEU 130          HD22      LEU 130 106.568  -8.270  -6.804
   11   HD23  LEU 130          HD23      LEU 130 106.798  -9.733  -5.877

  No H/Q in entry =          11
  In of MODEL   12
    1    H    ILE 131           H        ILE 131 103.021  -9.460  -5.272
    2    HA   ILE 131           HA       ILE 131 102.875 -12.296  -4.568
    3    HB   ILE 131           HB       ILE 131 101.308 -10.560  -6.495
    4   HD11  ILE 131          HD11      ILE 131 100.239  -9.065  -5.067
    5   HD12  ILE 131          HD12      ILE 131  99.716  -9.508  -3.448
    6   HD13  ILE 131          HD13      ILE 131 101.426  -9.374  -3.801

  No H/Q in entry =           6
  In of MODEL   12
    1    H    SER 132           H        SER 132 103.735 -10.252  -7.390
    2    HA   SER 132           HA       SER 132 105.523 -12.375  -8.309
    3    HB2  SER 132           HB2      SER 132 104.483 -12.847 -10.332
    4    HB3  SER 132           HB3      SER 132 103.084 -12.634  -9.279
    5    HG   SER 132           HG       SER 132 103.831 -11.214 -11.436

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL 133           H        VAL 133 106.985 -11.689  -9.968
    2    HA   VAL 133           HA       VAL 133 107.221  -8.743 -10.285
    3    HB   VAL 133           HB       VAL 133 109.453 -10.726  -9.732

  No H/Q in entry =           3
  In of MODEL   12
    1    H    LYS 134           H        LYS 134 107.655  -8.097 -12.324
    2    HA   LYS 134           HA       LYS 134 107.574  -9.895 -14.490
    3    HB2  LYS 134           HB2      LYS 134 106.568  -7.734 -14.723
    4    HB3  LYS 134           HB3      LYS 134 108.063  -6.983 -14.194
    5    HG2  LYS 134           HG2      LYS 134 107.702  -6.748 -16.640
    6    HG3  LYS 134           HG3      LYS 134 109.191  -7.585 -16.267
    7    HD2  LYS 134           HD2      LYS 134 107.932  -9.756 -16.580
    8    HD3  LYS 134           HD3      LYS 134 106.579  -8.803 -17.181
    9    HE2  LYS 134           HE2      LYS 134 109.359  -8.539 -18.335
   10    HE3  LYS 134           HE3      LYS 134 108.213  -9.741 -18.932
   11    HZ1  LYS 134           HZ1      LYS 134 106.898  -7.277 -18.707
   12    HZ2  LYS 134           HZ2      LYS 134 108.342  -7.023 -19.565
   13    HZ3  LYS 134           HZ3      LYS 134 107.215  -8.175 -20.109

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LYS 135           H        LYS 135 109.819  -7.352 -14.234
    2    HA   LYS 135           HA       LYS 135 112.090  -7.192 -14.129
    3    HB2  LYS 135           HB2      LYS 135 111.819  -9.651 -13.131
    4    HB3  LYS 135           HB3      LYS 135 112.584 -10.081 -14.646
    5    HG2  LYS 135           HG2      LYS 135 113.658  -8.030 -12.694
    6    HG3  LYS 135           HG3      LYS 135 114.156  -9.713 -12.757
    7    HD2  LYS 135           HD2      LYS 135 114.459  -7.708 -15.006
    8    HD3  LYS 135           HD3      LYS 135 115.752  -8.276 -13.968
    9    HE2  LYS 135           HE2      LYS 135 114.792 -10.638 -14.853
   10    HE3  LYS 135           HE3      LYS 135 114.419  -9.642 -16.246
   11    HZ1  LYS 135           HZ1      LYS 135 117.073  -9.756 -14.928
   12    HZ2  LYS 135           HZ2      LYS 135 116.652 -10.671 -16.296
   13    HZ3  LYS 135           HZ3      LYS 135 116.683  -8.983 -16.385

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER 136           H        SER 136 113.112  -6.346 -15.650
    2    HA   SER 136           HA       SER 136 112.918  -7.397 -18.424
    3    HB2  SER 136           HB2      SER 136 111.684  -5.408 -18.419
    4    HB3  SER 136           HB3      SER 136 112.759  -4.663 -17.231
    5    HG   SER 136           HG       SER 136 113.671  -5.434 -19.794

  No H/Q in entry =           5
  In of MODEL   12
    1    H    SER 137           H        SER 137 114.860  -5.518 -16.113
    2    HA   SER 137           HA       SER 137 117.108  -5.075 -15.972
    3    HB2  SER 137           HB2      SER 137 117.250  -7.499 -15.655
    4    HB3  SER 137           HB3      SER 137 117.295  -7.731 -17.404
    5    HG   SER 137           HG       SER 137 119.211  -6.591 -15.684

  No H/Q in entry =           5
  In of MODEL   13
    1    H1   PHE   1           H1       PHE   1  94.026  28.694   6.400
    2    H2   PHE   1           H2       PHE   1  92.467  28.911   5.761
    3    H3   PHE   1           H3       PHE   1  92.776  27.634   6.838
    4    HA   PHE   1           HA       PHE   1  92.720  26.616   4.757
    5    HB2  PHE   1           HB2      PHE   1  92.818  28.764   3.482
    6    HB3  PHE   1           HB3      PHE   1  94.550  28.838   3.802
    7    HD1  PHE   1           HD1      PHE   1  96.034  27.861   2.271
    8    HD2  PHE   1           HD2      PHE   1  91.958  26.498   2.426
    9    HE1  PHE   1           HE1      PHE   1  96.455  26.385   0.325
   10    HE2  PHE   1           HE2      PHE   1  92.384  25.021   0.478
   11    HZ   PHE   1           HZ       PHE   1  94.631  24.965  -0.572

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ASN   2           H        ASN   2  95.733  28.296   5.665
    2    HA   ASN   2           HA       ASN   2  97.442  26.094   5.117
    3    HB2  ASN   2           HB2      ASN   2  97.967  28.329   7.074
    4    HB3  ASN   2           HB3      ASN   2  99.153  27.336   6.243
    5   HD21  ASN   2          HD21      ASN   2  99.226  30.168   5.979
    6   HD22  ASN   2          HD22      ASN   2  98.799  30.576   4.388

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS   3           H        LYS   3  95.485  26.994   7.870
    2    HA   LYS   3           HA       LYS   3  96.717  25.768   9.979
    3    HB2  LYS   3           HB2      LYS   3  94.582  25.532  11.014
    4    HB3  LYS   3           HB3      LYS   3  94.462  26.954   9.980
    5    HG2  LYS   3           HG2      LYS   3  93.386  25.569   8.218
    6    HG3  LYS   3           HG3      LYS   3  93.483  24.168   9.277
    7    HD2  LYS   3           HD2      LYS   3  92.072  25.286  10.927
    8    HD3  LYS   3           HD3      LYS   3  91.922  26.685   9.854
    9    HE2  LYS   3           HE2      LYS   3  90.890  25.317   8.149
   10    HE3  LYS   3           HE3      LYS   3  91.205  23.857   9.086
   11    HZ1  LYS   3           HZ1      LYS   3  89.670  25.999  10.360
   12    HZ2  LYS   3           HZ2      LYS   3  88.890  25.073   9.168
   13    HZ3  LYS   3           HZ3      LYS   3  89.543  24.318  10.542

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LYS   4           H        LYS   4  94.805  24.181   7.432
    2    HA   LYS   4           HA       LYS   4  94.867  21.625   8.560
    3    HB2  LYS   4           HB2      LYS   4  93.608  22.656   6.472
    4    HB3  LYS   4           HB3      LYS   4  94.934  21.909   5.584
    5    HG2  LYS   4           HG2      LYS   4  93.137  20.492   7.578
    6    HG3  LYS   4           HG3      LYS   4  92.949  20.427   5.830
    7    HD2  LYS   4           HD2      LYS   4  95.379  19.532   5.786
    8    HD3  LYS   4           HD3      LYS   4  95.174  19.307   7.523
    9    HE2  LYS   4           HE2      LYS   4  93.315  17.816   7.228
   10    HE3  LYS   4           HE3      LYS   4  93.211  18.177   5.507
   11    HZ1  LYS   4           HZ1      LYS   4  95.572  17.273   5.416
   12    HZ2  LYS   4           HZ2      LYS   4  95.254  16.606   6.940
   13    HZ3  LYS   4           HZ3      LYS   4  94.309  16.159   5.601

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ALA   5           H        ALA   5  97.084  23.294   6.391
    2    HA   ALA   5           HA       ALA   5  98.872  21.246   5.791
    3    HB1  ALA   5           HB1      ALA   5 100.419  22.978   5.226
    4    HB2  ALA   5           HB2      ALA   5  99.686  24.089   6.364
    5    HB3  ALA   5           HB3      ALA   5  98.828  23.656   4.893

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASP   6           H        ASP   6  98.550  23.258   8.631
    2    HA   ASP   6           HA       ASP   6 100.968  22.432   9.878
    3    HB2  ASP   6           HB2      ASP   6  98.480  23.766  10.852
    4    HB3  ASP   6           HB3      ASP   6  99.677  23.199  11.992

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLU   7           H        GLU   7  97.626  21.178   9.925
    2    HA   GLU   7           HA       GLU   7  98.032  19.339  12.047
    3    HB2  GLU   7           HB2      GLU   7  96.173  18.952   9.743
    4    HB3  GLU   7           HB3      GLU   7  96.012  18.299  11.366
    5    HG2  GLU   7           HG2      GLU   7  95.911  20.677  12.187
    6    HG3  GLU   7           HG3      GLU   7  95.776  21.161  10.506

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ASN   8           H        ASN   8  98.028  18.921   8.585
    2    HA   ASN   8           HA       ASN   8  98.760  16.225   8.481
    3    HB2  ASN   8           HB2      ASN   8  99.584  18.395   6.565
    4    HB3  ASN   8           HB3      ASN   8  99.424  16.690   6.215
    5   HD21  ASN   8          HD21      ASN   8  97.966  18.113   4.559
    6   HD22  ASN   8          HD22      ASN   8  96.329  18.122   4.983

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS   9           H        LYS   9 100.524  19.161   8.807
    2    HA   LYS   9           HA       LYS   9 103.166  18.169   8.499
    3    HB2  LYS   9           HB2      LYS   9 103.029  20.467   8.273
    4    HB3  LYS   9           HB3      LYS   9 101.824  20.590   9.515
    5    HG2  LYS   9           HG2      LYS   9 103.456  20.412  11.255
    6    HG3  LYS   9           HG3      LYS   9 104.706  20.015  10.079
    7    HD2  LYS   9           HD2      LYS   9 104.372  22.258   9.036
    8    HD3  LYS   9           HD3      LYS   9 103.217  22.636  10.304
    9    HE2  LYS   9           HE2      LYS   9 106.000  21.730  11.014
   10    HE3  LYS   9           HE3      LYS   9 105.672  23.421  10.633
   11    HZ1  LYS   9           HZ1      LYS   9 104.207  21.841  12.677
   12    HZ2  LYS   9           HZ2      LYS   9 105.490  22.895  13.022
   13    HZ3  LYS   9           HZ3      LYS   9 104.045  23.502  12.369

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  10           H        VAL  10 101.290  18.913  11.476
    2    HA   VAL  10           HA       VAL  10 103.372  17.945  13.164
    3    HB   VAL  10           HB       VAL  10 100.475  18.514  13.717

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  11           H        LYS  11 100.285  16.512  12.164
    2    HA   LYS  11           HA       LYS  11 100.636  14.118  13.591
    3    HB2  LYS  11           HB2      LYS  11  99.043  14.816  11.164
    4    HB3  LYS  11           HB3      LYS  11  99.064  13.200  11.826
    5    HG2  LYS  11           HG2      LYS  11  97.187  14.133  12.864
    6    HG3  LYS  11           HG3      LYS  11  98.434  14.344  14.085
    7    HD2  LYS  11           HD2      LYS  11  98.812  16.664  13.156
    8    HD3  LYS  11           HD3      LYS  11  97.384  16.420  12.150
    9    HE2  LYS  11           HE2      LYS  11  97.582  16.592  15.146
   10    HE3  LYS  11           HE3      LYS  11  96.517  17.484  14.057
   11    HZ1  LYS  11           HZ1      LYS  11  96.366  14.547  14.440
   12    HZ2  LYS  11           HZ2      LYS  11  95.429  15.651  15.330
   13    HZ3  LYS  11           HZ3      LYS  11  95.243  15.545  13.647

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLY  12           H        GLY  12 101.564  15.216  10.416
    2    HA2  GLY  12           HA2      GLY  12 102.964  14.313   8.813
    3    HA3  GLY  12           HA3      GLY  12 102.633  12.737   9.498

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  13           H        GLU  13 104.171  15.600  10.996
    2    HA   GLU  13           HA       GLU  13 106.825  14.630  10.836
    3    HB2  GLU  13           HB2      GLU  13 105.469  16.587  12.700
    4    HB3  GLU  13           HB3      GLU  13 107.171  16.170  12.879
    5    HG2  GLU  13           HG2      GLU  13 107.677  16.962  10.672
    6    HG3  GLU  13           HG3      GLU  13 105.975  17.190  10.305

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  14           H        ALA  14 104.181  14.055  12.999
    2    HA   ALA  14           HA       ALA  14 105.711  12.694  14.989
    3    HB1  ALA  14           HB1      ALA  14 103.612  13.886  15.516
    4    HB2  ALA  14           HB2      ALA  14 102.729  12.725  14.527
    5    HB3  ALA  14           HB3      ALA  14 103.550  12.190  15.990

  No H/Q in entry =           5
  In of MODEL   13
    1    H    PHE  15           H        PHE  15 103.828  11.927  12.199
    2    HA   PHE  15           HA       PHE  15 103.516   9.148  12.532
    3    HB2  PHE  15           HB2      PHE  15 102.329  10.719  10.978
    4    HB3  PHE  15           HB3      PHE  15 103.777  10.762   9.999
    5    HD1  PHE  15           HD1      PHE  15 104.382   8.942   8.599
    6    HD2  PHE  15           HD2      PHE  15 100.996   8.671  11.212
    7    HE1  PHE  15           HE1      PHE  15 103.527   7.008   7.309
    8    HE2  PHE  15           HE2      PHE  15 100.168   6.705   9.950
    9    HZ   PHE  15           HZ       PHE  15 101.436   5.891   7.988

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LEU  16           H        LEU  16 105.950  11.019  10.704
    2    HA   LEU  16           HA       LEU  16 107.456   8.637  10.077
    3    HB2  LEU  16           HB2      LEU  16 108.189  11.565   9.879
    4    HB3  LEU  16           HB3      LEU  16 109.277  10.267   9.431
    5    HG   LEU  16           HG       LEU  16 107.227   9.465   7.947
    6   HD11  LEU  16          HD11      LEU  16 106.648  12.382   8.475
    7   HD12  LEU  16          HD12      LEU  16 106.179  11.626   6.956
    8   HD13  LEU  16          HD13      LEU  16 105.535  11.018   8.484
    9   HD21  LEU  16          HD21      LEU  16 109.205  11.659   7.369
   10   HD22  LEU  16          HD22      LEU  16 109.288   9.952   6.962
   11   HD23  LEU  16          HD23      LEU  16 108.154  10.996   6.124

  No H/Q in entry =          11
  In of MODEL   13
    1    H    THR  17           H        THR  17 107.655  11.199  12.466
    2    HA   THR  17           HA       THR  17 110.147  10.455  13.540
    3    HB   THR  17           HB       THR  17 107.826  11.772  14.947
    4    HG1  THR  17           HG1      THR  17 110.052  12.697  13.483
    5   HG21  THR  17          HG21      THR  17 110.733  11.472  15.663
    6   HG22  THR  17          HG22      THR  17 109.624  12.591  16.457
    7   HG23  THR  17          HG23      THR  17 109.345  10.857  16.561

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  18           H        GLU  18 106.847   9.469  14.293
    2    HA   GLU  18           HA       GLU  18 107.644   7.769  16.410
    3    HB2  GLU  18           HB2      GLU  18 105.442   8.841  16.358
    4    HB3  GLU  18           HB3      GLU  18 105.038   7.894  14.931
    5    HG2  GLU  18           HG2      GLU  18 105.242   5.825  16.174
    6    HG3  GLU  18           HG3      GLU  18 105.823   6.690  17.593

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ASN  19           H        ASN  19 106.567   7.189  13.057
    2    HA   ASN  19           HA       ASN  19 106.616   4.385  13.222
    3    HB2  ASN  19           HB2      ASN  19 105.589   5.714  11.394
    4    HB3  ASN  19           HB3      ASN  19 107.202   6.007  10.753
    5   HD21  ASN  19          HD21      ASN  19 107.434   4.634   9.001
    6   HD22  ASN  19          HD22      ASN  19 107.028   2.987   9.002

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  20           H        LYS  20 109.247   6.550  12.211
    2    HA   LYS  20           HA       LYS  20 111.027   4.497  11.454
    3    HB2  LYS  20           HB2      LYS  20 112.827   6.099  11.794
    4    HB3  LYS  20           HB3      LYS  20 111.471   6.889  11.000
    5    HG2  LYS  20           HG2      LYS  20 110.708   7.590  13.351
    6    HG3  LYS  20           HG3      LYS  20 112.285   7.039  13.910
    7    HD2  LYS  20           HD2      LYS  20 111.927   9.086  11.702
    8    HD3  LYS  20           HD3      LYS  20 112.196   9.508  13.394
    9    HE2  LYS  20           HE2      LYS  20 114.288   8.009  13.252
   10    HE3  LYS  20           HE3      LYS  20 114.067   8.106  11.508
   11    HZ1  LYS  20           HZ1      LYS  20 113.867  10.635  12.016
   12    HZ2  LYS  20           HZ2      LYS  20 114.750  10.225  13.408
   13    HZ3  LYS  20           HZ3      LYS  20 115.395   9.908  11.872

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ASN  21           H        ASN  21 110.204   5.876  14.552
    2    HA   ASN  21           HA       ASN  21 112.266   4.545  16.037
    3    HB2  ASN  21           HB2      ASN  21 109.812   6.109  16.733
    4    HB3  ASN  21           HB3      ASN  21 110.655   5.213  17.987
    5   HD21  ASN  21          HD21      ASN  21 110.797   8.039  15.933
    6   HD22  ASN  21          HD22      ASN  21 112.250   8.660  16.552

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  22           H        LYS  22 108.961   3.827  15.178
    2    HA   LYS  22           HA       LYS  22 108.465   1.809  16.999
    3    HB2  LYS  22           HB2      LYS  22 107.436   2.355  14.257
    4    HB3  LYS  22           HB3      LYS  22 106.839   1.003  15.198
    5    HG2  LYS  22           HG2      LYS  22 106.727   3.211  16.989
    6    HG3  LYS  22           HG3      LYS  22 106.207   3.863  15.447
    7    HD2  LYS  22           HD2      LYS  22 105.048   1.316  16.580
    8    HD3  LYS  22           HD3      LYS  22 104.375   2.907  16.925
    9    HE2  LYS  22           HE2      LYS  22 103.821   3.293  14.662
   10    HE3  LYS  22           HE3      LYS  22 104.884   2.003  14.095
   11    HZ1  LYS  22           HZ1      LYS  22 103.365   0.506  15.504
   12    HZ2  LYS  22           HZ2      LYS  22 102.263   1.798  15.434
   13    HZ3  LYS  22           HZ3      LYS  22 102.784   1.052  14.002

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  23           HA       PRO  23 111.402  -1.387  15.697
    2    HB2  PRO  23           HB2      PRO  23 109.358  -3.220  16.884
    3    HB3  PRO  23           HB3      PRO  23 111.109  -3.153  17.162
    4    HG2  PRO  23           HG2      PRO  23 109.376  -2.203  18.957
    5    HG3  PRO  23           HG3      PRO  23 110.941  -1.421  18.660
    6    HD2  PRO  23           HD2      PRO  23 108.207  -0.519  17.840
    7    HD3  PRO  23           HD3      PRO  23 109.655   0.434  18.242

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  24           H        GLY  24 111.553  -2.927  14.096
    2    HA2  GLY  24           HA2      GLY  24 109.199  -3.833  12.641
    3    HA3  GLY  24           HA3      GLY  24 110.859  -4.364  12.376

  No H/Q in entry =           3
  In of MODEL   13
    1    H    VAL  25           H        VAL  25 110.290  -1.004  12.716
    2    HA   VAL  25           HA       VAL  25 110.075  -0.547   9.822
    3    HB   VAL  25           HB       VAL  25 110.143   1.419  12.119

  No H/Q in entry =           3
  In of MODEL   13
    1    H    VAL  26           H        VAL  26 111.748   0.106   8.623
    2    HA   VAL  26           HA       VAL  26 114.302   0.845   9.966
    3    HB   VAL  26           HB       VAL  26 113.917  -0.576   7.317

  No H/Q in entry =           3
  In of MODEL   13
    1    H    VAL  27           H        VAL  27 114.795   2.921   9.658
    2    HA   VAL  27           HA       VAL  27 113.516   4.359   7.457
    3    HB   VAL  27           HB       VAL  27 113.232   5.364   9.664

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  28           H        LEU  28 114.502   5.598   6.004
    2    HA   LEU  28           HA       LEU  28 117.369   4.987   5.607
    3    HB2  LEU  28           HB2      LEU  28 115.280   5.675   3.538
    4    HB3  LEU  28           HB3      LEU  28 116.934   5.247   3.200
    5    HG   LEU  28           HG       LEU  28 114.996   3.401   4.595
    6   HD11  LEU  28          HD11      LEU  28 114.426   4.013   2.192
    7   HD12  LEU  28          HD12      LEU  28 115.967   3.316   1.729
    8   HD13  LEU  28          HD13      LEU  28 114.729   2.305   2.462
    9   HD21  LEU  28          HD21      LEU  28 117.786   3.096   3.430
   10   HD22  LEU  28          HD22      LEU  28 117.299   2.833   5.105
   11   HD23  LEU  28          HD23      LEU  28 116.757   1.728   3.849

  No H/Q in entry =          11
  In of MODEL   13
    1    HA   PRO  29           HA       PRO  29 118.463   9.218   5.655
    2    HB2  PRO  29           HB2      PRO  29 119.654   9.015   2.940
    3    HB3  PRO  29           HB3      PRO  29 120.414   9.525   4.457
    4    HG2  PRO  29           HG2      PRO  29 120.943   7.154   3.421
    5    HG3  PRO  29           HG3      PRO  29 120.739   7.340   5.175
    6    HD2  PRO  29           HD2      PRO  29 118.809   6.277   3.155
    7    HD3  PRO  29           HD3      PRO  29 119.178   5.659   4.773

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  30           H        SER  30 116.951   8.009   2.753
    2    HA   SER  30           HA       SER  30 116.164  10.500   1.646
    3    HB2  SER  30           HB2      SER  30 114.669   7.908   1.262
    4    HB3  SER  30           HB3      SER  30 114.885   9.234   0.117
    5    HG   SER  30           HG       SER  30 116.272   7.157   0.072

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  31           H        GLY  31 115.135   8.731   4.331
    2    HA2  GLY  31           HA2      GLY  31 112.856  10.534   4.735
    3    HA3  GLY  31           HA3      GLY  31 113.637   9.553   5.967

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU  32           H        LEU  32 113.304   7.704   3.234
    2    HA   LEU  32           HA       LEU  32 110.558   6.948   3.562
    3    HB2  LEU  32           HB2      LEU  32 111.715   6.816   1.370
    4    HB3  LEU  32           HB3      LEU  32 112.788   5.602   2.011
    5    HG   LEU  32           HG       LEU  32 110.789   4.842   0.554
    6   HD11  LEU  32          HD11      LEU  32 112.220   3.362   1.972
    7   HD12  LEU  32          HD12      LEU  32 110.990   3.480   3.214
    8   HD13  LEU  32          HD13      LEU  32 110.595   2.773   1.664
    9   HD21  LEU  32          HD21      LEU  32 109.165   6.248   1.799
   10   HD22  LEU  32          HD22      LEU  32 108.660   4.585   1.609
   11   HD23  LEU  32          HD23      LEU  32 109.274   5.141   3.150

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLN  33           H        GLN  33 109.762   5.315   4.794
    2    HA   GLN  33           HA       GLN  33 111.690   3.592   6.247
    3    HB2  GLN  33           HB2      GLN  33 109.082   4.763   7.220
    4    HB3  GLN  33           HB3      GLN  33 110.072   3.632   8.102
    5    HG2  GLN  33           HG2      GLN  33 111.005   5.510   8.989
    6    HG3  GLN  33           HG3      GLN  33 111.895   5.531   7.502
    7   HE21  GLN  33          HE21      GLN  33 111.551   7.917   8.794
    8   HE22  GLN  33          HE22      GLN  33 110.486   8.870   7.888

  No H/Q in entry =           8
  In of MODEL   13
    1    H    TYR  34           H        TYR  34 111.281   1.445   6.290
    2    HA   TYR  34           HA       TYR  34 108.658   0.500   5.352
    3    HB2  TYR  34           HB2      TYR  34 109.696  -1.239   4.001
    4    HB3  TYR  34           HB3      TYR  34 110.170   0.354   3.425
    5    HD1  TYR  34           HD1      TYR  34 111.225  -2.514   5.485
    6    HD2  TYR  34           HD2      TYR  34 112.473   1.043   3.452
    7    HE1  TYR  34           HE1      TYR  34 113.599  -3.146   5.852
    8    HE2  TYR  34           HE2      TYR  34 114.846   0.414   3.815
    9    HH   TYR  34           HH       TYR  34 115.736  -2.707   5.188

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS  35           H        LYS  35 107.877  -1.270   6.204
    2    HA   LYS  35           HA       LYS  35 109.465  -2.589   8.288
    3    HB2  LYS  35           HB2      LYS  35 107.864  -1.062   9.292
    4    HB3  LYS  35           HB3      LYS  35 106.540  -1.821   8.428
    5    HG2  LYS  35           HG2      LYS  35 108.259  -3.638   9.982
    6    HG3  LYS  35           HG3      LYS  35 107.368  -2.495  10.962
    7    HD2  LYS  35           HD2      LYS  35 105.285  -3.224   9.801
    8    HD3  LYS  35           HD3      LYS  35 106.233  -4.452   8.960
    9    HE2  LYS  35           HE2      LYS  35 105.184  -5.404  10.972
   10    HE3  LYS  35           HE3      LYS  35 106.935  -5.384  11.120
   11    HZ1  LYS  35           HZ1      LYS  35 105.946  -2.944  12.055
   12    HZ2  LYS  35           HZ2      LYS  35 105.051  -4.183  12.798
   13    HZ3  LYS  35           HZ3      LYS  35 106.740  -4.163  12.932

  No H/Q in entry =          13
  In of MODEL   13
    1    H    VAL  36           H        VAL  36 109.504  -4.676   8.209
    2    HA   VAL  36           HA       VAL  36 108.071  -5.974   6.031
    3    HB   VAL  36           HB       VAL  36 110.376  -6.485   6.128

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ILE  37           H        ILE  37 106.066  -6.469   6.410
    2    HA   ILE  37           HA       ILE  37 105.045  -7.274   8.960
    3    HB   ILE  37           HB       ILE  37 103.764  -7.879   6.293
    4   HD11  ILE  37          HD11      ILE  37 104.130  -5.364   8.897
    5   HD12  ILE  37          HD12      ILE  37 104.040  -3.954   7.879
    6   HD13  ILE  37          HD13      ILE  37 102.572  -4.792   8.372

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ASN  38           H        ASN  38 106.028  -8.875   6.016
    2    HA   ASN  38           HA       ASN  38 106.363 -11.411   7.458
    3    HB2  ASN  38           HB2      ASN  38 104.880 -11.069   4.861
    4    HB3  ASN  38           HB3      ASN  38 105.314 -12.603   5.563
    5   HD21  ASN  38          HD21      ASN  38 103.273  -9.721   6.107
    6   HD22  ASN  38          HD22      ASN  38 102.233 -10.477   7.211

  No H/Q in entry =           6
  In of MODEL   13
    1    H    SER  39           H        SER  39 108.332 -12.231   7.002
    2    HA   SER  39           HA       SER  39 109.923 -11.038   4.870
    3    HB2  SER  39           HB2      SER  39 111.774 -12.103   5.854
    4    HB3  SER  39           HB3      SER  39 110.788 -11.559   7.207
    5    HG   SER  39           HG       SER  39 111.164 -13.640   7.681

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  40           H        GLY  40 110.307 -11.946   2.952
    2    HA2  GLY  40           HA2      GLY  40 109.259 -13.472   1.315
    3    HA3  GLY  40           HA3      GLY  40 109.529 -14.755   2.487

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASN  41           H        ASN  41 111.718 -12.108   1.766
    2    HA   ASN  41           HA       ASN  41 113.861 -12.043   0.958
    3    HB2  ASN  41           HB2      ASN  41 113.934 -14.942   1.772
    4    HB3  ASN  41           HB3      ASN  41 115.306 -13.852   1.588
    5   HD21  ASN  41          HD21      ASN  41 112.938 -11.907   2.809
    6   HD22  ASN  41          HD22      ASN  41 113.239 -12.089   4.473

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  42           H        GLY  42 111.709 -12.723  -0.894
    2    HA2  GLY  42           HA2      GLY  42 111.337 -13.849  -2.915
    3    HA3  GLY  42           HA3      GLY  42 112.898 -14.635  -2.752

  No H/Q in entry =           3
  In of MODEL   13
    1    H    VAL  43           H        VAL  43 111.996 -13.568  -5.070
    2    HA   VAL  43           HA       VAL  43 114.120 -11.834  -5.827
    3    HB   VAL  43           HB       VAL  43 113.116 -11.896  -8.043

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  44           H        LYS  44 113.299  -9.938  -7.368
    2    HA   LYS  44           HA       LYS  44 111.095  -8.398  -6.723
    3    HB2  LYS  44           HB2      LYS  44 111.846  -6.713  -5.204
    4    HB3  LYS  44           HB3      LYS  44 112.127  -8.249  -4.439
    5    HG2  LYS  44           HG2      LYS  44 114.385  -7.059  -6.016
    6    HG3  LYS  44           HG3      LYS  44 113.984  -6.324  -4.482
    7    HD2  LYS  44           HD2      LYS  44 114.239  -9.311  -4.531
    8    HD3  LYS  44           HD3      LYS  44 115.723  -8.374  -4.644
    9    HE2  LYS  44           HE2      LYS  44 115.403  -7.426  -2.511
   10    HE3  LYS  44           HE3      LYS  44 113.677  -7.780  -2.504
   11    HZ1  LYS  44           HZ1      LYS  44 115.560 -10.006  -2.727
   12    HZ2  LYS  44           HZ2      LYS  44 115.377  -9.261  -1.210
   13    HZ3  LYS  44           HZ3      LYS  44 114.036  -9.943  -1.995

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  45           HA       PRO  45 112.809  -6.294 -10.174
    2    HB2  PRO  45           HB2      PRO  45 111.078  -4.195 -10.348
    3    HB3  PRO  45           HB3      PRO  45 110.621  -5.868 -10.667
    4    HG2  PRO  45           HG2      PRO  45 109.947  -4.129  -8.391
    5    HG3  PRO  45           HG3      PRO  45 109.169  -5.600  -8.971
    6    HD2  PRO  45           HD2      PRO  45 110.992  -5.338  -6.756
    7    HD3  PRO  45           HD3      PRO  45 110.108  -6.782  -7.319

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  46           H        GLY  46 113.823  -4.552 -11.131
    2    HA2  GLY  46           HA2      GLY  46 115.564  -2.976 -11.065
    3    HA3  GLY  46           HA3      GLY  46 115.278  -2.758  -9.344

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  47           H        LYS  47 115.579  -0.528 -10.395
    2    HA   LYS  47           HA       LYS  47 113.258   0.931 -10.080
    3    HB2  LYS  47           HB2      LYS  47 114.491   2.826 -10.665
    4    HB3  LYS  47           HB3      LYS  47 115.679   1.724  -9.999
    5    HG2  LYS  47           HG2      LYS  47 115.151   2.105 -12.976
    6    HG3  LYS  47           HG3      LYS  47 116.464   2.858 -12.093
    7    HD2  LYS  47           HD2      LYS  47 116.063  -0.129 -12.418
    8    HD3  LYS  47           HD3      LYS  47 117.218   0.851 -13.300
    9    HE2  LYS  47           HE2      LYS  47 117.246   0.046 -10.415
   10    HE3  LYS  47           HE3      LYS  47 118.550  -0.010 -11.594
   11    HZ1  LYS  47           HZ1      LYS  47 118.405   2.497 -11.593
   12    HZ2  LYS  47           HZ2      LYS  47 117.449   2.358 -10.197
   13    HZ3  LYS  47           HZ3      LYS  47 119.047   1.778 -10.193

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  48           H        SER  48 114.461  -0.680 -12.873
    2    HA   SER  48           HA       SER  48 112.429   0.690 -14.577
    3    HB2  SER  48           HB2      SER  48 115.089  -0.550 -15.076
    4    HB3  SER  48           HB3      SER  48 113.928  -0.498 -16.405
    5    HG   SER  48           HG       SER  48 115.285   1.380 -16.258

  No H/Q in entry =           5
  In of MODEL   13
    1    H    ASP  49           H        ASP  49 112.851  -2.132 -12.888
    2    HA   ASP  49           HA       ASP  49 111.633  -3.973 -14.804
    3    HB2  ASP  49           HB2      ASP  49 112.339  -4.095 -11.929
    4    HB3  ASP  49           HB3      ASP  49 111.584  -5.431 -12.753

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR  50           H        THR  50 109.597  -5.144 -14.043
    2    HA   THR  50           HA       THR  50 107.697  -3.192 -12.897
    3    HB   THR  50           HB       THR  50 106.953  -5.441 -14.738
    4    HG1  THR  50           HG1      THR  50 107.678  -4.273 -16.277
    5   HG21  THR  50          HG21      THR  50 105.533  -2.985 -13.709
    6   HG22  THR  50          HG22      THR  50 104.959  -3.962 -15.064
    7   HG23  THR  50          HG23      THR  50 105.100  -4.693 -13.466

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  51           H        VAL  51 106.107  -3.896 -11.488
    2    HA   VAL  51           HA       VAL  51 106.720  -6.476 -10.161
    3    HB   VAL  51           HB       VAL  51 107.614  -4.356  -9.068

  No H/Q in entry =           3
  In of MODEL   13
    1    H    THR  52           H        THR  52 104.990  -7.284  -8.747
    2    HA   THR  52           HA       THR  52 102.283  -6.321  -9.542
    3    HB   THR  52           HB       THR  52 103.237  -9.183  -9.349
    4    HG1  THR  52           HG1      THR  52 102.201  -8.884 -11.610
    5   HG21  THR  52          HG21      THR  52 100.517  -7.949  -9.608
    6   HG22  THR  52          HG22      THR  52 100.857  -9.557 -10.243
    7   HG23  THR  52          HG23      THR  52 101.059  -9.245  -8.531

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  53           H        VAL  53 101.231  -5.668  -7.716
    2    HA   VAL  53           HA       VAL  53 101.663  -7.177  -5.197
    3    HB   VAL  53           HB       VAL  53 102.233  -5.147  -4.015

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLU  54           H        GLU  54 100.236  -6.499  -3.410
    2    HA   GLU  54           HA       GLU  54  97.719  -5.137  -4.301
    3    HB2  GLU  54           HB2      GLU  54  97.617  -7.009  -1.931
    4    HB3  GLU  54           HB3      GLU  54  96.344  -6.475  -3.009
    5    HG2  GLU  54           HG2      GLU  54  96.682  -8.124  -4.513
    6    HG3  GLU  54           HG3      GLU  54  98.409  -8.149  -4.309

  No H/Q in entry =           6
  In of MODEL   13
    1    H    TYR  55           H        TYR  55  96.930  -3.507  -2.721
    2    HA   TYR  55           HA       TYR  55  98.460  -3.215  -0.267
    3    HB2  TYR  55           HB2      TYR  55  99.317  -0.968  -1.018
    4    HB3  TYR  55           HB3      TYR  55  99.988  -2.340  -1.911
    5    HD1  TYR  55           HD1      TYR  55  97.577   0.469  -2.074
    6    HD2  TYR  55           HD2      TYR  55  99.292  -2.846  -4.182
    7    HE1  TYR  55           HE1      TYR  55  96.516   1.271  -4.161
    8    HE2  TYR  55           HE2      TYR  55  98.252  -2.039  -6.277
    9    HH   TYR  55           HH       TYR  55  95.833   0.362  -6.340

  No H/Q in entry =           9
  In of MODEL   13
    1    H    THR  56           H        THR  56  97.940  -1.298   0.990
    2    HA   THR  56           HA       THR  56  95.413   0.002   0.316
    3    HB   THR  56           HB       THR  56  96.042  -1.345   2.873
    4    HG1  THR  56           HG1      THR  56  93.847  -1.013   1.158
    5   HG21  THR  56          HG21      THR  56  94.231   1.070   2.604
    6   HG22  THR  56          HG22      THR  56  94.322   0.028   4.020
    7   HG23  THR  56          HG23      THR  56  95.708   1.007   3.558

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  57           H        GLY  57  95.462   2.178   0.369
    2    HA2  GLY  57           HA2      GLY  57  97.085   4.022   0.122
    3    HA3  GLY  57           HA3      GLY  57  97.915   3.401   1.540

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ARG  58           H        ARG  58  97.691   4.938   3.108
    2    HA   ARG  58           HA       ARG  58  95.148   6.327   3.308
    3    HB2  ARG  58           HB2      ARG  58  94.575   5.630   5.440
    4    HB3  ARG  58           HB3      ARG  58  95.134   4.149   4.677
    5    HG2  ARG  58           HG2      ARG  58  97.277   4.269   5.779
    6    HG3  ARG  58           HG3      ARG  58  96.947   5.876   6.409
    7    HD2  ARG  58           HD2      ARG  58  96.489   4.535   8.244
    8    HD3  ARG  58           HD3      ARG  58  94.897   4.763   7.542
    9    HE   ARG  58           HE       ARG  58  96.149   2.434   6.466
   10   HH11  ARG  58          HH11      ARG  58  94.510   3.736   9.214
   11   HH12  ARG  58          HH12      ARG  58  93.952   2.201   9.792
   12   HH21  ARG  58          HH21      ARG  58  95.434   0.411   7.211
   13   HH22  ARG  58          HH22      ARG  58  94.477   0.310   8.651

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  59           H        LEU  59  95.127   7.945   5.015
    2    HA   LEU  59           HA       LEU  59  97.526   9.561   4.902
    3    HB2  LEU  59           HB2      LEU  59  94.698   9.897   5.612
    4    HB3  LEU  59           HB3      LEU  59  95.766  10.887   6.578
    5    HG   LEU  59           HG       LEU  59  96.790  11.615   4.300
    6   HD11  LEU  59          HD11      LEU  59  94.118  10.519   3.420
    7   HD12  LEU  59          HD12      LEU  59  95.134  11.556   2.462
    8   HD13  LEU  59          HD13      LEU  59  95.672   9.945   2.899
    9   HD21  LEU  59          HD21      LEU  59  95.247  12.966   5.857
   10   HD22  LEU  59          HD22      LEU  59  95.310  13.449   4.173
   11   HD23  LEU  59          HD23      LEU  59  93.949  12.529   4.758

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE  60           H        ILE  60  98.308  10.611   6.857
    2    HA   ILE  60           HA       ILE  60  99.216   8.782   8.799
    3    HB   ILE  60           HB       ILE  60 100.210  10.629   9.873
    4   HD11  ILE  60          HD11      ILE  60  98.873  12.913   7.277
    5   HD12  ILE  60          HD12      ILE  60  97.423  12.029   7.751
    6   HD13  ILE  60          HD13      ILE  60  97.672  13.660   8.333

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ASP  61           H        ASP  61  96.454  10.728   8.522
    2    HA   ASP  61           HA       ASP  61  95.666  10.505  11.323
    3    HB2  ASP  61           HB2      ASP  61  95.485  12.605   9.838
    4    HB3  ASP  61           HB3      ASP  61  94.074  11.817   9.131

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLY  62           H        GLY  62  95.475   8.443   8.836
    2    HA2  GLY  62           HA2      GLY  62  93.092   7.157   9.948
    3    HA3  GLY  62           HA3      GLY  62  94.269   6.432   8.884

  No H/Q in entry =           3
  In of MODEL   13
    1    H    THR  63           H        THR  63  93.412   9.408   7.565
    2    HA   THR  63           HA       THR  63  90.903   8.674   6.379
    3    HB   THR  63           HB       THR  63  92.810  10.682   5.213
    4    HG1  THR  63           HG1      THR  63  92.128  12.126   6.684
    5   HG21  THR  63          HG21      THR  63  90.650   9.924   4.075
    6   HG22  THR  63          HG22      THR  63  89.826  10.765   5.375
    7   HG23  THR  63          HG23      THR  63  90.882  11.661   4.290

  No H/Q in entry =           7
  In of MODEL   13
    1    H    VAL  64           H        VAL  64  90.855   6.846   5.203
    2    HA   VAL  64           HA       VAL  64  93.024   6.074   3.488
    3    HB   VAL  64           HB       VAL  64  90.242   4.953   3.712

  No H/Q in entry =           3
  In of MODEL   13
    1    H    PHE  65           H        PHE  65  93.413   6.584   1.492
    2    HA   PHE  65           HA       PHE  65  91.226   7.913  -0.011
    3    HB2  PHE  65           HB2      PHE  65  92.817   9.294  -1.118
    4    HB3  PHE  65           HB3      PHE  65  93.021   9.446   0.619
    5    HD1  PHE  65           HD1      PHE  65  94.765   7.833   1.691
    6    HD2  PHE  65           HD2      PHE  65  94.752   8.998  -2.430
    7    HE1  PHE  65           HE1      PHE  65  97.191   7.328   1.547
    8    HE2  PHE  65           HE2      PHE  65  97.185   8.501  -2.580
    9    HZ   PHE  65           HZ       PHE  65  98.394   7.669  -0.585

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP  66           H        ASP  66  93.188   5.211   0.127
    2    HA   ASP  66           HA       ASP  66  92.098   4.255  -2.336
    3    HB2  ASP  66           HB2      ASP  66  94.097   5.664  -3.056
    4    HB3  ASP  66           HB3      ASP  66  95.103   4.415  -2.339

  No H/Q in entry =           4
  In of MODEL   13
    1    H    SER  67           H        SER  67  92.441   2.035  -2.716
    2    HA   SER  67           HA       SER  67  94.047   0.512  -0.928
    3    HB2  SER  67           HB2      SER  67  92.315  -0.704   0.215
    4    HB3  SER  67           HB3      SER  67  92.078   1.021   0.491
    5    HG   SER  67           HG       SER  67  90.186   0.751  -0.364

  No H/Q in entry =           5
  In of MODEL   13
    1    H    THR  68           H        THR  68  94.060  -1.765  -1.329
    2    HA   THR  68           HA       THR  68  92.747  -2.719  -3.761
    3    HB   THR  68           HB       THR  68  95.754  -2.536  -3.503
    4    HG1  THR  68           HG1      THR  68  94.857  -0.633  -4.253
    5   HG21  THR  68          HG21      THR  68  93.973  -3.975  -5.461
    6   HG22  THR  68          HG22      THR  68  95.635  -3.541  -5.845
    7   HG23  THR  68          HG23      THR  68  95.301  -4.628  -4.509

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  69           H        GLU  69  95.069  -3.283  -1.163
    2    HA   GLU  69           HA       GLU  69  95.138  -6.088  -1.312
    3    HB2  GLU  69           HB2      GLU  69  95.917  -6.012   1.015
    4    HB3  GLU  69           HB3      GLU  69  96.780  -4.926  -0.063
    5    HG2  GLU  69           HG2      GLU  69  96.422  -3.578   1.782
    6    HG3  GLU  69           HG3      GLU  69  95.122  -3.153   0.690

  No H/Q in entry =           6
  In of MODEL   13
    1    H    LYS  70           H        LYS  70  92.810  -3.875  -0.055
    2    HA   LYS  70           HA       LYS  70  91.367  -5.516   1.663
    3    HB2  LYS  70           HB2      LYS  70  90.339  -3.446  -0.277
    4    HB3  LYS  70           HB3      LYS  70  89.422  -4.099   1.085
    5    HG2  LYS  70           HG2      LYS  70  92.106  -2.766   1.393
    6    HG3  LYS  70           HG3      LYS  70  90.601  -1.858   1.447
    7    HD2  LYS  70           HD2      LYS  70  90.449  -4.190   3.224
    8    HD3  LYS  70           HD3      LYS  70  91.850  -3.207   3.624
    9    HE2  LYS  70           HE2      LYS  70  88.949  -2.384   3.555
   10    HE3  LYS  70           HE3      LYS  70  90.046  -2.366   4.933
   11    HZ1  LYS  70           HZ1      LYS  70  91.381  -0.776   3.347
   12    HZ2  LYS  70           HZ2      LYS  70  89.835  -0.500   2.693
   13    HZ3  LYS  70           HZ3      LYS  70  90.127  -0.192   4.335

  No H/Q in entry =          13
  In of MODEL   13
    1    H    THR  71           H        THR  71  91.390  -5.123  -1.782
    2    HA   THR  71           HA       THR  71  89.349  -7.080  -2.314
    3    HB   THR  71           HB       THR  71  91.198  -6.398  -4.526
    4    HG1  THR  71           HG1      THR  71  89.845  -4.185  -4.135
    5   HG21  THR  71          HG21      THR  71  88.768  -7.295  -4.596
    6   HG22  THR  71          HG22      THR  71  88.291  -5.633  -4.248
    7   HG23  THR  71          HG23      THR  71  89.204  -6.001  -5.710

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  72           H        GLY  72  92.855  -6.919  -2.161
    2    HA2  GLY  72           HA2      GLY  72  93.052  -9.783  -1.932
    3    HA3  GLY  72           HA3      GLY  72  94.376  -8.631  -1.793

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS  73           H        LYS  73  93.272  -7.443  -4.417
    2    HA   LYS  73           HA       LYS  73  94.266  -9.509  -6.268
    3    HB2  LYS  73           HB2      LYS  73  92.380  -7.202  -6.556
    4    HB3  LYS  73           HB3      LYS  73  93.246  -7.754  -7.986
    5    HG2  LYS  73           HG2      LYS  73  91.289  -8.997  -8.086
    6    HG3  LYS  73           HG3      LYS  73  92.390 -10.125  -7.306
    7    HD2  LYS  73           HD2      LYS  73  91.500  -9.312  -5.078
    8    HD3  LYS  73           HD3      LYS  73  90.318  -8.363  -5.966
    9    HE2  LYS  73           HE2      LYS  73  89.618 -10.714  -5.113
   10    HE3  LYS  73           HE3      LYS  73  89.191 -10.260  -6.762
   11    HZ1  LYS  73           HZ1      LYS  73  91.681 -11.724  -6.111
   12    HZ2  LYS  73           HZ2      LYS  73  90.223 -12.521  -6.450
   13    HZ3  LYS  73           HZ3      LYS  73  90.939 -11.530  -7.628

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  74           HA       PRO  74  97.964  -7.053  -6.324
    2    HB2  PRO  74           HB2      PRO  74  98.717  -8.825  -8.580
    3    HB3  PRO  74           HB3      PRO  74  99.607  -8.436  -7.101
    4    HG2  PRO  74           HG2      PRO  74  98.442 -10.793  -7.379
    5    HG3  PRO  74           HG3      PRO  74  98.395  -9.935  -5.836
    6    HD2  PRO  74           HD2      PRO  74  96.275 -10.142  -7.929
    7    HD3  PRO  74           HD3      PRO  74  96.175 -10.315  -6.168

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  75           H        ALA  75  98.867  -5.474  -7.562
    2    HA   ALA  75           HA       ALA  75  97.591  -4.847 -10.167
    3    HB1  ALA  75           HB1      ALA  75  97.081  -3.356  -8.031
    4    HB2  ALA  75           HB2      ALA  75  97.330  -2.617  -9.607
    5    HB3  ALA  75           HB3      ALA  75  98.644  -2.649  -8.431

  No H/Q in entry =           5
  In of MODEL   13
    1    H    THR  76           H        THR  76  99.032  -3.867 -11.727
    2    HA   THR  76           HA       THR  76 101.864  -4.431 -11.128
    3    HB   THR  76           HB       THR  76 101.212  -5.738 -12.953
    4    HG1  THR  76           HG1      THR  76 103.089  -4.269 -13.216
    5   HG21  THR  76          HG21      THR  76  99.695  -3.281 -13.817
    6   HG22  THR  76          HG22      THR  76 100.126  -4.527 -14.986
    7   HG23  THR  76          HG23      THR  76  99.111  -4.930 -13.604

  No H/Q in entry =           7
  In of MODEL   13
    1    H    PHE  77           H        PHE  77 103.316  -2.925 -10.994
    2    HA   PHE  77           HA       PHE  77 102.889  -0.342 -12.365
    3    HB2  PHE  77           HB2      PHE  77 104.155  -0.553  -9.627
    4    HB3  PHE  77           HB3      PHE  77 103.812   0.898 -10.539
    5    HD1  PHE  77           HD1      PHE  77 102.675  -1.257  -8.036
    6    HD2  PHE  77           HD2      PHE  77 101.282   1.302 -11.195
    7    HE1  PHE  77           HE1      PHE  77 100.440  -1.190  -6.975
    8    HE2  PHE  77           HE2      PHE  77  99.036   1.391 -10.121
    9    HZ   PHE  77           HZ       PHE  77  98.615   0.143  -8.012

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLN  78           H        GLN  78 104.763   0.622 -12.988
    2    HA   GLN  78           HA       GLN  78 107.105  -1.114 -13.105
    3    HB2  GLN  78           HB2      GLN  78 106.318   1.392 -14.551
    4    HB3  GLN  78           HB3      GLN  78 107.972   0.804 -14.585
    5    HG2  GLN  78           HG2      GLN  78 107.083  -1.395 -15.370
    6    HG3  GLN  78           HG3      GLN  78 105.509  -0.641 -15.530
    7   HE21  GLN  78          HE21      GLN  78 107.768   1.694 -16.134
    8   HE22  GLN  78          HE22      GLN  78 107.862   1.590 -17.824

  No H/Q in entry =           8
  In of MODEL   13
    1    H    VAL  79           H        VAL  79 108.696  -0.848 -11.677
    2    HA   VAL  79           HA       VAL  79 108.469   0.733  -9.469
    3    HB   VAL  79           HB       VAL  79 111.104  -0.026 -10.752

  No H/Q in entry =           3
  In of MODEL   13
    1    H    SER  80           H        SER  80 109.669   1.650 -12.669
    2    HA   SER  80           HA       SER  80 110.866   4.086 -11.781
    3    HB2  SER  80           HB2      SER  80 111.746   3.296 -13.799
    4    HB3  SER  80           HB3      SER  80 110.149   2.966 -14.460
    5    HG   SER  80           HG       SER  80 109.803   5.268 -14.404

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLN  81           H        GLN  81 107.692   3.100 -12.691
    2    HA   GLN  81           HA       GLN  81 106.768   5.881 -13.016
    3    HB2  GLN  81           HB2      GLN  81 105.295   3.280 -13.402
    4    HB3  GLN  81           HB3      GLN  81 104.737   4.877 -13.808
    5    HG2  GLN  81           HG2      GLN  81 107.059   3.451 -15.065
    6    HG3  GLN  81           HG3      GLN  81 105.477   3.846 -15.812
    7   HE21  GLN  81          HE21      GLN  81 108.631   4.849 -15.814
    8   HE22  GLN  81          HE22      GLN  81 108.407   6.494 -16.142

  No H/Q in entry =           8
  In of MODEL   13
    1    H    VAL  82           H        VAL  82 106.942   3.603 -10.434
    2    HA   VAL  82           HA       VAL  82 104.420   4.496  -9.240
    3    HB   VAL  82           HB       VAL  82 105.275   2.118  -9.181

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ILE  83           H        ILE  83 104.432   5.100  -6.810
    2    HA   ILE  83           HA       ILE  83 105.548   7.608  -6.647
    3    HB   ILE  83           HB       ILE  83 105.360   6.613  -3.934
    4   HD11  ILE  83          HD11      ILE  83 103.527   5.785  -2.745
    5   HD12  ILE  83          HD12      ILE  83 102.157   6.430  -3.648
    6   HD13  ILE  83          HD13      ILE  83 102.384   4.689  -3.513

  No H/Q in entry =           6
  In of MODEL   13
    1    HA   PRO  84           HA       PRO  84 109.935   7.222  -5.936
    2    HB2  PRO  84           HB2      PRO  84 109.531   9.016  -3.574
    3    HB3  PRO  84           HB3      PRO  84 110.703   9.155  -4.895
    4    HG2  PRO  84           HG2      PRO  84 108.563  10.702  -4.818
    5    HG3  PRO  84           HG3      PRO  84 109.141  10.036  -6.344
    6    HD2  PRO  84           HD2      PRO  84 106.790   9.225  -4.735
    7    HD3  PRO  84           HD3      PRO  84 106.992   9.203  -6.483

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  85           H        GLY  85 108.021   7.266  -2.932
    2    HA2  GLY  85           HA2      GLY  85 108.152   5.914  -1.063
    3    HA3  GLY  85           HA3      GLY  85 109.889   5.954  -1.299

  No H/Q in entry =           3
  In of MODEL   13
    1    H    TRP  86           H        TRP  86 107.255   4.743  -3.223
    2    HA   TRP  86           HA       TRP  86 107.576   1.964  -2.734
    3    HB2  TRP  86           HB2      TRP  86 106.246   3.679  -4.790
    4    HB3  TRP  86           HB3      TRP  86 106.402   1.962  -5.115
    5    HD1  TRP  86           HD1      TRP  86 105.053   4.125  -2.160
    6    HE1  TRP  86           HE1      TRP  86 102.927   2.972  -1.304
    7    HE3  TRP  86           HE3      TRP  86 105.050   0.093  -5.173
    8    HZ2  TRP  86           HZ2      TRP  86 101.444   0.610  -1.847
    9    HZ3  TRP  86           HZ3      TRP  86 103.287  -1.604  -4.979
   10    HH2  TRP  86           HH2      TRP  86 101.466  -1.353  -3.332

  No H/Q in entry =          10
  In of MODEL   13
    1    H    THR  87           H        THR  87 108.950   4.186  -5.128
    2    HA   THR  87           HA       THR  87 109.985   2.453  -6.969
    3    HB   THR  87           HB       THR  87 111.438   4.872  -5.901
    4    HG1  THR  87           HG1      THR  87 109.228   5.283  -6.361
    5   HG21  THR  87          HG21      THR  87 112.534   3.309  -7.615
    6   HG22  THR  87          HG22      THR  87 111.303   3.883  -8.725
    7   HG23  THR  87          HG23      THR  87 112.429   5.013  -8.028

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLU  88           H        GLU  88 111.670   3.643  -4.067
    2    HA   GLU  88           HA       GLU  88 113.880   1.882  -4.428
    3    HB2  GLU  88           HB2      GLU  88 113.860   4.120  -3.214
    4    HB3  GLU  88           HB3      GLU  88 113.144   3.253  -1.854
    5    HG2  GLU  88           HG2      GLU  88 115.509   3.238  -1.468
    6    HG3  GLU  88           HG3      GLU  88 115.096   1.619  -2.031

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ALA  89           H        ALA  89 111.048   1.814  -2.294
    2    HA   ALA  89           HA       ALA  89 111.763  -0.316  -0.660
    3    HB1  ALA  89           HB1      ALA  89 109.042   0.507  -1.661
    4    HB2  ALA  89           HB2      ALA  89 109.831   1.024  -0.172
    5    HB3  ALA  89           HB3      ALA  89 109.320  -0.650  -0.366

  No H/Q in entry =           5
  In of MODEL   13
    1    H    LEU  90           H        LEU  90 109.971  -0.524  -3.765
    2    HA   LEU  90           HA       LEU  90 109.464  -3.276  -3.691
    3    HB2  LEU  90           HB2      LEU  90 110.030  -1.518  -6.080
    4    HB3  LEU  90           HB3      LEU  90 109.350  -3.130  -6.161
    5    HG   LEU  90           HG       LEU  90 108.110  -0.879  -4.577
    6   HD11  LEU  90          HD11      LEU  90 107.772  -1.733  -7.427
    7   HD12  LEU  90          HD12      LEU  90 106.466  -0.943  -6.579
    8   HD13  LEU  90          HD13      LEU  90 108.013  -0.126  -6.784
    9   HD21  LEU  90          HD21      LEU  90 107.333  -3.681  -5.237
   10   HD22  LEU  90          HD22      LEU  90 107.167  -2.822  -3.735
   11   HD23  LEU  90          HD23      LEU  90 106.071  -2.487  -5.064

  No H/Q in entry =          11
  In of MODEL   13
    1    H    GLN  91           H        GLN  91 112.244  -1.472  -4.862
    2    HA   GLN  91           HA       GLN  91 113.669  -3.622  -5.955
    3    HB2  GLN  91           HB2      GLN  91 114.722  -1.061  -4.771
    4    HB3  GLN  91           HB3      GLN  91 115.581  -2.115  -5.886
    5    HG2  GLN  91           HG2      GLN  91 114.003  -1.675  -7.648
    6    HG3  GLN  91           HG3      GLN  91 112.925  -0.815  -6.550
    7   HE21  GLN  91          HE21      GLN  91 113.128   1.167  -7.843
    8   HE22  GLN  91          HE22      GLN  91 114.545   2.090  -7.816

  No H/Q in entry =           8
  In of MODEL   13
    1    H    LEU  92           H        LEU  92 113.203  -2.567  -2.687
    2    HA   LEU  92           HA       LEU  92 115.408  -4.303  -1.722
    3    HB2  LEU  92           HB2      LEU  92 113.769  -2.276  -0.187
    4    HB3  LEU  92           HB3      LEU  92 115.207  -3.120   0.384
    5    HG   LEU  92           HG       LEU  92 115.171  -1.238  -1.979
    6   HD11  LEU  92          HD11      LEU  92 116.037  -0.800   0.867
    7   HD12  LEU  92          HD12      LEU  92 116.314   0.320  -0.473
    8   HD13  LEU  92          HD13      LEU  92 114.673  -0.041   0.047
    9   HD21  LEU  92          HD21      LEU  92 117.323  -2.709  -0.507
   10   HD22  LEU  92          HD22      LEU  92 116.995  -2.720  -2.236
   11   HD23  LEU  92          HD23      LEU  92 117.666  -1.283  -1.478

  No H/Q in entry =          11
  In of MODEL   13
    1    H    MET  93           H        MET  93 112.076  -4.203  -2.122
    2    HA   MET  93           HA       MET  93 111.411  -5.850   0.162
    3    HB2  MET  93           HB2      MET  93 110.007  -4.046  -0.628
    4    HB3  MET  93           HB3      MET  93 109.764  -4.896  -2.150
    5    HG2  MET  93           HG2      MET  93 108.857  -6.827  -0.787
    6    HG3  MET  93           HG3      MET  93 108.856  -5.744   0.602
    7    HE1  MET  93           HE1      MET  93 107.923  -3.064  -0.021
    8    HE2  MET  93           HE2      MET  93 108.324  -3.114  -1.728
    9    HE3  MET  93           HE3      MET  93 106.682  -2.787  -1.226

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   PRO  94           HA       PRO  94 112.326  -9.509  -2.481
    2    HB2  PRO  94           HB2      PRO  94 111.734 -11.005  -0.012
    3    HB3  PRO  94           HB3      PRO  94 113.199 -11.024  -1.014
    4    HG2  PRO  94           HG2      PRO  94 113.169  -9.888   1.398
    5    HG3  PRO  94           HG3      PRO  94 114.091  -9.185   0.055
    6    HD2  PRO  94           HD2      PRO  94 111.415  -8.377   1.116
    7    HD3  PRO  94           HD3      PRO  94 112.794  -7.383   0.665

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  95           H        ALA  95 111.102 -11.080  -3.466
    2    HA   ALA  95           HA       ALA  95 108.317 -10.701  -3.486
    3    HB1  ALA  95           HB1      ALA  95 108.267 -12.767  -4.891
    4    HB2  ALA  95           HB2      ALA  95 110.020 -12.848  -4.678
    5    HB3  ALA  95           HB3      ALA  95 109.285 -11.459  -5.482

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  96           H        GLY  96 106.688 -11.564  -2.494
    2    HA2  GLY  96           HA2      GLY  96 107.026 -14.031  -0.953
    3    HA3  GLY  96           HA3      GLY  96 105.515 -13.216  -1.343

  No H/Q in entry =           3
  In of MODEL   13
    1    H    SER  97           H        SER  97 108.095 -11.192  -0.303
    2    HA   SER  97           HA       SER  97 107.367 -11.299   2.501
    3    HB2  SER  97           HB2      SER  97 109.715 -10.911   1.750
    4    HB3  SER  97           HB3      SER  97 109.215  -9.380   1.052
    5    HG   SER  97           HG       SER  97 110.061  -9.207   3.206

  No H/Q in entry =           5
  In of MODEL   13
    1    H    THR  98           H        THR  98 105.841 -10.117   3.426
    2    HA   THR  98           HA       THR  98 104.556  -7.998   1.848
    3    HB   THR  98           HB       THR  98 103.626  -9.229   4.441
    4    HG1  THR  98           HG1      THR  98 103.730 -10.305   2.064
    5   HG21  THR  98          HG21      THR  98 102.361  -7.406   2.380
    6   HG22  THR  98          HG22      THR  98 101.462  -8.242   3.647
    7   HG23  THR  98          HG23      THR  98 102.690  -7.051   4.072

  No H/Q in entry =           7
  In of MODEL   13
    1    H    TRP  99           H        TRP  99 105.364  -6.048   2.114
    2    HA   TRP  99           HA       TRP  99 106.298  -5.254   4.809
    3    HB2  TRP  99           HB2      TRP  99 107.103  -4.266   2.068
    4    HB3  TRP  99           HB3      TRP  99 107.591  -3.482   3.561
    5    HD1  TRP  99           HD1      TRP  99 107.625  -7.197   3.938
    6    HE1  TRP  99           HE1      TRP  99 110.000  -8.081   3.807
    7    HE3  TRP  99           HE3      TRP  99 109.951  -2.990   2.245
    8    HZ2  TRP  99           HZ2      TRP  99 112.605  -7.117   3.085
    9    HZ3  TRP  99           HZ3      TRP  99 112.409  -3.008   1.856
   10    HH2  TRP  99           HH2      TRP  99 113.735  -5.060   2.281

  No H/Q in entry =          10
  In of MODEL   13
    1    H    GLU 100           H        GLU 100 106.140  -3.008   5.279
    2    HA   GLU 100           HA       GLU 100 103.864  -1.587   4.064
    3    HB2  GLU 100           HB2      GLU 100 104.525  -1.893   7.000
    4    HB3  GLU 100           HB3      GLU 100 103.569  -0.542   6.399
    5    HG2  GLU 100           HG2      GLU 100 101.926  -2.044   5.483
    6    HG3  GLU 100           HG3      GLU 100 102.880  -3.441   5.923

  No H/Q in entry =           6
  In of MODEL   13
    1    H    ILE 101           H        ILE 101 104.540   0.390   3.319
    2    HA   ILE 101           HA       ILE 101 107.010   1.456   4.472
    3    HB   ILE 101           HB       ILE 101 107.907   2.021   2.440
    4   HD11  ILE 101          HD11      ILE 101 107.894   2.744   0.187
    5   HD12  ILE 101          HD12      ILE 101 107.191   1.208  -0.311
    6   HD13  ILE 101          HD13      ILE 101 106.430   2.715  -0.775

  No H/Q in entry =           6
  In of MODEL   13
    1    H    TYR 102           H        TYR 102 107.108   3.422   5.065
    2    HA   TYR 102           HA       TYR 102 104.635   5.033   4.947
    3    HB2  TYR 102           HB2      TYR 102 106.993   5.197   6.830
    4    HB3  TYR 102           HB3      TYR 102 105.501   6.073   6.991
    5    HD1  TYR 102           HD1      TYR 102 106.355   2.429   6.373
    6    HD2  TYR 102           HD2      TYR 102 104.223   5.254   8.780
    7    HE1  TYR 102           HE1      TYR 102 105.374   0.589   7.617
    8    HE2  TYR 102           HE2      TYR 102 103.236   3.393  10.068
    9    HH   TYR 102           HH       TYR 102 103.179   0.280   9.046

  No H/Q in entry =           9
  In of MODEL   13
    1    H    VAL 103           H        VAL 103 104.872   6.214   3.171
    2    HA   VAL 103           HA       VAL 103 107.417   7.167   2.325
    3    HB   VAL 103           HB       VAL 103 104.804   7.710   1.017

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO 104           HA       PRO 104 106.903  11.221   4.265
    2    HB2  PRO 104           HB2      PRO 104 109.140  11.773   2.348
    3    HB3  PRO 104           HB3      PRO 104 109.035  12.149   4.081
    4    HG2  PRO 104           HG2      PRO 104 110.549  10.134   3.142
    5    HG3  PRO 104           HG3      PRO 104 109.750  10.047   4.705
    6    HD2  PRO 104           HD2      PRO 104 109.097   8.638   2.197
    7    HD3  PRO 104           HD3      PRO 104 108.735   8.186   3.879

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER 105           H        SER 105 105.860  13.050   3.496
    2    HA   SER 105           HA       SER 105 104.309  12.902   1.258
    3    HB2  SER 105           HB2      SER 105 103.980  15.321   1.468
    4    HB3  SER 105           HB3      SER 105 103.963  14.544   3.046
    5    HG   SER 105           HG       SER 105 105.994  15.288   3.432

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY 106           H        GLY 106 107.587  14.158   1.515
    2    HA2  GLY 106           HA2      GLY 106 109.107  14.818  -0.082
    3    HA3  GLY 106           HA3      GLY 106 107.742  15.306  -1.074

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LEU 107           H        LEU 107 108.211  12.049   0.142
    2    HA   LEU 107           HA       LEU 107 109.146  11.127  -2.504
    3    HB2  LEU 107           HB2      LEU 107 108.933   9.632   0.121
    4    HB3  LEU 107           HB3      LEU 107 109.615   8.988  -1.348
    5    HG   LEU 107           HG       LEU 107 110.691  11.304   0.272
    6   HD11  LEU 107          HD11      LEU 107 111.817   8.584  -0.389
    7   HD12  LEU 107          HD12      LEU 107 112.650   9.831   0.529
    8   HD13  LEU 107          HD13      LEU 107 111.193   9.083   1.177
    9   HD21  LEU 107          HD21      LEU 107 111.345  10.335  -2.491
   10   HD22  LEU 107          HD22      LEU 107 111.220  11.988  -1.898
   11   HD23  LEU 107          HD23      LEU 107 112.628  11.011  -1.490

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ALA 108           H        ALA 108 106.250  11.682  -1.100
    2    HA   ALA 108           HA       ALA 108 104.971   9.271  -2.196
    3    HB1  ALA 108           HB1      ALA 108 103.761  11.317  -0.338
    4    HB2  ALA 108           HB2      ALA 108 103.105   9.756  -0.788
    5    HB3  ALA 108           HB3      ALA 108 104.532   9.858   0.207

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR 109           H        TYR 109 102.837  11.823  -1.631
    2    HA   TYR 109           HA       TYR 109 102.580  12.265  -4.506
    3    HB2  TYR 109           HB2      TYR 109 100.693  12.466  -2.172
    4    HB3  TYR 109           HB3      TYR 109 100.298  13.243  -3.704
    5    HD1  TYR 109           HD1      TYR 109 100.593  10.090  -1.954
    6    HD2  TYR 109           HD2      TYR 109 100.307  11.885  -5.825
    7    HE1  TYR 109           HE1      TYR 109 100.165   7.906  -2.924
    8    HE2  TYR 109           HE2      TYR 109  99.888   9.706  -6.811
    9    HH   TYR 109           HH       TYR 109 100.648   7.010  -5.601

  No H/Q in entry =           9
  In of MODEL   13
    1    H    GLY 110           H        GLY 110 104.222  13.742  -2.147
    2    HA2  GLY 110           HA2      GLY 110 103.833  16.411  -3.381
    3    HA3  GLY 110           HA3      GLY 110 105.341  15.802  -2.733

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO 111           HA       PRO 111 104.446  17.595   1.216
    2    HB2  PRO 111           HB2      PRO 111 105.625  20.006   1.008
    3    HB3  PRO 111           HB3      PRO 111 106.574  18.510   0.998
    4    HG2  PRO 111           HG2      PRO 111 105.694  20.180  -1.317
    5    HG3  PRO 111           HG3      PRO 111 107.291  19.477  -0.985
    6    HD2  PRO 111           HD2      PRO 111 105.512  18.308  -2.679
    7    HD3  PRO 111           HD3      PRO 111 106.657  17.365  -1.709

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ARG 112           H        ARG 112 103.222  18.816  -1.669
    2    HA   ARG 112           HA       ARG 112 101.453  20.802  -0.389
    3    HB2  ARG 112           HB2      ARG 112 102.804  21.315  -2.491
    4    HB3  ARG 112           HB3      ARG 112 101.773  20.164  -3.330
    5    HG2  ARG 112           HG2      ARG 112  99.788  21.472  -2.768
    6    HG3  ARG 112           HG3      ARG 112 100.763  22.595  -1.821
    7    HD2  ARG 112           HD2      ARG 112 102.068  23.090  -3.923
    8    HD3  ARG 112           HD3      ARG 112 100.905  22.111  -4.807
    9    HE   ARG 112           HE       ARG 112  99.424  23.981  -3.367
   10   HH11  ARG 112          HH11      ARG 112 101.862  23.933  -5.825
   11   HH12  ARG 112          HH12      ARG 112 101.306  25.380  -6.595
   12   HH21  ARG 112          HH21      ARG 112  98.688  25.871  -4.374
   13   HH22  ARG 112          HH22      ARG 112  99.507  26.478  -5.775

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER 113           H        SER 113  99.115  20.705  -1.135
    2    HA   SER 113           HA       SER 113  98.105  18.063  -0.769
    3    HB2  SER 113           HB2      SER 113  96.504  20.391  -1.806
    4    HB3  SER 113           HB3      SER 113  95.981  19.057  -0.785
    5    HG   SER 113           HG       SER 113  96.360  21.089   0.324

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL 114           H        VAL 114  98.734  16.706  -2.448
    2    HA   VAL 114           HA       VAL 114  97.943  17.543  -5.201
    3    HB   VAL 114           HB       VAL 114  99.885  15.338  -4.544

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLY 115           H        GLY 115  95.752  16.747  -4.058
    2    HA2  GLY 115           HA2      GLY 115  95.426  13.884  -4.015
    3    HA3  GLY 115           HA3      GLY 115  94.769  14.624  -5.469

  No H/Q in entry =           3
  In of MODEL   13
    1    H    GLY 116           H        GLY 116  92.814  13.588  -4.497
    2    HA2  GLY 116           HA2      GLY 116  90.786  13.686  -3.396
    3    HA3  GLY 116           HA3      GLY 116  90.946  15.414  -3.625

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO 117           HA       PRO 117  90.767  14.613   0.953
    2    HB2  PRO 117           HB2      PRO 117  91.585  12.229   1.991
    3    HB3  PRO 117           HB3      PRO 117  89.961  12.491   1.340
    4    HG2  PRO 117           HG2      PRO 117  92.353  11.375  -0.044
    5    HG3  PRO 117           HG3      PRO 117  90.718  10.704   0.040
    6    HD2  PRO 117           HD2      PRO 117  91.476  12.015  -2.112
    7    HD3  PRO 117           HD3      PRO 117  89.869  12.341  -1.420

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ILE 118           H        ILE 118  93.602  13.563  -0.724
    2    HA   ILE 118           HA       ILE 118  95.459  13.851   1.415
    3    HB   ILE 118           HB       ILE 118  96.000  14.177  -1.550
    4   HD11  ILE 118          HD11      ILE 118  94.371  12.677  -2.079
    5   HD12  ILE 118          HD12      ILE 118  95.422  11.386  -2.650
    6   HD13  ILE 118          HD13      ILE 118  94.264  11.077  -1.367

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY 119           H        GLY 119  95.881  15.660   2.404
    2    HA2  GLY 119           HA2      GLY 119  95.432  17.871   2.892
    3    HA3  GLY 119           HA3      GLY 119  95.203  18.241   1.202

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO 120           HA       PRO 120  99.180  20.155   1.375
    2    HB2  PRO 120           HB2      PRO 120  99.209  21.855   3.567
    3    HB3  PRO 120           HB3      PRO 120  98.446  22.231   2.018
    4    HG2  PRO 120           HG2      PRO 120  97.196  21.253   4.524
    5    HG3  PRO 120           HG3      PRO 120  96.585  22.403   3.352
    6    HD2  PRO 120           HD2      PRO 120  95.720  19.847   3.514
    7    HD3  PRO 120           HD3      PRO 120  95.762  20.730   1.984

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ASN 121           H        ASN 121 101.288  19.777   2.111
    2    HA   ASN 121           HA       ASN 121 102.901  18.515   3.198
    3    HB2  ASN 121           HB2      ASN 121 102.309  20.659   4.640
    4    HB3  ASN 121           HB3      ASN 121 101.707  19.465   5.787
    5   HD21  ASN 121          HD21      ASN 121 103.541  17.411   5.667
    6   HD22  ASN 121          HD22      ASN 121 105.097  17.974   6.048

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLU 122           H        GLU 122 100.995  16.806   2.492
    2    HA   GLU 122           HA       GLU 122 100.255  15.199   4.854
    3    HB2  GLU 122           HB2      GLU 122  98.699  16.103   2.967
    4    HB3  GLU 122           HB3      GLU 122  99.291  14.713   2.111
    5    HG2  GLU 122           HG2      GLU 122  97.260  14.087   3.123
    6    HG3  GLU 122           HG3      GLU 122  98.535  13.313   4.078

  No H/Q in entry =           6
  In of MODEL   13
    1    H    THR 123           H        THR 123 101.207  13.411   5.313
    2    HA   THR 123           HA       THR 123 103.073  12.157   3.410
    3    HB   THR 123           HB       THR 123 102.613  11.834   6.378
    4    HG1  THR 123           HG1      THR 123 103.772  13.649   5.878
    5   HG21  THR 123          HG21      THR 123 103.291   9.679   5.190
    6   HG22  THR 123          HG22      THR 123 104.755  10.505   4.720
    7   HG23  THR 123          HG23      THR 123 104.406  10.237   6.422

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LEU 124           H        LEU 124 102.646  10.199   2.503
    2    HA   LEU 124           HA       LEU 124 100.120   8.844   3.309
    3    HB2  LEU 124           HB2      LEU 124 101.486   8.866   0.609
    4    HB3  LEU 124           HB3      LEU 124 100.043   7.960   1.008
    5    HG   LEU 124           HG       LEU 124  99.190   9.856  -0.073
    6   HD11  LEU 124          HD11      LEU 124  98.200   9.538   2.223
    7   HD12  LEU 124          HD12      LEU 124  99.218  10.882   2.724
    8   HD13  LEU 124          HD13      LEU 124  97.999  11.135   1.500
    9   HD21  LEU 124          HD21      LEU 124 101.382  11.060  -0.120
   10   HD22  LEU 124          HD22      LEU 124  99.982  12.092   0.125
   11   HD23  LEU 124          HD23      LEU 124 101.002  11.663   1.479

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE 125           H        ILE 125 100.098   6.699   3.629
    2    HA   ILE 125           HA       ILE 125 102.652   5.210   3.499
    3    HB   ILE 125           HB       ILE 125 102.204   5.413   5.818
    4   HD11  ILE 125          HD11      ILE 125 102.152   3.811   7.452
    5   HD12  ILE 125          HD12      ILE 125 100.616   2.988   7.352
    6   HD13  ILE 125          HD13      ILE 125 102.112   2.105   7.078

  No H/Q in entry =           6
  In of MODEL   13
    1    H    PHE 126           H        PHE 126 102.498   3.053   2.843
    2    HA   PHE 126           HA       PHE 126  99.860   2.102   2.042
    3    HB2  PHE 126           HB2      PHE 126 102.128   1.691   0.131
    4    HB3  PHE 126           HB3      PHE 126 100.382   1.644  -0.164
    5    HD1  PHE 126           HD1      PHE 126  99.305   3.545  -1.054
    6    HD2  PHE 126           HD2      PHE 126 103.108   3.957   0.885
    7    HE1  PHE 126           HE1      PHE 126  99.398   5.944  -1.724
    8    HE2  PHE 126           HE2      PHE 126 103.181   6.333   0.220
    9    HZ   PHE 126           HZ       PHE 126 101.347   7.323  -1.075

  No H/Q in entry =           9
  In of MODEL   13
    1    H    LYS 127           H        LYS 127  99.640  -0.149   1.923
    2    HA   LYS 127           HA       LYS 127 101.756  -1.637   3.293
    3    HB2  LYS 127           HB2      LYS 127  99.255  -3.113   2.835
    4    HB3  LYS 127           HB3      LYS 127 100.094  -2.811   4.335
    5    HG2  LYS 127           HG2      LYS 127  98.292  -0.814   2.987
    6    HG3  LYS 127           HG3      LYS 127  97.793  -1.885   4.285
    7    HD2  LYS 127           HD2      LYS 127  99.469  -0.918   5.791
    8    HD3  LYS 127           HD3      LYS 127 100.032   0.152   4.520
    9    HE2  LYS 127           HE2      LYS 127  97.866   1.256   4.423
   10    HE3  LYS 127           HE3      LYS 127  97.205   0.127   5.606
   11    HZ1  LYS 127           HZ1      LYS 127  99.462   2.000   6.080
   12    HZ2  LYS 127           HZ2      LYS 127  97.869   2.223   6.624
   13    HZ3  LYS 127           HZ3      LYS 127  98.796   0.936   7.225

  No H/Q in entry =          13
  In of MODEL   13
    1    H    ILE 128           H        ILE 128 103.026  -2.861   2.032
    2    HA   ILE 128           HA       ILE 128 101.911  -3.515  -0.654
    3    HB   ILE 128           HB       ILE 128 104.837  -3.234  -0.089
    4   HD11  ILE 128          HD11      ILE 128 104.960  -0.739  -1.964
    5   HD12  ILE 128          HD12      ILE 128 104.694   0.523  -0.779
    6   HD13  ILE 128          HD13      ILE 128 105.840  -0.760  -0.436

  No H/Q in entry =           6
  In of MODEL   13
    1    H    HIS 129           H        HIS 129 101.541  -5.459  -1.055
    2    HA   HIS 129           HA       HIS 129 103.090  -7.639   0.186
    3    HB2  HIS 129           HB2      HIS 129 100.705  -7.774   0.674
    4    HB3  HIS 129           HB3      HIS 129 100.322  -7.584  -1.035
    5    HD2  HIS 129           HD2      HIS 129 103.139 -10.106   0.175
    6    HE1  HIS 129           HE1      HIS 129  99.977 -12.277  -1.598
    7    HE2  HIS 129           HE2      HIS 129 102.334 -12.442  -0.702

  No H/Q in entry =           7
  In of MODEL   13
    1    H    LEU 130           H        LEU 130 104.528  -8.618  -1.145
    2    HA   LEU 130           HA       LEU 130 104.285  -8.109  -4.017
    3    HB2  LEU 130           HB2      LEU 130 106.450  -8.071  -2.294
    4    HB3  LEU 130           HB3      LEU 130 106.627  -9.584  -3.128
    5    HG   LEU 130           HG       LEU 130 106.249  -6.933  -4.482
    6   HD11  LEU 130          HD11      LEU 130 108.450  -7.087  -3.412
    7   HD12  LEU 130          HD12      LEU 130 108.728  -8.622  -4.215
    8   HD13  LEU 130          HD13      LEU 130 108.621  -7.159  -5.170
    9   HD21  LEU 130          HD21      LEU 130 105.379  -8.845  -5.810
   10   HD22  LEU 130          HD22      LEU 130 106.791  -8.129  -6.538
   11   HD23  LEU 130          HD23      LEU 130 106.957  -9.629  -5.655

  No H/Q in entry =          11
  In of MODEL   13
    1    H    ILE 131           H        ILE 131 103.122  -9.473  -5.147
    2    HA   ILE 131           HA       ILE 131 103.004 -12.308  -4.405
    3    HB   ILE 131           HB       ILE 131 101.459 -10.629  -6.397
    4   HD11  ILE 131          HD11      ILE 131 100.353  -9.120  -5.012
    5   HD12  ILE 131          HD12      ILE 131  99.768  -9.559  -3.412
    6   HD13  ILE 131          HD13      ILE 131 101.490  -9.411  -3.693

  No H/Q in entry =           6
  In of MODEL   13
    1    H    SER 132           H        SER 132 103.835 -10.300  -7.259
    2    HA   SER 132           HA       SER 132 105.719 -12.377  -8.082
    3    HB2  SER 132           HB2      SER 132 104.748 -12.916 -10.129
    4    HB3  SER 132           HB3      SER 132 103.340 -12.801  -9.077
    5    HG   SER 132           HG       SER 132 104.322 -10.955 -10.972

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL 133           H        VAL 133 107.137 -11.709  -9.784
    2    HA   VAL 133           HA       VAL 133 107.360  -8.770 -10.123
    3    HB   VAL 133           HB       VAL 133 109.600 -10.741  -9.558

  No H/Q in entry =           3
  In of MODEL   13
    1    H    LYS 134           H        LYS 134 108.021  -8.098 -12.134
    2    HA   LYS 134           HA       LYS 134 107.808  -9.940 -14.303
    3    HB2  LYS 134           HB2      LYS 134 106.685  -7.836 -14.461
    4    HB3  LYS 134           HB3      LYS 134 108.175  -7.017 -14.042
    5    HG2  LYS 134           HG2      LYS 134 107.519  -6.939 -16.493
    6    HG3  LYS 134           HG3      LYS 134 109.161  -7.434 -16.156
    7    HD2  LYS 134           HD2      LYS 134 108.517  -9.793 -16.401
    8    HD3  LYS 134           HD3      LYS 134 106.849  -9.315 -16.715
    9    HE2  LYS 134           HE2      LYS 134 109.081  -8.164 -18.374
   10    HE3  LYS 134           HE3      LYS 134 108.471  -9.780 -18.734
   11    HZ1  LYS 134           HZ1      LYS 134 106.178  -8.579 -18.578
   12    HZ2  LYS 134           HZ2      LYS 134 107.096  -7.193 -18.920
   13    HZ3  LYS 134           HZ3      LYS 134 107.100  -8.500 -20.004

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LYS 135           H        LYS 135 109.929  -7.274 -14.227
    2    HA   LYS 135           HA       LYS 135 112.242  -7.049 -14.231
    3    HB2  LYS 135           HB2      LYS 135 112.204  -9.579 -13.437
    4    HB3  LYS 135           HB3      LYS 135 112.751  -9.858 -15.085
    5    HG2  LYS 135           HG2      LYS 135 114.002  -8.068 -12.998
    6    HG3  LYS 135           HG3      LYS 135 114.659  -9.567 -13.646
    7    HD2  LYS 135           HD2      LYS 135 114.434  -8.253 -15.942
    8    HD3  LYS 135           HD3      LYS 135 114.474  -6.855 -14.908
    9    HE2  LYS 135           HE2      LYS 135 116.575  -7.596 -13.963
   10    HE3  LYS 135           HE3      LYS 135 116.554  -9.040 -14.961
   11    HZ1  LYS 135           HZ1      LYS 135 116.377  -6.348 -16.157
   12    HZ2  LYS 135           HZ2      LYS 135 117.881  -7.032 -15.780
   13    HZ3  LYS 135           HZ3      LYS 135 116.852  -7.807 -16.887

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER 136           H        SER 136 113.121  -6.085 -15.761
    2    HA   SER 136           HA       SER 136 112.040  -6.122 -18.402
    3    HB2  SER 136           HB2      SER 136 112.829  -4.057 -17.445
    4    HB3  SER 136           HB3      SER 136 114.436  -4.736 -17.190
    5    HG   SER 136           HG       SER 136 114.247  -3.442 -19.112

  No H/Q in entry =           5
  In of MODEL   13
    1    H    SER 137           H        SER 137 113.195  -8.685 -17.675
    2    HA   SER 137           HA       SER 137 115.706  -8.909 -19.114
    3    HB2  SER 137           HB2      SER 137 115.104 -10.358 -17.135
    4    HB3  SER 137           HB3      SER 137 113.913 -11.151 -18.164
    5    HG   SER 137           HG       SER 137 116.350 -10.900 -19.352

  No H/Q in entry =           5
  In of MODEL   14
    1    H1   PHE   1           H1       PHE   1  96.092  29.137   4.077
    2    H2   PHE   1           H2       PHE   1  94.406  29.155   3.879
    3    H3   PHE   1           H3       PHE   1  95.077  28.740   5.380
    4    HA   PHE   1           HA       PHE   1  94.309  26.776   4.259
    5    HB2  PHE   1           HB2      PHE   1  96.073  27.861   2.060
    6    HB3  PHE   1           HB3      PHE   1  95.655  26.150   2.136
    7    HD1  PHE   1           HD1      PHE   1  93.135  25.569   2.381
    8    HD2  PHE   1           HD2      PHE   1  94.585  29.378   1.026
    9    HE1  PHE   1           HE1      PHE   1  90.941  26.027   1.324
   10    HE2  PHE   1           HE2      PHE   1  92.389  29.837  -0.031
   11    HZ   PHE   1           HZ       PHE   1  90.568  28.161   0.117

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ASN   2           H        ASN   2  97.444  28.223   4.773
    2    HA   ASN   2           HA       ASN   2  98.934  25.820   4.941
    3    HB2  ASN   2           HB2      ASN   2  99.455  28.388   6.435
    4    HB3  ASN   2           HB3      ASN   2 100.601  27.086   6.146
    5   HD21  ASN   2          HD21      ASN   2 101.912  28.834   5.036
    6   HD22  ASN   2          HD22      ASN   2 101.549  29.214   3.422

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS   3           H        LYS   3  96.827  27.476   7.204
    2    HA   LYS   3           HA       LYS   3  97.613  26.358   9.594
    3    HB2  LYS   3           HB2      LYS   3  95.875  28.017   9.473
    4    HB3  LYS   3           HB3      LYS   3  94.867  26.886   8.616
    5    HG2  LYS   3           HG2      LYS   3  95.476  25.447  10.917
    6    HG3  LYS   3           HG3      LYS   3  95.385  27.092  11.519
    7    HD2  LYS   3           HD2      LYS   3  93.192  26.277  11.721
    8    HD3  LYS   3           HD3      LYS   3  93.138  27.216  10.227
    9    HE2  LYS   3           HE2      LYS   3  93.562  25.091   8.967
   10    HE3  LYS   3           HE3      LYS   3  93.466  24.222  10.481
   11    HZ1  LYS   3           HZ1      LYS   3  91.221  25.422  10.721
   12    HZ2  LYS   3           HZ2      LYS   3  91.333  25.650   9.046
   13    HZ3  LYS   3           HZ3      LYS   3  91.319  24.078   9.687

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LYS   4           H        LYS   4  95.523  24.902   7.106
    2    HA   LYS   4           HA       LYS   4  95.105  22.526   8.600
    3    HB2  LYS   4           HB2      LYS   4  93.848  23.480   6.487
    4    HB3  LYS   4           HB3      LYS   4  95.013  22.497   5.600
    5    HG2  LYS   4           HG2      LYS   4  93.201  21.486   7.813
    6    HG3  LYS   4           HG3      LYS   4  92.885  21.300   6.095
    7    HD2  LYS   4           HD2      LYS   4  95.209  20.138   6.010
    8    HD3  LYS   4           HD3      LYS   4  95.042  20.030   7.759
    9    HE2  LYS   4           HE2      LYS   4  92.954  18.805   7.553
   10    HE3  LYS   4           HE3      LYS   4  92.972  18.995   5.801
   11    HZ1  LYS   4           HZ1      LYS   4  95.248  17.728   7.160
   12    HZ2  LYS   4           HZ2      LYS   4  93.845  16.824   6.856
   13    HZ3  LYS   4           HZ3      LYS   4  94.699  17.526   5.564

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ALA   5           H        ALA   5  97.349  23.512   6.086
    2    HA   ALA   5           HA       ALA   5  98.743  21.182   5.574
    3    HB1  ALA   5           HB1      ALA   5 100.425  22.587   4.688
    4    HB2  ALA   5           HB2      ALA   5 100.054  23.879   5.808
    5    HB3  ALA   5           HB3      ALA   5  98.941  23.516   4.500

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASP   6           H        ASP   6  98.967  23.394   8.237
    2    HA   ASP   6           HA       ASP   6 101.360  22.412   9.351
    3    HB2  ASP   6           HB2      ASP   6  99.020  23.833  10.543
    4    HB3  ASP   6           HB3      ASP   6 100.455  23.413  11.453

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLU   7           H        GLU   7  97.938  21.516   9.768
    2    HA   GLU   7           HA       GLU   7  98.263  19.721  11.906
    3    HB2  GLU   7           HB2      GLU   7  96.307  19.456   9.667
    4    HB3  GLU   7           HB3      GLU   7  96.120  18.865  11.314
    5    HG2  GLU   7           HG2      GLU   7  96.341  21.270  12.061
    6    HG3  GLU   7           HG3      GLU   7  96.190  21.712  10.368

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ASN   8           H        ASN   8  98.038  19.073   8.462
    2    HA   ASN   8           HA       ASN   8  98.611  16.308   8.612
    3    HB2  ASN   8           HB2      ASN   8  99.387  18.167   6.376
    4    HB3  ASN   8           HB3      ASN   8  99.008  16.454   6.272
    5   HD21  ASN   8          HD21      ASN   8  97.501  17.894   4.616
    6   HD22  ASN   8          HD22      ASN   8  95.939  18.152   5.216

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS   9           H        LYS   9 100.526  19.166   8.417
    2    HA   LYS   9           HA       LYS   9 103.069  17.962   8.059
    3    HB2  LYS   9           HB2      LYS   9 102.837  20.217   7.470
    4    HB3  LYS   9           HB3      LYS   9 102.085  20.605   8.986
    5    HG2  LYS   9           HG2      LYS   9 104.099  20.576  10.169
    6    HG3  LYS   9           HG3      LYS   9 104.885  19.634   8.921
    7    HD2  LYS   9           HD2      LYS   9 105.759  21.820   8.684
    8    HD3  LYS   9           HD3      LYS   9 104.620  21.648   7.368
    9    HE2  LYS   9           HE2      LYS   9 103.518  22.775   9.895
   10    HE3  LYS   9           HE3      LYS   9 104.684  23.787   9.055
   11    HZ1  LYS   9           HZ1      LYS   9 102.611  22.518   7.436
   12    HZ2  LYS   9           HZ2      LYS   9 102.149  23.812   8.434
   13    HZ3  LYS   9           HZ3      LYS   9 103.353  24.037   7.262

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  10           H        VAL  10 101.476  19.211  11.063
    2    HA   VAL  10           HA       VAL  10 103.647  18.424  12.728
    3    HB   VAL  10           HB       VAL  10 100.754  18.959  13.377

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  11           H        LYS  11 100.546  16.845  12.018
    2    HA   LYS  11           HA       LYS  11 101.068  14.558  13.591
    3    HB2  LYS  11           HB2      LYS  11  99.249  15.074  11.278
    4    HB3  LYS  11           HB3      LYS  11  99.357  13.500  12.028
    5    HG2  LYS  11           HG2      LYS  11  97.583  14.445  13.232
    6    HG3  LYS  11           HG3      LYS  11  98.942  14.837  14.277
    7    HD2  LYS  11           HD2      LYS  11  99.107  17.045  13.053
    8    HD3  LYS  11           HD3      LYS  11  97.576  16.652  12.276
    9    HE2  LYS  11           HE2      LYS  11  98.105  16.981  15.236
   10    HE3  LYS  11           HE3      LYS  11  97.157  18.049  14.208
   11    HZ1  LYS  11           HZ1      LYS  11  95.802  15.917  13.738
   12    HZ2  LYS  11           HZ2      LYS  11  96.494  15.355  15.186
   13    HZ3  LYS  11           HZ3      LYS  11  95.547  16.765  15.184

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLY  12           H        GLY  12 101.723  15.494  10.302
    2    HA2  GLY  12           HA2      GLY  12 102.972  14.499   8.626
    3    HA3  GLY  12           HA3      GLY  12 102.766  12.978   9.462

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  13           H        GLU  13 104.370  15.995  10.534
    2    HA   GLU  13           HA       GLU  13 107.014  15.093  10.184
    3    HB2  GLU  13           HB2      GLU  13 105.812  17.042  12.155
    4    HB3  GLU  13           HB3      GLU  13 107.537  16.697  12.125
    5    HG2  GLU  13           HG2      GLU  13 107.681  17.427   9.804
    6    HG3  GLU  13           HG3      GLU  13 105.951  17.722   9.767

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  14           H        ALA  14 104.653  14.605  12.688
    2    HA   ALA  14           HA       ALA  14 106.419  13.302  14.512
    3    HB1  ALA  14           HB1      ALA  14 103.415  13.554  14.420
    4    HB2  ALA  14           HB2      ALA  14 104.528  14.501  15.404
    5    HB3  ALA  14           HB3      ALA  14 104.304  12.786  15.732

  No H/Q in entry =           5
  In of MODEL   14
    1    H    PHE  15           H        PHE  15 104.221  12.441  11.983
    2    HA   PHE  15           HA       PHE  15 103.846   9.711  12.543
    3    HB2  PHE  15           HB2      PHE  15 102.581  11.121  10.910
    4    HB3  PHE  15           HB3      PHE  15 103.974  11.061   9.845
    5    HD1  PHE  15           HD1      PHE  15 104.335   9.223   8.446
    6    HD2  PHE  15           HD2      PHE  15 101.488   8.976  11.639
    7    HE1  PHE  15           HE1      PHE  15 103.461   7.092   7.514
    8    HE2  PHE  15           HE2      PHE  15 100.640   6.831  10.738
    9    HZ   PHE  15           HZ       PHE  15 101.626   5.896   8.669

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LEU  16           H        LEU  16 106.190  11.368  10.463
    2    HA   LEU  16           HA       LEU  16 107.567   8.952   9.820
    3    HB2  LEU  16           HB2      LEU  16 108.401  11.843   9.644
    4    HB3  LEU  16           HB3      LEU  16 109.456  10.521   9.182
    5    HG   LEU  16           HG       LEU  16 107.292   9.778   7.756
    6   HD11  LEU  16          HD11      LEU  16 106.924  12.734   8.225
    7   HD12  LEU  16          HD12      LEU  16 106.414  11.998   6.708
    8   HD13  LEU  16          HD13      LEU  16 105.723  11.448   8.235
    9   HD21  LEU  16          HD21      LEU  16 109.487  11.715   7.103
   10   HD22  LEU  16          HD22      LEU  16 109.310  10.023   6.681
   11   HD23  LEU  16          HD23      LEU  16 108.315  11.230   5.879

  No H/Q in entry =          11
  In of MODEL   14
    1    H    THR  17           H        THR  17 107.889  11.372  12.317
    2    HA   THR  17           HA       THR  17 110.315  10.470  13.437
    3    HB   THR  17           HB       THR  17 108.015  11.658  14.975
    4    HG1  THR  17           HG1      THR  17 108.689  13.613  14.302
    5   HG21  THR  17          HG21      THR  17 111.006  11.736  15.344
    6   HG22  THR  17          HG22      THR  17 109.819  12.560  16.358
    7   HG23  THR  17          HG23      THR  17 109.858  10.801  16.302

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  18           H        GLU  18 106.944   9.625  14.018
    2    HA   GLU  18           HA       GLU  18 107.514   7.770  16.066
    3    HB2  GLU  18           HB2      GLU  18 105.383   8.938  15.982
    4    HB3  GLU  18           HB3      GLU  18 105.027   8.182  14.436
    5    HG2  GLU  18           HG2      GLU  18 105.007   5.982  15.461
    6    HG3  GLU  18           HG3      GLU  18 105.501   6.660  17.008

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ASN  19           H        ASN  19 106.720   7.463  12.630
    2    HA   ASN  19           HA       ASN  19 106.525   4.684  12.451
    3    HB2  ASN  19           HB2      ASN  19 105.969   5.696  10.443
    4    HB3  ASN  19           HB3      ASN  19 107.199   6.914  10.646
    5   HD21  ASN  19          HD21      ASN  19 106.557   3.881   9.163
    6   HD22  ASN  19          HD22      ASN  19 108.066   3.695   8.436

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  20           H        LYS  20 109.361   6.710  11.955
    2    HA   LYS  20           HA       LYS  20 111.075   4.587  11.375
    3    HB2  LYS  20           HB2      LYS  20 112.923   6.108  11.873
    4    HB3  LYS  20           HB3      LYS  20 111.675   6.944  10.959
    5    HG2  LYS  20           HG2      LYS  20 110.751   7.762  13.142
    6    HG3  LYS  20           HG3      LYS  20 112.145   7.047  13.939
    7    HD2  LYS  20           HD2      LYS  20 112.370   9.087  11.708
    8    HD3  LYS  20           HD3      LYS  20 112.380   9.519  13.419
    9    HE2  LYS  20           HE2      LYS  20 114.311   7.553  13.373
   10    HE3  LYS  20           HE3      LYS  20 114.523   8.299  11.791
   11    HZ1  LYS  20           HZ1      LYS  20 114.150  10.119  14.016
   12    HZ2  LYS  20           HZ2      LYS  20 115.611   9.260  13.995
   13    HZ3  LYS  20           HZ3      LYS  20 115.185  10.237  12.673

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ASN  21           H        ASN  21 109.861   5.820  14.356
    2    HA   ASN  21           HA       ASN  21 111.725   4.365  16.036
    3    HB2  ASN  21           HB2      ASN  21 109.378   6.162  16.512
    4    HB3  ASN  21           HB3      ASN  21 109.980   5.156  17.824
    5   HD21  ASN  21          HD21      ASN  21 110.627   8.023  15.934
    6   HD22  ASN  21          HD22      ASN  21 112.079   8.433  16.709

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  22           H        LYS  22 108.533   3.858  14.715
    2    HA   LYS  22           HA       LYS  22 107.644   1.914  16.448
    3    HB2  LYS  22           HB2      LYS  22 107.117   2.582  13.616
    4    HB3  LYS  22           HB3      LYS  22 106.424   1.107  14.248
    5    HG2  LYS  22           HG2      LYS  22 105.715   2.914  16.217
    6    HG3  LYS  22           HG3      LYS  22 105.727   3.942  14.798
    7    HD2  LYS  22           HD2      LYS  22 104.235   1.313  14.908
    8    HD3  LYS  22           HD3      LYS  22 103.491   2.869  15.272
    9    HE2  LYS  22           HE2      LYS  22 103.905   3.688  13.064
   10    HE3  LYS  22           HE3      LYS  22 104.968   2.328  12.696
   11    HZ1  LYS  22           HZ1      LYS  22 102.502   1.301  13.512
   12    HZ2  LYS  22           HZ2      LYS  22 102.193   2.499  12.347
   13    HZ3  LYS  22           HZ3      LYS  22 103.224   1.203  11.977

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  23           HA       PRO  23 110.483  -1.515  15.797
    2    HB2  PRO  23           HB2      PRO  23 108.132  -3.296  16.246
    3    HB3  PRO  23           HB3      PRO  23 109.705  -3.278  17.063
    4    HG2  PRO  23           HG2      PRO  23 107.510  -2.336  18.248
    5    HG3  PRO  23           HG3      PRO  23 109.099  -1.584  18.485
    6    HD2  PRO  23           HD2      PRO  23 106.789  -0.618  16.839
    7    HD3  PRO  23           HD3      PRO  23 107.996   0.297  17.770

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  24           H        GLY  24 111.063  -2.993  14.246
    2    HA2  GLY  24           HA2      GLY  24 109.227  -3.984  12.251
    3    HA3  GLY  24           HA3      GLY  24 110.947  -4.331  12.346

  No H/Q in entry =           3
  In of MODEL   14
    1    H    VAL  25           H        VAL  25 110.027  -1.047  12.525
    2    HA   VAL  25           HA       VAL  25 110.150  -0.562   9.663
    3    HB   VAL  25           HB       VAL  25 110.117   1.409  11.959

  No H/Q in entry =           3
  In of MODEL   14
    1    H    VAL  26           H        VAL  26 111.840   0.214   8.558
    2    HA   VAL  26           HA       VAL  26 114.322   0.989  10.015
    3    HB   VAL  26           HB       VAL  26 114.083  -0.514   7.393

  No H/Q in entry =           3
  In of MODEL   14
    1    H    VAL  27           H        VAL  27 114.796   3.071   9.703
    2    HA   VAL  27           HA       VAL  27 113.445   4.494   7.553
    3    HB   VAL  27           HB       VAL  27 113.292   5.462   9.787

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  28           H        LEU  28 114.374   5.788   6.068
    2    HA   LEU  28           HA       LEU  28 117.243   5.232   5.559
    3    HB2  LEU  28           HB2      LEU  28 115.034   5.798   3.590
    4    HB3  LEU  28           HB3      LEU  28 116.695   5.485   3.161
    5    HG   LEU  28           HG       LEU  28 115.029   3.515   4.729
    6   HD11  LEU  28          HD11      LEU  28 114.108   4.016   2.451
    7   HD12  LEU  28          HD12      LEU  28 115.646   3.524   1.766
    8   HD13  LEU  28          HD13      LEU  28 114.652   2.365   2.630
    9   HD21  LEU  28          HD21      LEU  28 117.710   3.425   3.328
   10   HD22  LEU  28          HD22      LEU  28 117.357   3.047   5.018
   11   HD23  LEU  28          HD23      LEU  28 116.812   1.965   3.739

  No H/Q in entry =          11
  In of MODEL   14
    1    HA   PRO  29           HA       PRO  29 118.168   9.496   5.604
    2    HB2  PRO  29           HB2      PRO  29 119.350   9.407   2.885
    3    HB3  PRO  29           HB3      PRO  29 120.099   9.887   4.418
    4    HG2  PRO  29           HG2      PRO  29 120.689   7.567   3.287
    5    HG3  PRO  29           HG3      PRO  29 120.515   7.698   5.049
    6    HD2  PRO  29           HD2      PRO  29 118.575   6.621   3.040
    7    HD3  PRO  29           HD3      PRO  29 119.003   5.978   4.634

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  30           H        SER  30 116.689   8.326   2.642
    2    HA   SER  30           HA       SER  30 115.830  10.876   1.673
    3    HB2  SER  30           HB2      SER  30 114.414   8.281   1.101
    4    HB3  SER  30           HB3      SER  30 114.610   9.687   0.056
    5    HG   SER  30           HG       SER  30 116.989   8.679   0.891

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  31           H        GLY  31 114.913   8.986   4.290
    2    HA2  GLY  31           HA2      GLY  31 112.564  10.667   4.768
    3    HA3  GLY  31           HA3      GLY  31 113.407   9.683   5.961

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU  32           H        LEU  32 113.199   7.858   3.232
    2    HA   LEU  32           HA       LEU  32 110.478   6.983   3.516
    3    HB2  LEU  32           HB2      LEU  32 111.627   6.929   1.304
    4    HB3  LEU  32           HB3      LEU  32 112.743   5.743   1.918
    5    HG   LEU  32           HG       LEU  32 110.758   4.944   0.468
    6   HD11  LEU  32          HD11      LEU  32 111.359   3.583   3.075
    7   HD12  LEU  32          HD12      LEU  32 110.432   2.874   1.773
    8   HD13  LEU  32          HD13      LEU  32 112.107   3.322   1.514
    9   HD21  LEU  32          HD21      LEU  32 109.072   6.246   1.689
   10   HD22  LEU  32          HD22      LEU  32 108.656   4.555   1.559
   11   HD23  LEU  32          HD23      LEU  32 109.253   5.186   3.070

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLN  33           H        GLN  33 109.780   5.286   4.687
    2    HA   GLN  33           HA       GLN  33 111.783   3.624   6.094
    3    HB2  GLN  33           HB2      GLN  33 109.144   4.661   7.131
    4    HB3  GLN  33           HB3      GLN  33 110.279   3.645   7.995
    5    HG2  GLN  33           HG2      GLN  33 111.275   5.544   8.723
    6    HG3  GLN  33           HG3      GLN  33 111.851   5.749   7.081
    7   HE21  GLN  33          HE21      GLN  33 111.347   7.898   8.850
    8   HE22  GLN  33          HE22      GLN  33 110.111   8.791   8.120

  No H/Q in entry =           8
  In of MODEL   14
    1    H    TYR  34           H        TYR  34 111.317   1.470   6.343
    2    HA   TYR  34           HA       TYR  34 108.776   0.484   5.286
    3    HB2  TYR  34           HB2      TYR  34 109.848  -1.241   3.964
    4    HB3  TYR  34           HB3      TYR  34 110.330   0.347   3.389
    5    HD1  TYR  34           HD1      TYR  34 111.364  -2.503   5.500
    6    HD2  TYR  34           HD2      TYR  34 112.630   1.044   3.457
    7    HE1  TYR  34           HE1      TYR  34 113.732  -3.111   5.932
    8    HE2  TYR  34           HE2      TYR  34 115.003   0.441   3.884
    9    HH   TYR  34           HH       TYR  34 116.012  -2.547   4.743

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS  35           H        LYS  35 108.118  -1.466   5.987
    2    HA   LYS  35           HA       LYS  35 109.675  -2.700   8.140
    3    HB2  LYS  35           HB2      LYS  35 108.005  -1.170   9.075
    4    HB3  LYS  35           HB3      LYS  35 106.721  -2.027   8.260
    5    HG2  LYS  35           HG2      LYS  35 108.527  -3.710   9.860
    6    HG3  LYS  35           HG3      LYS  35 107.617  -2.558  10.809
    7    HD2  LYS  35           HD2      LYS  35 105.535  -3.387   9.744
    8    HD3  LYS  35           HD3      LYS  35 106.482  -4.608   8.893
    9    HE2  LYS  35           HE2      LYS  35 105.523  -5.570  10.924
   10    HE3  LYS  35           HE3      LYS  35 107.270  -5.474  11.080
   11    HZ1  LYS  35           HZ1      LYS  35 105.555  -3.278  12.027
   12    HZ2  LYS  35           HZ2      LYS  35 105.817  -4.641  13.005
   13    HZ3  LYS  35           HZ3      LYS  35 107.128  -3.679  12.513

  No H/Q in entry =          13
  In of MODEL   14
    1    H    VAL  36           H        VAL  36 109.663  -4.823   8.087
    2    HA   VAL  36           HA       VAL  36 108.219  -6.075   5.854
    3    HB   VAL  36           HB       VAL  36 110.534  -6.572   5.916

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ILE  37           H        ILE  37 106.210  -6.531   6.303
    2    HA   ILE  37           HA       ILE  37 105.253  -7.383   8.852
    3    HB   ILE  37           HB       ILE  37 103.863  -7.922   6.218
    4   HD11  ILE  37          HD11      ILE  37 104.343  -5.459   8.868
    5   HD12  ILE  37          HD12      ILE  37 104.201  -4.031   7.883
    6   HD13  ILE  37          HD13      ILE  37 102.763  -4.899   8.393

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ASN  38           H        ASN  38 106.136  -8.983   5.866
    2    HA   ASN  38           HA       ASN  38 106.365 -11.542   7.289
    3    HB2  ASN  38           HB2      ASN  38 104.873 -11.092   4.716
    4    HB3  ASN  38           HB3      ASN  38 105.244 -12.662   5.377
    5   HD21  ASN  38          HD21      ASN  38 103.391  -9.682   6.034
    6   HD22  ASN  38          HD22      ASN  38 102.305 -10.410   7.114

  No H/Q in entry =           6
  In of MODEL   14
    1    H    SER  39           H        SER  39 108.271 -12.464   6.796
    2    HA   SER  39           HA       SER  39 109.896 -11.360   4.640
    3    HB2  SER  39           HB2      SER  39 111.695 -12.543   5.570
    4    HB3  SER  39           HB3      SER  39 110.796 -11.909   6.944
    5    HG   SER  39           HG       SER  39 110.537 -14.517   5.837

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  40           H        GLY  40 109.977 -12.220   2.690
    2    HA2  GLY  40           HA2      GLY  40 108.902 -13.709   1.091
    3    HA3  GLY  40           HA3      GLY  40 109.079 -15.001   2.273

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASN  41           H        ASN  41 111.489 -12.556   1.633
    2    HA   ASN  41           HA       ASN  41 113.620 -12.656   0.801
    3    HB2  ASN  41           HB2      ASN  41 113.379 -15.547   1.617
    4    HB3  ASN  41           HB3      ASN  41 114.879 -14.666   1.340
    5   HD21  ASN  41          HD21      ASN  41 112.670 -12.500   2.699
    6   HD22  ASN  41          HD22      ASN  41 113.132 -12.665   4.327

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  42           H        GLY  42 111.387 -13.118  -1.026
    2    HA2  GLY  42           HA2      GLY  42 110.883 -14.159  -3.055
    3    HA3  GLY  42           HA3      GLY  42 112.365 -15.093  -2.939

  No H/Q in entry =           3
  In of MODEL   14
    1    H    VAL  43           H        VAL  43 111.566 -13.930  -5.223
    2    HA   VAL  43           HA       VAL  43 113.799 -12.324  -5.965
    3    HB   VAL  43           HB       VAL  43 112.761 -12.286  -8.175

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  44           H        LYS  44 113.048 -10.328  -7.436
    2    HA   LYS  44           HA       LYS  44 110.929  -8.723  -6.743
    3    HB2  LYS  44           HB2      LYS  44 111.688  -7.147  -5.131
    4    HB3  LYS  44           HB3      LYS  44 111.967  -8.713  -4.450
    5    HG2  LYS  44           HG2      LYS  44 114.240  -7.484  -5.967
    6    HG3  LYS  44           HG3      LYS  44 113.834  -6.787  -4.417
    7    HD2  LYS  44           HD2      LYS  44 114.050  -9.771  -4.538
    8    HD3  LYS  44           HD3      LYS  44 115.549  -8.851  -4.633
    9    HE2  LYS  44           HE2      LYS  44 115.225  -7.903  -2.484
   10    HE3  LYS  44           HE3      LYS  44 113.515  -8.296  -2.461
   11    HZ1  LYS  44           HZ1      LYS  44 115.182 -10.590  -2.830
   12    HZ2  LYS  44           HZ2      LYS  44 115.526  -9.773  -1.380
   13    HZ3  LYS  44           HZ3      LYS  44 113.954 -10.315  -1.692

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  45           HA       PRO  45 112.812  -6.612 -10.066
    2    HB2  PRO  45           HB2      PRO  45 111.224  -4.422 -10.242
    3    HB3  PRO  45           HB3      PRO  45 110.648  -6.053 -10.592
    4    HG2  PRO  45           HG2      PRO  45 110.089  -4.319  -8.279
    5    HG3  PRO  45           HG3      PRO  45 109.180  -5.680  -8.923
    6    HD2  PRO  45           HD2      PRO  45 110.946  -5.688  -6.666
    7    HD3  PRO  45           HD3      PRO  45 109.988  -7.041  -7.330

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  46           H        GLY  46 114.100  -4.968 -10.816
    2    HA2  GLY  46           HA2      GLY  46 115.902  -3.510 -10.500
    3    HA3  GLY  46           HA3      GLY  46 115.452  -3.357  -8.800

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  47           H        LYS  47 115.981  -1.076  -9.748
    2    HA   LYS  47           HA       LYS  47 113.672   0.427  -9.586
    3    HB2  LYS  47           HB2      LYS  47 114.965   2.323 -10.149
    4    HB3  LYS  47           HB3      LYS  47 115.999   1.268  -9.213
    5    HG2  LYS  47           HG2      LYS  47 116.193   0.734 -12.086
    6    HG3  LYS  47           HG3      LYS  47 116.543   2.400 -11.747
    7    HD2  LYS  47           HD2      LYS  47 118.622   1.315 -11.619
    8    HD3  LYS  47           HD3      LYS  47 118.164   1.556  -9.941
    9    HE2  LYS  47           HE2      LYS  47 117.363  -1.009 -11.234
   10    HE3  LYS  47           HE3      LYS  47 119.066  -0.795 -10.889
   11    HZ1  LYS  47           HZ1      LYS  47 117.494   0.043  -8.685
   12    HZ2  LYS  47           HZ2      LYS  47 117.103  -1.551  -9.115
   13    HZ3  LYS  47           HZ3      LYS  47 118.711  -1.139  -8.757

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  48           H        SER  48 114.991  -1.247 -12.247
    2    HA   SER  48           HA       SER  48 113.249   0.250 -14.119
    3    HB2  SER  48           HB2      SER  48 115.722  -1.408 -14.507
    4    HB3  SER  48           HB3      SER  48 114.680  -0.971 -15.858
    5    HG   SER  48           HG       SER  48 116.331   0.603 -14.266

  No H/Q in entry =           5
  In of MODEL   14
    1    H    ASP  49           H        ASP  49 113.321  -2.756 -12.461
    2    HA   ASP  49           HA       ASP  49 111.904  -4.184 -14.619
    3    HB2  ASP  49           HB2      ASP  49 112.656  -4.997 -11.831
    4    HB3  ASP  49           HB3      ASP  49 111.669  -5.989 -12.878

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR  50           H        THR  50 109.771  -5.234 -14.081
    2    HA   THR  50           HA       THR  50 108.056  -3.246 -12.753
    3    HB   THR  50           HB       THR  50 107.108  -5.351 -14.650
    4    HG1  THR  50           HG1      THR  50 107.211  -3.142 -15.930
    5   HG21  THR  50          HG21      THR  50 106.003  -2.747 -13.673
    6   HG22  THR  50          HG22      THR  50 105.384  -3.591 -15.089
    7   HG23  THR  50          HG23      THR  50 105.316  -4.376 -13.510

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  51           H        VAL  51 106.394  -3.844 -11.404
    2    HA   VAL  51           HA       VAL  51 106.751  -6.491 -10.118
    3    HB   VAL  51           HB       VAL  51 107.724  -4.442  -8.957

  No H/Q in entry =           3
  In of MODEL   14
    1    H    THR  52           H        THR  52 104.936  -7.316  -8.917
    2    HA   THR  52           HA       THR  52 102.320  -6.113  -9.691
    3    HB   THR  52           HB       THR  52 103.048  -9.053  -9.501
    4    HG1  THR  52           HG1      THR  52 103.321  -7.340 -11.446
    5   HG21  THR  52          HG21      THR  52 100.466  -7.570  -9.860
    6   HG22  THR  52          HG22      THR  52 100.680  -9.183 -10.533
    7   HG23  THR  52          HG23      THR  52 100.833  -8.944  -8.808

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  53           H        VAL  53 101.276  -5.441  -7.857
    2    HA   VAL  53           HA       VAL  53 101.609  -7.001  -5.350
    3    HB   VAL  53           HB       VAL  53 102.237  -4.986  -4.149

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLU  54           H        GLU  54 100.196  -6.325  -3.578
    2    HA   GLU  54           HA       GLU  54  97.781  -4.775  -4.425
    3    HB2  GLU  54           HB2      GLU  54  97.660  -6.814  -2.177
    4    HB3  GLU  54           HB3      GLU  54  96.366  -6.045  -3.075
    5    HG2  GLU  54           HG2      GLU  54  96.453  -7.497  -4.814
    6    HG3  GLU  54           HG3      GLU  54  98.173  -7.758  -4.683

  No H/Q in entry =           6
  In of MODEL   14
    1    H    TYR  55           H        TYR  55  96.967  -3.308  -2.670
    2    HA   TYR  55           HA       TYR  55  98.568  -3.149  -0.269
    3    HB2  TYR  55           HB2      TYR  55  99.440  -0.878  -0.865
    4    HB3  TYR  55           HB3      TYR  55 100.073  -2.173  -1.887
    5    HD1  TYR  55           HD1      TYR  55  97.534   0.529  -1.705
    6    HD2  TYR  55           HD2      TYR  55  99.554  -2.255  -4.246
    7    HE1  TYR  55           HE1      TYR  55  96.493   1.609  -3.674
    8    HE2  TYR  55           HE2      TYR  55  98.537  -1.169  -6.228
    9    HH   TYR  55           HH       TYR  55  96.926   1.839  -6.069

  No H/Q in entry =           9
  In of MODEL   14
    1    H    THR  56           H        THR  56  98.006  -1.402   1.187
    2    HA   THR  56           HA       THR  56  95.462  -0.074   0.607
    3    HB   THR  56           HB       THR  56  96.141  -1.544   3.101
    4    HG1  THR  56           HG1      THR  56  94.269  -2.470   2.688
    5   HG21  THR  56          HG21      THR  56  94.259   0.818   2.848
    6   HG22  THR  56          HG22      THR  56  94.243  -0.313   4.200
    7   HG23  THR  56          HG23      THR  56  95.651   0.701   3.912

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  57           H        GLY  57  95.478   2.069   0.758
    2    HA2  GLY  57           HA2      GLY  57  97.021   3.970   0.641
    3    HA3  GLY  57           HA3      GLY  57  97.895   3.270   1.992

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ARG  58           H        ARG  58  97.722   4.826   3.536
    2    HA   ARG  58           HA       ARG  58  95.148   6.069   3.991
    3    HB2  ARG  58           HB2      ARG  58  94.782   5.333   6.140
    4    HB3  ARG  58           HB3      ARG  58  95.373   3.879   5.349
    5    HG2  ARG  58           HG2      ARG  58  97.543   4.085   6.336
    6    HG3  ARG  58           HG3      ARG  58  97.234   5.722   6.897
    7    HD2  ARG  58           HD2      ARG  58  96.920   4.490   8.832
    8    HD3  ARG  58           HD3      ARG  58  95.280   4.616   8.225
    9    HE   ARG  58           HE       ARG  58  96.611   2.271   7.243
   10   HH11  ARG  58          HH11      ARG  58  94.812   3.671   9.858
   11   HH12  ARG  58          HH12      ARG  58  94.415   2.141  10.568
   12   HH21  ARG  58          HH21      ARG  58  96.104   0.278   8.192
   13   HH22  ARG  58          HH22      ARG  58  95.160   0.231   9.644

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  59           H        LEU  59  95.180   7.702   5.664
    2    HA   LEU  59           HA       LEU  59  97.485   9.442   5.363
    3    HB2  LEU  59           HB2      LEU  59  94.696   9.640   6.258
    4    HB3  LEU  59           HB3      LEU  59  95.770  10.699   7.139
    5    HG   LEU  59           HG       LEU  59  96.604  11.425   4.766
    6   HD11  LEU  59          HD11      LEU  59  93.924  10.210   4.123
    7   HD12  LEU  59          HD12      LEU  59  94.788  11.298   3.079
    8   HD13  LEU  59          HD13      LEU  59  95.459   9.729   3.469
    9   HD21  LEU  59          HD21      LEU  59  95.163  12.755   6.422
   10   HD22  LEU  59          HD22      LEU  59  95.062  13.209   4.729
   11   HD23  LEU  59          HD23      LEU  59  93.786  12.257   5.454

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE  60           H        ILE  60  98.395  10.524   7.240
    2    HA   ILE  60           HA       ILE  60  99.450   8.746   9.156
    3    HB   ILE  60           HB       ILE  60 100.427  10.631  10.183
    4   HD11  ILE  60          HD11      ILE  60  98.876  12.774   7.560
    5   HD12  ILE  60          HD12      ILE  60  97.478  11.911   8.200
    6   HD13  ILE  60          HD13      ILE  60  97.755  13.571   8.667

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ASP  61           H        ASP  61  96.615  10.624   9.032
    2    HA   ASP  61           HA       ASP  61  96.022  10.387  11.880
    3    HB2  ASP  61           HB2      ASP  61  95.687  12.496  10.501
    4    HB3  ASP  61           HB3      ASP  61  94.307  11.680   9.764

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLY  62           H        GLY  62  95.790   8.285   9.483
    2    HA2  GLY  62           HA2      GLY  62  93.521   6.930  10.725
    3    HA3  GLY  62           HA3      GLY  62  94.678   6.236   9.625

  No H/Q in entry =           3
  In of MODEL   14
    1    H    THR  63           H        THR  63  93.553   9.164   8.345
    2    HA   THR  63           HA       THR  63  91.050   8.254   7.299
    3    HB   THR  63           HB       THR  63  92.739  10.361   5.977
    4    HG1  THR  63           HG1      THR  63  92.729  11.213   7.911
    5   HG21  THR  63          HG21      THR  63  90.552   9.499   5.015
    6   HG22  THR  63          HG22      THR  63  89.774  10.235   6.405
    7   HG23  THR  63          HG23      THR  63  90.658  11.241   5.263

  No H/Q in entry =           7
  In of MODEL   14
    1    H    VAL  64           H        VAL  64  90.971   6.456   6.126
    2    HA   VAL  64           HA       VAL  64  93.056   5.723   4.282
    3    HB   VAL  64           HB       VAL  64  90.352   4.486   4.752

  No H/Q in entry =           3
  In of MODEL   14
    1    H    PHE  65           H        PHE  65  93.350   6.501   2.396
    2    HA   PHE  65           HA       PHE  65  91.051   7.741   1.026
    3    HB2  PHE  65           HB2      PHE  65  92.637   9.122  -0.142
    4    HB3  PHE  65           HB3      PHE  65  92.954   9.179   1.585
    5    HD1  PHE  65           HD1      PHE  65  94.766   7.727   2.549
    6    HD2  PHE  65           HD2      PHE  65  94.387   8.459  -1.656
    7    HE1  PHE  65           HE1      PHE  65  97.167   7.157   2.230
    8    HE2  PHE  65           HE2      PHE  65  96.790   7.925  -1.946
    9    HZ   PHE  65           HZ       PHE  65  98.157   7.272  -0.021

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP  66           H        ASP  66  93.271   5.144   0.807
    2    HA   ASP  66           HA       ASP  66  91.948   4.259  -1.621
    3    HB2  ASP  66           HB2      ASP  66  93.880   5.735  -2.312
    4    HB3  ASP  66           HB3      ASP  66  94.945   4.506  -1.643

  No H/Q in entry =           4
  In of MODEL   14
    1    H    SER  67           H        SER  67  92.339   2.093  -2.168
    2    HA   SER  67           HA       SER  67  94.007   0.491  -0.510
    3    HB2  SER  67           HB2      SER  67  92.310  -0.890   0.485
    4    HB3  SER  67           HB3      SER  67  92.048   0.789   0.960
    5    HG   SER  67           HG       SER  67  90.482  -0.895  -0.512

  No H/Q in entry =           5
  In of MODEL   14
    1    H    THR  68           H        THR  68  94.056  -1.777  -1.088
    2    HA   THR  68           HA       THR  68  92.801  -2.538  -3.608
    3    HB   THR  68           HB       THR  68  95.805  -2.324  -3.387
    4    HG1  THR  68           HG1      THR  68  94.555  -1.027  -5.415
    5   HG21  THR  68          HG21      THR  68  93.962  -3.441  -5.486
    6   HG22  THR  68          HG22      THR  68  95.588  -2.894  -5.864
    7   HG23  THR  68          HG23      THR  68  95.354  -4.211  -4.727

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  69           H        GLU  69  95.103  -3.234  -1.028
    2    HA   GLU  69           HA       GLU  69  95.171  -6.037  -1.456
    3    HB2  GLU  69           HB2      GLU  69  96.138  -6.176   0.758
    4    HB3  GLU  69           HB3      GLU  69  96.899  -4.931  -0.221
    5    HG2  GLU  69           HG2      GLU  69  96.614  -3.877   1.831
    6    HG3  GLU  69           HG3      GLU  69  95.293  -3.313   0.826

  No H/Q in entry =           6
  In of MODEL   14
    1    H    LYS  70           H        LYS  70  92.992  -3.821  -0.049
    2    HA   LYS  70           HA       LYS  70  91.474  -5.525   1.576
    3    HB2  LYS  70           HB2      LYS  70  90.747  -3.097  -0.058
    4    HB3  LYS  70           HB3      LYS  70  89.610  -3.898   1.022
    5    HG2  LYS  70           HG2      LYS  70  92.316  -2.868   1.881
    6    HG3  LYS  70           HG3      LYS  70  90.837  -1.912   1.998
    7    HD2  LYS  70           HD2      LYS  70  89.875  -3.959   3.308
    8    HD3  LYS  70           HD3      LYS  70  91.552  -4.450   3.494
    9    HE2  LYS  70           HE2      LYS  70  92.018  -2.792   4.997
   10    HE3  LYS  70           HE3      LYS  70  90.973  -1.614   4.214
   11    HZ1  LYS  70           HZ1      LYS  70  89.141  -3.281   5.051
   12    HZ2  LYS  70           HZ2      LYS  70  90.324  -3.631   6.220
   13    HZ3  LYS  70           HZ3      LYS  70  89.749  -2.045   6.043

  No H/Q in entry =          13
  In of MODEL   14
    1    H    THR  71           H        THR  71  91.348  -4.647  -1.799
    2    HA   THR  71           HA       THR  71  89.228  -6.454  -2.485
    3    HB   THR  71           HB       THR  71  90.325  -5.913  -4.872
    4    HG1  THR  71           HG1      THR  71  91.005  -3.516  -3.790
    5   HG21  THR  71          HG21      THR  71  88.647  -4.137  -3.115
    6   HG22  THR  71          HG22      THR  71  89.067  -3.647  -4.756
    7   HG23  THR  71          HG23      THR  71  88.151  -5.130  -4.484

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  72           H        GLY  72  92.735  -6.496  -2.390
    2    HA2  GLY  72           HA2      GLY  72  92.758  -9.369  -2.489
    3    HA3  GLY  72           HA3      GLY  72  94.150  -8.323  -2.236

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS  73           H        LYS  73  93.175  -6.805  -4.727
    2    HA   LYS  73           HA       LYS  73  94.039  -8.753  -6.767
    3    HB2  LYS  73           HB2      LYS  73  92.308  -6.317  -6.849
    4    HB3  LYS  73           HB3      LYS  73  93.117  -6.834  -8.326
    5    HG2  LYS  73           HG2      LYS  73  91.285  -8.148  -8.641
    6    HG3  LYS  73           HG3      LYS  73  92.003  -9.226  -7.456
    7    HD2  LYS  73           HD2      LYS  73  90.762  -8.057  -5.661
    8    HD3  LYS  73           HD3      LYS  73  90.036  -6.999  -6.870
    9    HE2  LYS  73           HE2      LYS  73  88.523  -8.823  -6.275
   10    HE3  LYS  73           HE3      LYS  73  89.011  -8.951  -7.963
   11    HZ1  LYS  73           HZ1      LYS  73  90.859 -10.329  -6.352
   12    HZ2  LYS  73           HZ2      LYS  73  89.296 -10.846  -5.942
   13    HZ3  LYS  73           HZ3      LYS  73  89.829 -10.949  -7.552

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  74           HA       PRO  74  97.886  -6.531  -6.605
    2    HB2  PRO  74           HB2      PRO  74  98.538  -8.189  -8.983
    3    HB3  PRO  74           HB3      PRO  74  99.429  -7.971  -7.468
    4    HG2  PRO  74           HG2      PRO  74  98.104 -10.209  -7.951
    5    HG3  PRO  74           HG3      PRO  74  98.129  -9.489  -6.338
    6    HD2  PRO  74           HD2      PRO  74  95.982  -9.391  -8.407
    7    HD3  PRO  74           HD3      PRO  74  95.893  -9.666  -6.659

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  75           H        ALA  75  98.949  -4.988  -7.716
    2    HA   ALA  75           HA       ALA  75  97.753  -3.997 -10.242
    3    HB1  ALA  75           HB1      ALA  75  97.411  -2.625  -8.017
    4    HB2  ALA  75           HB2      ALA  75  97.876  -1.791  -9.497
    5    HB3  ALA  75           HB3      ALA  75  99.093  -2.160  -8.274

  No H/Q in entry =           5
  In of MODEL   14
    1    H    THR  76           H        THR  76  99.311  -3.181 -11.785
    2    HA   THR  76           HA       THR  76 102.050  -4.123 -11.233
    3    HB   THR  76           HB       THR  76 101.259  -5.259 -13.083
    4    HG1  THR  76           HG1      THR  76 103.206  -3.959 -13.470
    5   HG21  THR  76          HG21      THR  76  99.968  -2.644 -13.889
    6   HG22  THR  76          HG22      THR  76  99.992  -4.076 -14.913
    7   HG23  THR  76          HG23      THR  76  99.154  -4.115 -13.371

  No H/Q in entry =           7
  In of MODEL   14
    1    H    PHE  77           H        PHE  77 103.621  -2.747 -10.967
    2    HA   PHE  77           HA       PHE  77 103.476  -0.096 -12.248
    3    HB2  PHE  77           HB2      PHE  77 104.536  -0.634  -9.490
    4    HB3  PHE  77           HB3      PHE  77 104.501   0.917 -10.270
    5    HD1  PHE  77           HD1      PHE  77 102.956  -0.911  -7.869
    6    HD2  PHE  77           HD2      PHE  77 101.957   1.406 -11.350
    7    HE1  PHE  77           HE1      PHE  77 100.632  -0.633  -7.033
    8    HE2  PHE  77           HE2      PHE  77  99.673   1.696 -10.514
    9    HZ   PHE  77           HZ       PHE  77  98.986   0.679  -8.352

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLN  78           H        GLN  78 105.420   0.738 -12.814
    2    HA   GLN  78           HA       GLN  78 107.629  -1.169 -12.926
    3    HB2  GLN  78           HB2      GLN  78 107.159   1.464 -14.299
    4    HB3  GLN  78           HB3      GLN  78 108.711   0.648 -14.333
    5    HG2  GLN  78           HG2      GLN  78 107.377  -1.403 -15.172
    6    HG3  GLN  78           HG3      GLN  78 106.098  -0.257 -15.509
    7   HE21  GLN  78          HE21      GLN  78 108.782   1.523 -15.872
    8   HE22  GLN  78          HE22      GLN  78 109.121   1.276 -17.514

  No H/Q in entry =           8
  In of MODEL   14
    1    H    VAL  79           H        VAL  79 109.296  -0.968 -11.530
    2    HA   VAL  79           HA       VAL  79 108.961   0.605  -9.280
    3    HB   VAL  79           HB       VAL  79 111.612  -0.386 -10.361

  No H/Q in entry =           3
  In of MODEL   14
    1    H    SER  80           H        SER  80 110.529   1.347 -12.360
    2    HA   SER  80           HA       SER  80 111.882   3.668 -11.404
    3    HB2  SER  80           HB2      SER  80 112.890   2.980 -13.352
    4    HB3  SER  80           HB3      SER  80 111.369   2.405 -14.033
    5    HG   SER  80           HG       SER  80 112.558   4.577 -14.674

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLN  81           H        GLN  81 108.677   3.055 -12.574
    2    HA   GLN  81           HA       GLN  81 108.131   5.930 -12.892
    3    HB2  GLN  81           HB2      GLN  81 106.290   3.663 -13.573
    4    HB3  GLN  81           HB3      GLN  81 106.266   5.317 -14.168
    5    HG2  GLN  81           HG2      GLN  81 108.418   3.290 -14.739
    6    HG3  GLN  81           HG3      GLN  81 107.147   3.855 -15.851
    7   HE21  GLN  81          HE21      GLN  81 110.221   4.173 -15.909
    8   HE22  GLN  81          HE22      GLN  81 110.449   5.846 -16.099

  No H/Q in entry =           8
  In of MODEL   14
    1    H    VAL  82           H        VAL  82 107.810   3.576 -10.472
    2    HA   VAL  82           HA       VAL  82 105.226   4.409  -9.492
    3    HB   VAL  82           HB       VAL  82 106.458   2.130  -9.300

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ILE  83           H        ILE  83 104.976   5.136  -7.146
    2    HA   ILE  83           HA       ILE  83 106.011   7.686  -6.931
    3    HB   ILE  83           HB       ILE  83 105.516   6.621  -4.240
    4   HD11  ILE  83          HD11      ILE  83 103.244   5.945  -3.400
    5   HD12  ILE  83          HD12      ILE  83 102.265   6.840  -4.565
    6   HD13  ILE  83          HD13      ILE  83 102.167   5.090  -4.487

  No H/Q in entry =           6
  In of MODEL   14
    1    HA   PRO  84           HA       PRO  84 110.292   7.271  -5.923
    2    HB2  PRO  84           HB2      PRO  84 109.806   9.112  -3.619
    3    HB3  PRO  84           HB3      PRO  84 111.044   9.209  -4.880
    4    HG2  PRO  84           HG2      PRO  84 108.932  10.804  -4.933
    5    HG3  PRO  84           HG3      PRO  84 109.564  10.096  -6.412
    6    HD2  PRO  84           HD2      PRO  84 107.141   9.357  -4.897
    7    HD3  PRO  84           HD3      PRO  84 107.405   9.321  -6.640

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  85           H        GLY  85 108.177   7.392  -3.068
    2    HA2  GLY  85           HA2      GLY  85 108.154   6.075  -1.185
    3    HA3  GLY  85           HA3      GLY  85 109.899   6.083  -1.296

  No H/Q in entry =           3
  In of MODEL   14
    1    H    TRP  86           H        TRP  86 107.395   4.834  -3.370
    2    HA   TRP  86           HA       TRP  86 107.670   2.075  -2.724
    3    HB2  TRP  86           HB2      TRP  86 106.338   3.751  -4.808
    4    HB3  TRP  86           HB3      TRP  86 106.518   2.033  -5.146
    5    HD1  TRP  86           HD1      TRP  86 105.159   4.188  -2.225
    6    HE1  TRP  86           HE1      TRP  86 103.074   3.047  -1.311
    7    HE3  TRP  86           HE3      TRP  86 105.138   0.196  -5.222
    8    HZ2  TRP  86           HZ2      TRP  86 101.566   0.662  -1.837
    9    HZ3  TRP  86           HZ3      TRP  86 103.378  -1.487  -5.046
   10    HH2  TRP  86           HH2      TRP  86 101.558  -1.269  -3.374

  No H/Q in entry =          10
  In of MODEL   14
    1    H    THR  87           H        THR  87 109.264   4.162  -5.080
    2    HA   THR  87           HA       THR  87 110.296   2.358  -6.875
    3    HB   THR  87           HB       THR  87 111.764   4.716  -5.695
    4    HG1  THR  87           HG1      THR  87 109.716   5.317  -6.362
    5   HG21  THR  87          HG21      THR  87 112.843   2.975  -7.420
    6   HG22  THR  87          HG22      THR  87 111.902   3.921  -8.561
    7   HG23  THR  87          HG23      THR  87 113.108   4.702  -7.577

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLU  88           H        GLU  88 111.906   3.443  -3.877
    2    HA   GLU  88           HA       GLU  88 114.054   1.586  -4.128
    3    HB2  GLU  88           HB2      GLU  88 114.207   3.772  -2.968
    4    HB3  GLU  88           HB3      GLU  88 113.187   3.125  -1.681
    5    HG2  GLU  88           HG2      GLU  88 114.842   1.340  -1.258
    6    HG3  GLU  88           HG3      GLU  88 115.853   1.976  -2.555

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ALA  89           H        ALA  89 111.097   1.576  -2.171
    2    HA   ALA  89           HA       ALA  89 111.749  -0.547  -0.489
    3    HB1  ALA  89           HB1      ALA  89 109.083   0.385  -1.510
    4    HB2  ALA  89           HB2      ALA  89 109.875   0.842  -0.002
    5    HB3  ALA  89           HB3      ALA  89 109.291  -0.804  -0.234

  No H/Q in entry =           5
  In of MODEL   14
    1    H    LEU  90           H        LEU  90 110.070  -0.723  -3.643
    2    HA   LEU  90           HA       LEU  90 109.366  -3.436  -3.533
    3    HB2  LEU  90           HB2      LEU  90 110.186  -1.808  -5.949
    4    HB3  LEU  90           HB3      LEU  90 109.286  -3.312  -5.990
    5    HG   LEU  90           HG       LEU  90 108.311  -0.909  -4.451
    6   HD11  LEU  90          HD11      LEU  90 107.842  -1.650  -7.327
    7   HD12  LEU  90          HD12      LEU  90 106.871  -0.480  -6.467
    8   HD13  LEU  90          HD13      LEU  90 108.580  -0.186  -6.725
    9   HD21  LEU  90          HD21      LEU  90 107.060  -3.435  -5.470
   10   HD22  LEU  90          HD22      LEU  90 107.156  -2.892  -3.818
   11   HD23  LEU  90          HD23      LEU  90 106.106  -2.075  -4.964

  No H/Q in entry =          11
  In of MODEL   14
    1    H    GLN  91           H        GLN  91 112.317  -1.870  -4.648
    2    HA   GLN  91           HA       GLN  91 113.635  -4.148  -5.640
    3    HB2  GLN  91           HB2      GLN  91 114.876  -1.689  -4.414
    4    HB3  GLN  91           HB3      GLN  91 115.618  -2.784  -5.579
    5    HG2  GLN  91           HG2      GLN  91 113.961  -2.158  -7.267
    6    HG3  GLN  91           HG3      GLN  91 113.142  -1.121  -6.101
    7   HE21  GLN  91          HE21      GLN  91 113.570   0.935  -7.037
    8   HE22  GLN  91          HE22      GLN  91 115.134   1.544  -7.278

  No H/Q in entry =           8
  In of MODEL   14
    1    H    LEU  92           H        LEU  92 113.096  -2.936  -2.449
    2    HA   LEU  92           HA       LEU  92 115.153  -4.712  -1.299
    3    HB2  LEU  92           HB2      LEU  92 113.428  -2.601   0.013
    4    HB3  LEU  92           HB3      LEU  92 114.708  -3.520   0.800
    5    HG   LEU  92           HG       LEU  92 115.114  -1.668  -1.557
    6   HD11  LEU  92          HD11      LEU  92 115.674  -1.330   1.372
    7   HD12  LEU  92          HD12      LEU  92 116.231  -0.240   0.101
    8   HD13  LEU  92          HD13      LEU  92 114.507  -0.429   0.404
    9   HD21  LEU  92          HD21      LEU  92 116.938  -3.416   0.051
   10   HD22  LEU  92          HD22      LEU  92 116.862  -3.215  -1.696
   11   HD23  LEU  92          HD23      LEU  92 117.547  -1.943  -0.696

  No H/Q in entry =          11
  In of MODEL   14
    1    H    MET  93           H        MET  93 111.791  -4.633  -1.886
    2    HA   MET  93           HA       MET  93 111.155  -6.390   0.352
    3    HB2  MET  93           HB2      MET  93 109.529  -4.721  -0.178
    4    HB3  MET  93           HB3      MET  93 109.492  -5.224  -1.867
    5    HG2  MET  93           HG2      MET  93 108.455  -7.293  -1.336
    6    HG3  MET  93           HG3      MET  93 108.816  -7.122   0.385
    7    HE1  MET  93           HE1      MET  93 107.368  -5.721  -2.637
    8    HE2  MET  93           HE2      MET  93 105.660  -5.910  -2.281
    9    HE3  MET  93           HE3      MET  93 106.436  -4.331  -2.125

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   PRO  94           HA       PRO  94 112.102  -9.913  -2.486
    2    HB2  PRO  94           HB2      PRO  94 111.450 -11.504  -0.095
    3    HB3  PRO  94           HB3      PRO  94 112.916 -11.529  -1.099
    4    HG2  PRO  94           HG2      PRO  94 112.925 -10.504   1.357
    5    HG3  PRO  94           HG3      PRO  94 113.869  -9.768   0.045
    6    HD2  PRO  94           HD2      PRO  94 111.243  -8.904   1.174
    7    HD3  PRO  94           HD3      PRO  94 112.636  -7.943   0.713

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  95           H        ALA  95 110.811 -11.424  -3.580
    2    HA   ALA  95           HA       ALA  95 108.041 -10.961  -3.546
    3    HB1  ALA  95           HB1      ALA  95 109.660 -13.130  -4.815
    4    HB2  ALA  95           HB2      ALA  95 107.901 -13.015  -4.982
    5    HB3  ALA  95           HB3      ALA  95 108.927 -11.716  -5.578

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  96           H        GLY  96 106.396 -11.796  -2.540
    2    HA2  GLY  96           HA2      GLY  96 106.696 -14.291  -1.026
    3    HA3  GLY  96           HA3      GLY  96 105.197 -13.420  -1.360

  No H/Q in entry =           3
  In of MODEL   14
    1    H    SER  97           H        SER  97 107.762 -11.390  -0.512
    2    HA   SER  97           HA       SER  97 107.213 -11.453   2.354
    3    HB2  SER  97           HB2      SER  97 109.545 -11.205   1.319
    4    HB3  SER  97           HB3      SER  97 109.060  -9.572   0.893
    5    HG   SER  97           HG       SER  97 108.544 -10.338   3.495

  No H/Q in entry =           5
  In of MODEL   14
    1    H    THR  98           H        THR  98 105.723 -10.231   3.253
    2    HA   THR  98           HA       THR  98 104.550  -8.022   1.729
    3    HB   THR  98           HB       THR  98 103.562  -9.295   4.293
    4    HG1  THR  98           HG1      THR  98 102.676 -10.724   3.024
    5   HG21  THR  98          HG21      THR  98 102.376  -7.331   2.310
    6   HG22  THR  98          HG22      THR  98 101.465  -8.160   3.572
    7   HG23  THR  98          HG23      THR  98 102.757  -7.049   4.007

  No H/Q in entry =           7
  In of MODEL   14
    1    H    TRP  99           H        TRP  99 105.334  -6.094   2.045
    2    HA   TRP  99           HA       TRP  99 106.372  -5.388   4.726
    3    HB2  TRP  99           HB2      TRP  99 107.133  -4.359   1.993
    4    HB3  TRP  99           HB3      TRP  99 107.652  -3.608   3.490
    5    HD1  TRP  99           HD1      TRP  99 107.630  -7.400   3.589
    6    HE1  TRP  99           HE1      TRP  99 110.012  -8.275   3.524
    7    HE3  TRP  99           HE3      TRP  99 110.002  -3.047   2.456
    8    HZ2  TRP  99           HZ2      TRP  99 112.655  -7.222   3.040
    9    HZ3  TRP  99           HZ3      TRP  99 112.473  -3.005   2.209
   10    HH2  TRP  99           HH2      TRP  99 113.801  -5.083   2.502

  No H/Q in entry =          10
  In of MODEL   14
    1    H    GLU 100           H        GLU 100 106.303  -3.084   5.171
    2    HA   GLU 100           HA       GLU 100 103.984  -1.657   4.061
    3    HB2  GLU 100           HB2      GLU 100 104.710  -2.032   6.965
    4    HB3  GLU 100           HB3      GLU 100 103.800  -0.625   6.432
    5    HG2  GLU 100           HG2      GLU 100 102.054  -2.017   5.525
    6    HG3  GLU 100           HG3      GLU 100 102.964  -3.474   5.871

  No H/Q in entry =           6
  In of MODEL   14
    1    H    ILE 101           H        ILE 101 104.515   0.447   3.516
    2    HA   ILE 101           HA       ILE 101 107.041   1.463   4.549
    3    HB   ILE 101           HB       ILE 101 107.942   1.997   2.500
    4   HD11  ILE 101          HD11      ILE 101 107.260   1.083  -0.213
    5   HD12  ILE 101          HD12      ILE 101 106.418   2.516  -0.764
    6   HD13  ILE 101          HD13      ILE 101 107.892   2.677   0.179

  No H/Q in entry =           6
  In of MODEL   14
    1    H    TYR 102           H        TYR 102 107.141   3.491   5.047
    2    HA   TYR 102           HA       TYR 102 104.622   5.028   4.928
    3    HB2  TYR 102           HB2      TYR 102 106.996   5.316   6.782
    4    HB3  TYR 102           HB3      TYR 102 105.457   6.129   6.946
    5    HD1  TYR 102           HD1      TYR 102 106.511   2.524   6.414
    6    HD2  TYR 102           HD2      TYR 102 104.195   5.264   8.744
    7    HE1  TYR 102           HE1      TYR 102 105.686   0.662   7.734
    8    HE2  TYR 102           HE2      TYR 102 103.362   3.377  10.107
    9    HH   TYR 102           HH       TYR 102 103.084   0.709   9.592

  No H/Q in entry =           9
  In of MODEL   14
    1    H    VAL 103           H        VAL 103 104.816   6.181   3.101
    2    HA   VAL 103           HA       VAL 103 107.333   7.172   2.238
    3    HB   VAL 103           HB       VAL 103 104.712   7.619   0.920

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO 104           HA       PRO 104 106.826  11.252   4.118
    2    HB2  PRO 104           HB2      PRO 104 108.940  11.819   2.078
    3    HB3  PRO 104           HB3      PRO 104 108.922  12.221   3.804
    4    HG2  PRO 104           HG2      PRO 104 110.422  10.214   2.819
    5    HG3  PRO 104           HG3      PRO 104 109.717  10.148   4.423
    6    HD2  PRO 104           HD2      PRO 104 108.959   8.659   2.005
    7    HD3  PRO 104           HD3      PRO 104 108.673   8.263   3.717

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER 105           H        SER 105 105.654  13.042   3.354
    2    HA   SER 105           HA       SER 105 104.087  12.787   1.096
    3    HB2  SER 105           HB2      SER 105 103.353  14.999   1.483
    4    HB3  SER 105           HB3      SER 105 103.815  14.396   3.073
    5    HG   SER 105           HG       SER 105 104.639  16.559   2.210

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY 106           H        GLY 106 107.352  14.034   1.365
    2    HA2  GLY 106           HA2      GLY 106 108.796  14.924  -0.197
    3    HA3  GLY 106           HA3      GLY 106 107.395  15.380  -1.162

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LEU 107           H        LEU 107 107.920  12.147  -0.011
    2    HA   LEU 107           HA       LEU 107 108.905  11.254  -2.639
    3    HB2  LEU 107           HB2      LEU 107 108.703   9.754  -0.018
    4    HB3  LEU 107           HB3      LEU 107 109.465   9.163  -1.467
    5    HG   LEU 107           HG       LEU 107 110.376  11.428   0.300
    6   HD11  LEU 107          HD11      LEU 107 110.964   9.097   0.906
    7   HD12  LEU 107          HD12      LEU 107 111.750   8.927  -0.654
    8   HD13  LEU 107          HD13      LEU 107 112.374  10.075   0.520
    9   HD21  LEU 107          HD21      LEU 107 111.134  10.791  -2.519
   10   HD22  LEU 107          HD22      LEU 107 110.874  12.359  -1.782
   11   HD23  LEU 107          HD23      LEU 107 112.341  11.459  -1.432

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ALA 108           H        ALA 108 105.946  11.699  -1.251
    2    HA   ALA 108           HA       ALA 108 104.822   9.209  -2.354
    3    HB1  ALA 108           HB1      ALA 108 103.484  11.125  -0.448
    4    HB2  ALA 108           HB2      ALA 108 102.954   9.511  -0.895
    5    HB3  ALA 108           HB3      ALA 108 104.393   9.735   0.060

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR 109           H        TYR 109 102.541  11.638  -1.706
    2    HA   TYR 109           HA       TYR 109 102.084  11.987  -4.568
    3    HB2  TYR 109           HB2      TYR 109 100.340  12.095  -2.142
    4    HB3  TYR 109           HB3      TYR 109  99.804  12.866  -3.639
    5    HD1  TYR 109           HD1      TYR 109 100.306   9.761  -1.911
    6    HD2  TYR 109           HD2      TYR 109  99.823  11.450  -5.819
    7    HE1  TYR 109           HE1      TYR 109  99.888   7.533  -2.811
    8    HE2  TYR 109           HE2      TYR 109  99.432   9.201  -6.768
    9    HH   TYR 109           HH       TYR 109  99.011   6.414  -4.664

  No H/Q in entry =           9
  In of MODEL   14
    1    H    GLY 110           H        GLY 110 103.753  13.624  -2.332
    2    HA2  GLY 110           HA2      GLY 110 103.196  16.208  -3.664
    3    HA3  GLY 110           HA3      GLY 110 104.732  15.732  -2.963

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO 111           HA       PRO 111 103.652  17.722   0.813
    2    HB2  PRO 111           HB2      PRO 111 104.515  20.237   0.439
    3    HB3  PRO 111           HB3      PRO 111 105.640  18.868   0.459
    4    HG2  PRO 111           HG2      PRO 111 104.461  20.275  -1.898
    5    HG3  PRO 111           HG3      PRO 111 106.151  19.825  -1.596
    6    HD2  PRO 111           HD2      PRO 111 104.498  18.320  -3.151
    7    HD3  PRO 111           HD3      PRO 111 105.790  17.602  -2.176

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ARG 112           H        ARG 112 102.134  18.641  -2.088
    2    HA   ARG 112           HA       ARG 112 100.270  20.523  -0.790
    3    HB2  ARG 112           HB2      ARG 112 100.639  19.704  -3.678
    4    HB3  ARG 112           HB3      ARG 112  99.416  20.836  -3.113
    5    HG2  ARG 112           HG2      ARG 112 101.218  22.299  -2.209
    6    HG3  ARG 112           HG3      ARG 112 102.419  21.177  -2.856
    7    HD2  ARG 112           HD2      ARG 112 101.555  21.527  -5.128
    8    HD3  ARG 112           HD3      ARG 112 100.317  22.610  -4.501
    9    HE   ARG 112           HE       ARG 112 101.956  24.266  -4.189
   10   HH11  ARG 112          HH11      ARG 112 103.322  21.235  -5.180
   11   HH12  ARG 112          HH12      ARG 112 104.870  21.909  -5.563
   12   HH21  ARG 112          HH21      ARG 112 103.984  25.142  -4.693
   13   HH22  ARG 112          HH22      ARG 112 105.241  24.116  -5.297

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER 113           H        SER 113  97.918  20.209  -1.382
    2    HA   SER 113           HA       SER 113  97.122  17.538  -0.711
    3    HB2  SER 113           HB2      SER 113  95.318  19.724  -1.745
    4    HB3  SER 113           HB3      SER 113  94.913  18.370  -0.696
    5    HG   SER 113           HG       SER 113  95.447  19.575   0.908

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL 114           H        VAL 114  98.186  16.480  -2.538
    2    HA   VAL 114           HA       VAL 114  96.931  16.861  -5.177
    3    HB   VAL 114           HB       VAL 114  99.106  14.914  -4.412

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLY 115           H        GLY 115  94.914  16.015  -3.741
    2    HA2  GLY 115           HA2      GLY 115  94.814  13.214  -3.259
    3    HA3  GLY 115           HA3      GLY 115  94.093  13.589  -4.816

  No H/Q in entry =           3
  In of MODEL   14
    1    H    GLY 116           H        GLY 116  92.305  12.504  -3.393
    2    HA2  GLY 116           HA2      GLY 116  90.214  12.716  -2.435
    3    HA3  GLY 116           HA3      GLY 116  90.283  14.399  -2.911

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO 117           HA       PRO 117  90.159  14.335   1.732
    2    HB2  PRO 117           HB2      PRO 117  91.088  12.122   3.090
    3    HB3  PRO 117           HB3      PRO 117  89.406  12.369   2.616
    4    HG2  PRO 117           HG2      PRO 117  91.509  10.771   1.281
    5    HG3  PRO 117           HG3      PRO 117  89.809  10.420   1.470
    6    HD2  PRO 117           HD2      PRO 117  90.805  11.277  -0.861
    7    HD3  PRO 117           HD3      PRO 117  89.190  11.770  -0.310

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ILE 118           H        ILE 118  92.876  13.223   0.058
    2    HA   ILE 118           HA       ILE 118  94.887  13.715   2.019
    3    HB   ILE 118           HB       ILE 118  95.136  13.966  -0.991
    4   HD11  ILE 118          HD11      ILE 118  93.670  12.303  -1.483
    5   HD12  ILE 118          HD12      ILE 118  94.139  10.635  -1.262
    6   HD13  ILE 118          HD13      ILE 118  93.247  11.459  -0.006

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY 119           H        GLY 119  95.029  15.663   2.949
    2    HA2  GLY 119           HA2      GLY 119  94.643  17.923   3.260
    3    HA3  GLY 119           HA3      GLY 119  94.304  18.114   1.550

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO 120           HA       PRO 120  98.339  19.875   1.206
    2    HB2  PRO 120           HB2      PRO 120  98.745  21.695   3.244
    3    HB3  PRO 120           HB3      PRO 120  97.771  22.026   1.809
    4    HG2  PRO 120           HG2      PRO 120  96.878  21.163   4.517
    5    HG3  PRO 120           HG3      PRO 120  96.181  22.375   3.450
    6    HD2  PRO 120           HD2      PRO 120  95.111  19.933   3.708
    7    HD3  PRO 120           HD3      PRO 120  95.115  20.766   2.144

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ASN 121           H        ASN 121 100.483  19.436   1.707
    2    HA   ASN 121           HA       ASN 121 102.203  18.253   2.669
    3    HB2  ASN 121           HB2      ASN 121 101.920  20.422   4.033
    4    HB3  ASN 121           HB3      ASN 121 101.224  19.386   5.281
    5   HD21  ASN 121          HD21      ASN 121 103.010  17.087   4.518
    6   HD22  ASN 121          HD22      ASN 121 104.542  17.491   5.122

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLU 122           H        GLU 122 100.432  16.387   2.222
    2    HA   GLU 122           HA       GLU 122  99.902  14.960   4.759
    3    HB2  GLU 122           HB2      GLU 122  98.808  14.728   1.973
    4    HB3  GLU 122           HB3      GLU 122  98.586  13.431   3.146
    5    HG2  GLU 122           HG2      GLU 122  97.789  16.300   3.624
    6    HG3  GLU 122           HG3      GLU 122  96.703  15.045   3.057

  No H/Q in entry =           6
  In of MODEL   14
    1    H    THR 123           H        THR 123 101.038  13.276   5.352
    2    HA   THR 123           HA       THR 123 102.956  12.071   3.466
    3    HB   THR 123           HB       THR 123 102.602  11.718   6.456
    4    HG1  THR 123           HG1      THR 123 104.925  12.722   5.391
    5   HG21  THR 123          HG21      THR 123 104.678  10.655   4.549
    6   HG22  THR 123          HG22      THR 123 104.728  10.466   6.296
    7   HG23  THR 123          HG23      THR 123 103.460   9.694   5.354

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LEU 124           H        LEU 124 102.475  10.161   2.532
    2    HA   LEU 124           HA       LEU 124 100.085   8.693   3.522
    3    HB2  LEU 124           HB2      LEU 124 101.370   8.641   0.776
    4    HB3  LEU 124           HB3      LEU 124  99.957   7.735   1.256
    5    HG   LEU 124           HG       LEU 124  98.995   9.570   0.146
    6   HD11  LEU 124          HD11      LEU 124  98.144   9.398   2.512
    7   HD12  LEU 124          HD12      LEU 124  99.216  10.744   2.881
    8   HD13  LEU 124          HD13      LEU 124  97.925  10.960   1.722
    9   HD21  LEU 124          HD21      LEU 124 101.197  10.743  -0.095
   10   HD22  LEU 124          HD22      LEU 124  99.817  11.804   0.154
   11   HD23  LEU 124          HD23      LEU 124 100.904  11.451   1.482

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE 125           H        ILE 125 100.107   6.506   3.727
    2    HA   ILE 125           HA       ILE 125 102.703   5.098   3.610
    3    HB   ILE 125           HB       ILE 125 102.319   5.391   5.952
    4   HD11  ILE 125          HD11      ILE 125 102.088   3.891   7.711
    5   HD12  ILE 125          HD12      ILE 125 100.827   2.695   7.495
    6   HD13  ILE 125          HD13      ILE 125 102.515   2.233   7.358

  No H/Q in entry =           6
  In of MODEL   14
    1    H    PHE 126           H        PHE 126 102.592   3.000   2.834
    2    HA   PHE 126           HA       PHE 126  99.912   1.981   2.182
    3    HB2  PHE 126           HB2      PHE 126 102.166   1.622   0.235
    4    HB3  PHE 126           HB3      PHE 126 100.423   1.502  -0.041
    5    HD1  PHE 126           HD1      PHE 126  99.182   3.394  -0.760
    6    HD2  PHE 126           HD2      PHE 126 103.139   3.879   0.828
    7    HE1  PHE 126           HE1      PHE 126  99.158   5.784  -1.423
    8    HE2  PHE 126           HE2      PHE 126 103.107   6.251   0.159
    9    HZ   PHE 126           HZ       PHE 126 101.138   7.204  -0.964

  No H/Q in entry =           9
  In of MODEL   14
    1    H    LYS 127           H        LYS 127  99.734  -0.284   2.015
    2    HA   LYS 127           HA       LYS 127 101.909  -1.740   3.313
    3    HB2  LYS 127           HB2      LYS 127  99.453  -3.276   2.853
    4    HB3  LYS 127           HB3      LYS 127 100.321  -2.998   4.345
    5    HG2  LYS 127           HG2      LYS 127  98.401  -1.042   3.110
    6    HG3  LYS 127           HG3      LYS 127  97.993  -2.164   4.397
    7    HD2  LYS 127           HD2      LYS 127  99.850  -1.143   5.787
    8    HD3  LYS 127           HD3      LYS 127 100.017   0.098   4.557
    9    HE2  LYS 127           HE2      LYS 127  97.730   0.823   4.888
   10    HE3  LYS 127           HE3      LYS 127  97.438  -0.496   6.021
   11    HZ1  LYS 127           HZ1      LYS 127  99.643   1.395   6.498
   12    HZ2  LYS 127           HZ2      LYS 127  98.053   1.840   6.902
   13    HZ3  LYS 127           HZ3      LYS 127  98.764   0.473   7.618

  No H/Q in entry =          13
  In of MODEL   14
    1    H    ILE 128           H        ILE 128 103.166  -2.973   2.008
    2    HA   ILE 128           HA       ILE 128 102.003  -3.513  -0.685
    3    HB   ILE 128           HB       ILE 128 104.963  -3.274  -0.226
    4   HD11  ILE 128          HD11      ILE 128 105.037  -0.709  -2.023
    5   HD12  ILE 128          HD12      ILE 128 104.827   0.492  -0.765
    6   HD13  ILE 128          HD13      ILE 128 105.961  -0.825  -0.522

  No H/Q in entry =           6
  In of MODEL   14
    1    H    HIS 129           H        HIS 129 101.586  -5.414  -1.118
    2    HA   HIS 129           HA       HIS 129 103.052  -7.682   0.076
    3    HB2  HIS 129           HB2      HIS 129 100.678  -7.713   0.610
    4    HB3  HIS 129           HB3      HIS 129 100.265  -7.415  -1.071
    5    HD2  HIS 129           HD2      HIS 129 102.888 -10.204   0.026
    6    HE1  HIS 129           HE1      HIS 129  99.592 -12.009  -1.928
    7    HE2  HIS 129           HE2      HIS 129 101.945 -12.402  -1.083

  No H/Q in entry =           7
  In of MODEL   14
    1    H    LEU 130           H        LEU 130 104.439  -8.677  -1.332
    2    HA   LEU 130           HA       LEU 130 104.113  -8.099  -4.171
    3    HB2  LEU 130           HB2      LEU 130 106.335  -8.207  -2.563
    4    HB3  LEU 130           HB3      LEU 130 106.383  -9.745  -3.374
    5    HG   LEU 130           HG       LEU 130 106.143  -7.091  -4.749
    6   HD11  LEU 130          HD11      LEU 130 108.379  -7.422  -3.774
    7   HD12  LEU 130          HD12      LEU 130 108.494  -8.978  -4.569
    8   HD13  LEU 130          HD13      LEU 130 108.456  -7.514  -5.529
    9   HD21  LEU 130          HD21      LEU 130 105.064  -8.981  -5.982
   10   HD22  LEU 130          HD22      LEU 130 106.449  -8.341  -6.818
   11   HD23  LEU 130          HD23      LEU 130 106.603  -9.833  -5.917

  No H/Q in entry =          11
  In of MODEL   14
    1    H    ILE 131           H        ILE 131 102.868  -9.349  -5.352
    2    HA   ILE 131           HA       ILE 131 102.522 -12.175  -4.677
    3    HB   ILE 131           HB       ILE 131 101.182 -10.370  -6.710
    4   HD11  ILE 131          HD11      ILE 131 100.085  -8.810  -5.357
    5   HD12  ILE 131          HD12      ILE 131  99.464  -9.224  -3.764
    6   HD13  ILE 131          HD13      ILE 131 101.194  -9.178  -4.034

  No H/Q in entry =           6
  In of MODEL   14
    1    H    SER 132           H        SER 132 103.577 -10.189  -7.468
    2    HA   SER 132           HA       SER 132 105.316 -12.355  -8.340
    3    HB2  SER 132           HB2      SER 132 103.590 -13.077  -9.675
    4    HB3  SER 132           HB3      SER 132 102.923 -11.466  -9.815
    5    HG   SER 132           HG       SER 132 104.400 -10.957 -11.324

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL 133           H        VAL 133 106.865 -11.703  -9.974
    2    HA   VAL 133           HA       VAL 133 107.250  -8.763 -10.153
    3    HB   VAL 133           HB       VAL 133 109.382 -10.856  -9.634

  No H/Q in entry =           3
  In of MODEL   14
    1    H    LYS 134           H        LYS 134 107.861  -7.999 -12.113
    2    HA   LYS 134           HA       LYS 134 108.074  -9.883 -14.326
    3    HB2  LYS 134           HB2      LYS 134 106.676  -7.627 -14.241
    4    HB3  LYS 134           HB3      LYS 134 108.242  -6.948 -14.660
    5    HG2  LYS 134           HG2      LYS 134 107.402  -7.363 -16.791
    6    HG3  LYS 134           HG3      LYS 134 108.276  -8.864 -16.492
    7    HD2  LYS 134           HD2      LYS 134 106.083  -9.764 -15.528
    8    HD3  LYS 134           HD3      LYS 134 105.311  -8.360 -16.269
    9    HE2  LYS 134           HE2      LYS 134 106.390  -9.021 -18.450
   10    HE3  LYS 134           HE3      LYS 134 106.894 -10.522 -17.677
   11    HZ1  LYS 134           HZ1      LYS 134 104.449 -10.767 -17.067
   12    HZ2  LYS 134           HZ2      LYS 134 104.155  -9.581 -18.247
   13    HZ3  LYS 134           HZ3      LYS 134 104.885 -11.046 -18.686

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LYS 135           H        LYS 135 109.514  -7.880 -15.878
    2    HA   LYS 135           HA       LYS 135 112.031  -7.259 -14.793
    3    HB2  LYS 135           HB2      LYS 135 111.813  -9.953 -15.341
    4    HB3  LYS 135           HB3      LYS 135 112.545  -9.356 -16.810
    5    HG2  LYS 135           HG2      LYS 135 113.624  -8.636 -14.083
    6    HG3  LYS 135           HG3      LYS 135 114.101 -10.098 -14.933
    7    HD2  LYS 135           HD2      LYS 135 114.253  -7.462 -16.367
    8    HD3  LYS 135           HD3      LYS 135 115.516  -7.876 -15.216
    9    HE2  LYS 135           HE2      LYS 135 114.680  -9.707 -17.470
   10    HE3  LYS 135           HE3      LYS 135 116.001  -8.552 -17.610
   11    HZ1  LYS 135           HZ1      LYS 135 116.292  -9.997 -15.219
   12    HZ2  LYS 135           HZ2      LYS 135 116.064 -11.101 -16.485
   13    HZ3  LYS 135           HZ3      LYS 135 117.323  -9.964 -16.568

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER 136           H        SER 136 113.067  -5.856 -16.030
    2    HA   SER 136           HA       SER 136 111.792  -5.071 -18.568
    3    HB2  SER 136           HB2      SER 136 112.035  -3.222 -17.142
    4    HB3  SER 136           HB3      SER 136 113.640  -3.726 -16.616
    5    HG   SER 136           HG       SER 136 114.099  -2.225 -18.094

  No H/Q in entry =           5
  In of MODEL   14
    1    H    SER 137           H        SER 137 115.150  -5.214 -17.351
    2    HA   SER 137           HA       SER 137 116.085  -6.872 -19.467
    3    HB2  SER 137           HB2      SER 137 116.104  -5.227 -21.066
    4    HB3  SER 137           HB3      SER 137 116.079  -3.934 -19.873
    5    HG   SER 137           HG       SER 137 118.077  -4.088 -21.012

  No H/Q in entry =           5
  In of MODEL   15
    1    H1   PHE   1           H1       PHE   1  96.218  28.891   3.969
    2    H2   PHE   1           H2       PHE   1  94.683  28.857   3.249
    3    H3   PHE   1           H3       PHE   1  94.941  28.072   4.734
    4    HA   PHE   1           HA       PHE   1  94.861  26.427   3.034
    5    HB2  PHE   1           HB2      PHE   1  96.399  28.489   1.614
    6    HB3  PHE   1           HB3      PHE   1  97.165  26.910   1.466
    7    HD1  PHE   1           HD1      PHE   1  94.379  29.005   0.448
    8    HD2  PHE   1           HD2      PHE   1  95.821  24.962   0.587
    9    HE1  PHE   1           HE1      PHE   1  92.701  28.347  -1.259
   10    HE2  PHE   1           HE2      PHE   1  94.154  24.308  -1.126
   11    HZ   PHE   1           HZ       PHE   1  92.591  26.000  -2.044

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ASN   2           H        ASN   2  97.968  27.979   3.883
    2    HA   ASN   2           HA       ASN   2  99.323  25.558   4.423
    3    HB2  ASN   2           HB2      ASN   2  99.919  28.308   5.504
    4    HB3  ASN   2           HB3      ASN   2 101.025  26.936   5.490
    5   HD21  ASN   2          HD21      ASN   2 100.432  25.917   2.876
    6   HD22  ASN   2          HD22      ASN   2 100.927  27.063   1.724

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS   3           H        LYS   3  97.432  27.730   6.458
    2    HA   LYS   3           HA       LYS   3  98.080  26.869   8.977
    3    HB2  LYS   3           HB2      LYS   3  95.785  27.415   9.651
    4    HB3  LYS   3           HB3      LYS   3  96.441  28.624   8.555
    5    HG2  LYS   3           HG2      LYS   3  94.620  28.338   7.229
    6    HG3  LYS   3           HG3      LYS   3  95.191  26.720   6.855
    7    HD2  LYS   3           HD2      LYS   3  93.980  25.861   8.851
    8    HD3  LYS   3           HD3      LYS   3  93.374  27.487   9.162
    9    HE2  LYS   3           HE2      LYS   3  92.448  27.411   6.768
   10    HE3  LYS   3           HE3      LYS   3  92.789  25.683   6.821
   11    HZ1  LYS   3           HZ1      LYS   3  91.501  25.795   9.037
   12    HZ2  LYS   3           HZ2      LYS   3  90.865  27.239   8.405
   13    HZ3  LYS   3           HZ3      LYS   3  90.638  25.773   7.577

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LYS   4           H        LYS   4  96.062  25.190   6.603
    2    HA   LYS   4           HA       LYS   4  95.331  23.060   8.369
    3    HB2  LYS   4           HB2      LYS   4  94.284  23.882   6.087
    4    HB3  LYS   4           HB3      LYS   4  95.389  22.702   5.396
    5    HG2  LYS   4           HG2      LYS   4  93.388  22.102   7.584
    6    HG3  LYS   4           HG3      LYS   4  93.121  21.786   5.877
    7    HD2  LYS   4           HD2      LYS   4  95.377  20.438   6.044
    8    HD3  LYS   4           HD3      LYS   4  95.033  20.446   7.773
    9    HE2  LYS   4           HE2      LYS   4  92.663  19.615   7.093
   10    HE3  LYS   4           HE3      LYS   4  93.421  19.206   5.554
   11    HZ1  LYS   4           HZ1      LYS   4  95.131  17.987   6.907
   12    HZ2  LYS   4           HZ2      LYS   4  94.107  18.188   8.248
   13    HZ3  LYS   4           HZ3      LYS   4  93.574  17.305   6.902

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ALA   5           H        ALA   5  97.809  23.591   5.944
    2    HA   ALA   5           HA       ALA   5  98.989  21.110   5.679
    3    HB1  ALA   5           HB1      ALA   5 100.896  22.265   4.885
    4    HB2  ALA   5           HB2      ALA   5 100.540  23.676   5.858
    5    HB3  ALA   5           HB3      ALA   5  99.528  23.291   4.480

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASP   6           H        ASP   6  99.229  23.423   8.251
    2    HA   ASP   6           HA       ASP   6 101.451  22.346   9.583
    3    HB2  ASP   6           HB2      ASP   6  99.082  23.903  10.504
    4    HB3  ASP   6           HB3      ASP   6 100.364  23.416  11.601

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLU   7           H        GLU   7  97.977  21.582   9.732
    2    HA   GLU   7           HA       GLU   7  98.099  19.778  11.905
    3    HB2  GLU   7           HB2      GLU   7  96.230  19.478   9.600
    4    HB3  GLU   7           HB3      GLU   7  95.948  19.081  11.291
    5    HG2  GLU   7           HG2      GLU   7  96.163  21.514  11.820
    6    HG3  GLU   7           HG3      GLU   7  96.232  21.833  10.090

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ASN   8           H        ASN   8  98.094  19.170   8.452
    2    HA   ASN   8           HA       ASN   8  98.512  16.372   8.587
    3    HB2  ASN   8           HB2      ASN   8  99.459  18.257   6.429
    4    HB3  ASN   8           HB3      ASN   8  99.078  16.553   6.269
    5   HD21  ASN   8          HD21      ASN   8  97.666  18.040   4.561
    6   HD22  ASN   8          HD22      ASN   8  96.077  18.298   5.081

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS   9           H        LYS   9 100.577  19.122   8.660
    2    HA   LYS   9           HA       LYS   9 103.083  17.809   8.390
    3    HB2  LYS   9           HB2      LYS   9 103.185  20.090   7.977
    4    HB3  LYS   9           HB3      LYS   9 102.090  20.449   9.274
    5    HG2  LYS   9           HG2      LYS   9 103.818  20.110  10.929
    6    HG3  LYS   9           HG3      LYS   9 104.936  19.596   9.667
    7    HD2  LYS   9           HD2      LYS   9 104.726  21.847   8.630
    8    HD3  LYS   9           HD3      LYS   9 103.666  22.322   9.946
    9    HE2  LYS   9           HE2      LYS   9 105.728  23.117  10.698
   10    HE3  LYS   9           HE3      LYS   9 105.623  21.554  11.498
   11    HZ1  LYS   9           HZ1      LYS   9 106.919  20.588   9.699
   12    HZ2  LYS   9           HZ2      LYS   9 107.035  22.104   8.942
   13    HZ3  LYS   9           HZ3      LYS   9 107.775  21.845  10.450

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  10           H        VAL  10 101.352  18.980  11.320
    2    HA   VAL  10           HA       VAL  10 103.351  17.985  13.069
    3    HB   VAL  10           HB       VAL  10 100.507  18.811  13.587

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  11           H        LYS  11 100.207  16.640  12.126
    2    HA   LYS  11           HA       LYS  11 100.460  14.330  13.732
    3    HB2  LYS  11           HB2      LYS  11  98.869  14.935  11.269
    4    HB3  LYS  11           HB3      LYS  11  98.828  13.360  12.029
    5    HG2  LYS  11           HG2      LYS  11  97.001  14.431  13.042
    6    HG3  LYS  11           HG3      LYS  11  98.276  14.696  14.225
    7    HD2  LYS  11           HD2      LYS  11  98.711  16.921  13.083
    8    HD3  LYS  11           HD3      LYS  11  97.238  16.646  12.155
    9    HE2  LYS  11           HE2      LYS  11  97.543  16.979  15.134
   10    HE3  LYS  11           HE3      LYS  11  96.582  17.959  14.027
   11    HZ1  LYS  11           HZ1      LYS  11  95.183  16.027  13.598
   12    HZ2  LYS  11           HZ2      LYS  11  96.091  15.108  14.701
   13    HZ3  LYS  11           HZ3      LYS  11  95.179  16.427  15.251

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLY  12           H        GLY  12 101.440  15.242  10.522
    2    HA2  GLY  12           HA2      GLY  12 102.789  14.231   8.955
    3    HA3  GLY  12           HA3      GLY  12 102.438  12.701   9.725

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  13           H        GLU  13 104.060  15.595  11.089
    2    HA   GLU  13           HA       GLU  13 106.677  14.509  10.896
    3    HB2  GLU  13           HB2      GLU  13 105.493  16.597  12.730
    4    HB3  GLU  13           HB3      GLU  13 107.176  16.097  12.858
    5    HG2  GLU  13           HG2      GLU  13 107.572  16.724  10.536
    6    HG3  GLU  13           HG3      GLU  13 105.890  17.196  10.351

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  14           H        ALA  14 104.077  14.140  13.154
    2    HA   ALA  14           HA       ALA  14 105.565  12.808  15.173
    3    HB1  ALA  14           HB1      ALA  14 103.386  14.037  15.521
    4    HB2  ALA  14           HB2      ALA  14 102.591  12.686  14.712
    5    HB3  ALA  14           HB3      ALA  14 103.455  12.423  16.227

  No H/Q in entry =           5
  In of MODEL   15
    1    H    PHE  15           H        PHE  15 103.688  11.971  12.399
    2    HA   PHE  15           HA       PHE  15 103.402   9.193  12.781
    3    HB2  PHE  15           HB2      PHE  15 102.176  10.719  11.215
    4    HB3  PHE  15           HB3      PHE  15 103.612  10.748  10.220
    5    HD1  PHE  15           HD1      PHE  15 104.153   9.006   8.770
    6    HD2  PHE  15           HD2      PHE  15 100.995   8.510  11.635
    7    HE1  PHE  15           HE1      PHE  15 103.382   6.974   7.584
    8    HE2  PHE  15           HE2      PHE  15 100.251   6.453  10.460
    9    HZ   PHE  15           HZ       PHE  15 101.453   5.702   8.438

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LEU  16           H        LEU  16 105.795  11.053  10.882
    2    HA   LEU  16           HA       LEU  16 107.288   8.681  10.231
    3    HB2  LEU  16           HB2      LEU  16 108.061  11.606  10.042
    4    HB3  LEU  16           HB3      LEU  16 109.093  10.286   9.528
    5    HG   LEU  16           HG       LEU  16 106.923   9.563   8.146
    6   HD11  LEU  16          HD11      LEU  16 106.505  12.492   8.732
    7   HD12  LEU  16          HD12      LEU  16 105.998  11.829   7.183
    8   HD13  LEU  16          HD13      LEU  16 105.329  11.182   8.685
    9   HD21  LEU  16          HD21      LEU  16 108.961  11.667   7.436
   10   HD22  LEU  16          HD22      LEU  16 108.989   9.945   7.080
   11   HD23  LEU  16          HD23      LEU  16 107.842  10.988   6.257

  No H/Q in entry =          11
  In of MODEL   15
    1    H    THR  17           H        THR  17 107.454  11.163  12.687
    2    HA   THR  17           HA       THR  17 109.929  10.397  13.790
    3    HB   THR  17           HB       THR  17 107.563  11.655  15.169
    4    HG1  THR  17           HG1      THR  17 109.944  12.890  14.341
    5   HG21  THR  17          HG21      THR  17 110.415  11.184  15.984
    6   HG22  THR  17          HG22      THR  17 109.417  12.445  16.709
    7   HG23  THR  17          HG23      THR  17 108.941  10.757  16.857

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  18           H        GLU  18 106.618   9.371  14.420
    2    HA   GLU  18           HA       GLU  18 107.337   7.582  16.484
    3    HB2  GLU  18           HB2      GLU  18 105.123   8.612  16.422
    4    HB3  GLU  18           HB3      GLU  18 104.792   7.786  14.905
    5    HG2  GLU  18           HG2      GLU  18 105.000   5.606  16.021
    6    HG3  GLU  18           HG3      GLU  18 105.391   6.413  17.539

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ASN  19           H        ASN  19 106.437   7.150  13.065
    2    HA   ASN  19           HA       ASN  19 106.464   4.341  13.101
    3    HB2  ASN  19           HB2      ASN  19 105.505   5.628  11.266
    4    HB3  ASN  19           HB3      ASN  19 107.111   6.178  10.804
    5   HD21  ASN  19          HD21      ASN  19 107.695   5.054   8.995
    6   HD22  ASN  19          HD22      ASN  19 107.497   3.388   8.762

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  20           H        LYS  20 109.124   6.556  12.323
    2    HA   LYS  20           HA       LYS  20 110.934   4.544  11.553
    3    HB2  LYS  20           HB2      LYS  20 112.723   6.135  12.062
    4    HB3  LYS  20           HB3      LYS  20 111.418   6.936  11.194
    5    HG2  LYS  20           HG2      LYS  20 110.494   7.557  13.507
    6    HG3  LYS  20           HG3      LYS  20 112.043   7.024  14.149
    7    HD2  LYS  20           HD2      LYS  20 111.726   9.152  12.013
    8    HD3  LYS  20           HD3      LYS  20 111.979   9.482  13.728
    9    HE2  LYS  20           HE2      LYS  20 114.081   8.003  13.514
   10    HE3  LYS  20           HE3      LYS  20 113.870   8.211  11.777
   11    HZ1  LYS  20           HZ1      LYS  20 114.017  10.452  13.707
   12    HZ2  LYS  20           HZ2      LYS  20 115.336   9.895  12.792
   13    HZ3  LYS  20           HZ3      LYS  20 113.986  10.562  12.012

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ASN  21           H        ASN  21 109.867   5.677  14.668
    2    HA   ASN  21           HA       ASN  21 111.917   4.281  16.158
    3    HB2  ASN  21           HB2      ASN  21 109.503   5.908  16.864
    4    HB3  ASN  21           HB3      ASN  21 110.292   4.933  18.097
    5   HD21  ASN  21          HD21      ASN  21 110.718   7.704  15.933
    6   HD22  ASN  21          HD22      ASN  21 112.117   8.301  16.684

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  22           H        LYS  22 108.657   3.614  15.091
    2    HA   LYS  22           HA       LYS  22 108.010   1.612  16.878
    3    HB2  LYS  22           HB2      LYS  22 107.230   2.182  14.070
    4    HB3  LYS  22           HB3      LYS  22 106.593   0.763  14.873
    5    HG2  LYS  22           HG2      LYS  22 106.074   2.693  16.773
    6    HG3  LYS  22           HG3      LYS  22 105.968   3.646  15.302
    7    HD2  LYS  22           HD2      LYS  22 104.461   1.049  15.708
    8    HD3  LYS  22           HD3      LYS  22 103.775   2.639  16.031
    9    HE2  LYS  22           HE2      LYS  22 103.812   3.254  13.771
   10    HE3  LYS  22           HE3      LYS  22 105.027   2.045  13.364
   11    HZ1  LYS  22           HZ1      LYS  22 102.277   1.396  14.255
   12    HZ2  LYS  22           HZ2      LYS  22 102.754   1.467  12.626
   13    HZ3  LYS  22           HZ3      LYS  22 103.441   0.311  13.661

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  23           HA       PRO  23 110.929  -1.657  15.870
    2    HB2  PRO  23           HB2      PRO  23 108.734  -3.571  16.524
    3    HB3  PRO  23           HB3      PRO  23 110.383  -3.478  17.173
    4    HG2  PRO  23           HG2      PRO  23 108.269  -2.681  18.605
    5    HG3  PRO  23           HG3      PRO  23 109.838  -1.858  18.700
    6    HD2  PRO  23           HD2      PRO  23 107.328  -0.962  17.329
    7    HD3  PRO  23           HD3      PRO  23 108.586  -0.015  18.155

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  24           H        GLY  24 111.377  -3.025  14.185
    2    HA2  GLY  24           HA2      GLY  24 109.320  -3.936  12.353
    3    HA3  GLY  24           HA3      GLY  24 111.033  -4.331  12.283

  No H/Q in entry =           3
  In of MODEL   15
    1    H    VAL  25           H        VAL  25 110.182  -1.016  12.662
    2    HA   VAL  25           HA       VAL  25 110.180  -0.482   9.792
    3    HB   VAL  25           HB       VAL  25 110.129   1.448  12.123

  No H/Q in entry =           3
  In of MODEL   15
    1    H    VAL  26           H        VAL  26 111.853   0.285   8.668
    2    HA   VAL  26           HA       VAL  26 114.354   1.061  10.094
    3    HB   VAL  26           HB       VAL  26 114.046  -0.343   7.429

  No H/Q in entry =           3
  In of MODEL   15
    1    H    VAL  27           H        VAL  27 114.802   3.172   9.820
    2    HA   VAL  27           HA       VAL  27 113.457   4.598   7.666
    3    HB   VAL  27           HB       VAL  27 113.180   5.551   9.887

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  28           H        LEU  28 114.368   5.897   6.209
    2    HA   LEU  28           HA       LEU  28 117.248   5.405   5.727
    3    HB2  LEU  28           HB2      LEU  28 115.063   5.974   3.727
    4    HB3  LEU  28           HB3      LEU  28 116.732   5.677   3.321
    5    HG   LEU  28           HG       LEU  28 114.976   3.689   4.763
    6   HD11  LEU  28          HD11      LEU  28 114.319   4.265   2.366
    7   HD12  LEU  28          HD12      LEU  28 115.876   3.632   1.879
    8   HD13  LEU  28          HD13      LEU  28 114.702   2.582   2.654
    9   HD21  LEU  28          HD21      LEU  28 117.764   3.592   3.569
   10   HD22  LEU  28          HD22      LEU  28 117.294   3.249   5.234
   11   HD23  LEU  28          HD23      LEU  28 116.831   2.145   3.947

  No H/Q in entry =          11
  In of MODEL   15
    1    HA   PRO  29           HA       PRO  29 118.134   9.676   5.846
    2    HB2  PRO  29           HB2      PRO  29 119.346   9.606   3.138
    3    HB3  PRO  29           HB3      PRO  29 120.074  10.097   4.676
    4    HG2  PRO  29           HG2      PRO  29 120.710   7.787   3.556
    5    HG3  PRO  29           HG3      PRO  29 120.512   7.913   5.316
    6    HD2  PRO  29           HD2      PRO  29 118.618   6.798   3.286
    7    HD3  PRO  29           HD3      PRO  29 119.025   6.174   4.893

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  30           H        SER  30 116.706   8.471   2.896
    2    HA   SER  30           HA       SER  30 115.814  10.957   1.841
    3    HB2  SER  30           HB2      SER  30 114.384   8.342   1.394
    4    HB3  SER  30           HB3      SER  30 114.625   9.679   0.269
    5    HG   SER  30           HG       SER  30 116.984   9.101   0.675

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  31           H        GLY  31 114.878   9.086   4.482
    2    HA2  GLY  31           HA2      GLY  31 112.535  10.789   4.960
    3    HA3  GLY  31           HA3      GLY  31 113.362   9.794   6.155

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU  32           H        LEU  32 113.170   7.967   3.443
    2    HA   LEU  32           HA       LEU  32 110.438   7.109   3.709
    3    HB2  LEU  32           HB2      LEU  32 111.635   7.069   1.520
    4    HB3  LEU  32           HB3      LEU  32 112.716   5.855   2.144
    5    HG   LEU  32           HG       LEU  32 110.746   5.106   0.650
    6   HD11  LEU  32          HD11      LEU  32 112.164   3.581   1.958
    7   HD12  LEU  32          HD12      LEU  32 111.019   3.688   3.281
    8   HD13  LEU  32          HD13      LEU  32 110.518   3.007   1.745
    9   HD21  LEU  32          HD21      LEU  32 109.084   6.442   1.909
   10   HD22  LEU  32          HD22      LEU  32 108.618   4.766   1.682
   11   HD23  LEU  32          HD23      LEU  32 109.210   5.306   3.243

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLN  33           H        GLN  33 109.731   5.419   4.889
    2    HA   GLN  33           HA       GLN  33 111.723   3.801   6.362
    3    HB2  GLN  33           HB2      GLN  33 109.057   4.901   7.241
    4    HB3  GLN  33           HB3      GLN  33 110.004   3.765   8.166
    5    HG2  GLN  33           HG2      GLN  33 110.969   5.602   9.104
    6    HG3  GLN  33           HG3      GLN  33 111.833   5.725   7.603
    7   HE21  GLN  33          HE21      GLN  33 111.329   8.018   9.114
    8   HE22  GLN  33          HE22      GLN  33 110.269   8.978   8.210

  No H/Q in entry =           8
  In of MODEL   15
    1    H    TYR  34           H        TYR  34 111.410   1.621   6.411
    2    HA   TYR  34           HA       TYR  34 108.872   0.578   5.363
    3    HB2  TYR  34           HB2      TYR  34 109.975  -1.098   4.034
    4    HB3  TYR  34           HB3      TYR  34 110.457   0.501   3.493
    5    HD1  TYR  34           HD1      TYR  34 111.469  -2.385   5.566
    6    HD2  TYR  34           HD2      TYR  34 112.749   1.188   3.574
    7    HE1  TYR  34           HE1      TYR  34 113.844  -3.023   5.955
    8    HE2  TYR  34           HE2      TYR  34 115.114   0.558   3.954
    9    HH   TYR  34           HH       TYR  34 115.976  -2.535   5.482

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS  35           H        LYS  35 108.192  -1.317   6.064
    2    HA   LYS  35           HA       LYS  35 109.708  -2.587   8.226
    3    HB2  LYS  35           HB2      LYS  35 108.023  -1.071   9.162
    4    HB3  LYS  35           HB3      LYS  35 106.763  -1.927   8.305
    5    HG2  LYS  35           HG2      LYS  35 108.510  -3.677   9.861
    6    HG3  LYS  35           HG3      LYS  35 107.693  -2.505  10.865
    7    HD2  LYS  35           HD2      LYS  35 105.541  -3.197   9.951
    8    HD3  LYS  35           HD3      LYS  35 106.348  -4.346   8.886
    9    HE2  LYS  35           HE2      LYS  35 105.515  -5.513  10.867
   10    HE3  LYS  35           HE3      LYS  35 107.271  -5.499  10.870
   11    HZ1  LYS  35           HZ1      LYS  35 106.754  -3.249  12.184
   12    HZ2  LYS  35           HZ2      LYS  35 105.402  -4.162  12.641
   13    HZ3  LYS  35           HZ3      LYS  35 106.965  -4.748  12.951

  No H/Q in entry =          13
  In of MODEL   15
    1    H    VAL  36           H        VAL  36 109.652  -4.706   8.218
    2    HA   VAL  36           HA       VAL  36 108.266  -5.986   5.977
    3    HB   VAL  36           HB       VAL  36 110.597  -6.472   6.153

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ILE  37           H        ILE  37 106.253  -6.472   6.356
    2    HA   ILE  37           HA       ILE  37 105.216  -7.224   8.911
    3    HB   ILE  37           HB       ILE  37 103.941  -7.814   6.232
    4   HD11  ILE  37          HD11      ILE  37 104.290  -5.345   8.882
    5   HD12  ILE  37          HD12      ILE  37 104.229  -3.927   7.877
    6   HD13  ILE  37          HD13      ILE  37 102.747  -4.757   8.328

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ASN  38           H        ASN  38 106.152  -8.867   6.001
    2    HA   ASN  38           HA       ASN  38 106.407 -11.418   7.433
    3    HB2  ASN  38           HB2      ASN  38 104.860 -10.935   4.902
    4    HB3  ASN  38           HB3      ASN  38 105.323 -12.518   5.453
    5   HD21  ASN  38          HD21      ASN  38 103.116  -9.844   6.033
    6   HD22  ASN  38          HD22      ASN  38 102.199 -10.621   7.229

  No H/Q in entry =           6
  In of MODEL   15
    1    H    SER  39           H        SER  39 108.405 -12.208   6.982
    2    HA   SER  39           HA       SER  39 109.886 -11.090   4.726
    3    HB2  SER  39           HB2      SER  39 111.795 -11.759   5.780
    4    HB3  SER  39           HB3      SER  39 110.741 -11.641   7.191
    5    HG   SER  39           HG       SER  39 111.262 -13.977   5.651

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  40           H        GLY  40 110.046 -12.036   2.864
    2    HA2  GLY  40           HA2      GLY  40 109.023 -13.626   1.343
    3    HA3  GLY  40           HA3      GLY  40 109.262 -14.861   2.569

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASN  41           H        ASN  41 111.594 -12.370   1.745
    2    HA   ASN  41           HA       ASN  41 113.723 -12.459   0.904
    3    HB2  ASN  41           HB2      ASN  41 113.498 -15.290   1.916
    4    HB3  ASN  41           HB3      ASN  41 114.999 -14.506   1.436
    5   HD21  ASN  41          HD21      ASN  41 112.812 -12.253   2.822
    6   HD22  ASN  41          HD22      ASN  41 113.468 -12.245   4.391

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  42           H        GLY  42 111.487 -13.035  -0.917
    2    HA2  GLY  42           HA2      GLY  42 111.017 -14.199  -2.902
    3    HA3  GLY  42           HA3      GLY  42 112.536 -15.061  -2.734

  No H/Q in entry =           3
  In of MODEL   15
    1    H    VAL  43           H        VAL  43 111.644 -13.993  -5.081
    2    HA   VAL  43           HA       VAL  43 113.864 -12.430  -5.913
    3    HB   VAL  43           HB       VAL  43 112.829 -12.453  -8.107

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  44           H        LYS  44 113.171 -10.431  -7.410
    2    HA   LYS  44           HA       LYS  44 111.061  -8.789  -6.724
    3    HB2  LYS  44           HB2      LYS  44 111.836  -7.190  -5.144
    4    HB3  LYS  44           HB3      LYS  44 112.097  -8.746  -4.448
    5    HG2  LYS  44           HG2      LYS  44 114.372  -7.515  -5.960
    6    HG3  LYS  44           HG3      LYS  44 113.977  -6.860  -4.387
    7    HD2  LYS  44           HD2      LYS  44 114.166  -9.840  -4.571
    8    HD3  LYS  44           HD3      LYS  44 115.675  -8.938  -4.677
    9    HE2  LYS  44           HE2      LYS  44 115.472  -8.130  -2.487
   10    HE3  LYS  44           HE3      LYS  44 113.719  -8.305  -2.468
   11    HZ1  LYS  44           HZ1      LYS  44 115.561 -10.615  -2.669
   12    HZ2  LYS  44           HZ2      LYS  44 115.017 -10.009  -1.183
   13    HZ3  LYS  44           HZ3      LYS  44 113.904 -10.625  -2.302

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  45           HA       PRO  45 112.696  -6.634 -10.099
    2    HB2  PRO  45           HB2      PRO  45 111.189  -4.350  -9.995
    3    HB3  PRO  45           HB3      PRO  45 110.588  -5.913 -10.507
    4    HG2  PRO  45           HG2      PRO  45 109.979  -4.414  -8.100
    5    HG3  PRO  45           HG3      PRO  45 109.221  -5.862  -8.765
    6    HD2  PRO  45           HD2      PRO  45 111.113  -5.696  -6.583
    7    HD3  PRO  45           HD3      PRO  45 110.138  -7.086  -7.141

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  46           H        GLY  46 113.539  -4.739 -11.078
    2    HA2  GLY  46           HA2      GLY  46 115.587  -3.480 -11.022
    3    HA3  GLY  46           HA3      GLY  46 115.322  -3.190  -9.307

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  47           H        LYS  47 115.711  -1.016 -10.008
    2    HA   LYS  47           HA       LYS  47 113.577   0.646  -9.877
    3    HB2  LYS  47           HB2      LYS  47 114.992   2.438 -10.567
    4    HB3  LYS  47           HB3      LYS  47 115.979   1.296  -9.663
    5    HG2  LYS  47           HG2      LYS  47 115.820   1.159 -12.687
    6    HG3  LYS  47           HG3      LYS  47 116.921   2.261 -11.889
    7    HD2  LYS  47           HD2      LYS  47 118.342   0.597 -11.246
    8    HD3  LYS  47           HD3      LYS  47 117.061  -0.491 -10.803
    9    HE2  LYS  47           HE2      LYS  47 118.146  -1.532 -12.588
   10    HE3  LYS  47           HE3      LYS  47 116.727  -0.818 -13.339
   11    HZ1  LYS  47           HZ1      LYS  47 119.080   0.875 -13.190
   12    HZ2  LYS  47           HZ2      LYS  47 119.203  -0.460 -14.234
   13    HZ3  LYS  47           HZ3      LYS  47 117.964   0.677 -14.456

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  48           H        SER  48 114.702  -1.036 -12.676
    2    HA   SER  48           HA       SER  48 112.863   0.552 -14.385
    3    HB2  SER  48           HB2      SER  48 115.227  -1.184 -15.048
    4    HB3  SER  48           HB3      SER  48 114.157  -0.495 -16.264
    5    HG   SER  48           HG       SER  48 114.748   1.464 -14.652

  No H/Q in entry =           5
  In of MODEL   15
    1    H    ASP  49           H        ASP  49 112.947  -2.366 -12.751
    2    HA   ASP  49           HA       ASP  49 111.637  -4.055 -14.723
    3    HB2  ASP  49           HB2      ASP  49 113.145  -4.822 -12.956
    4    HB3  ASP  49           HB3      ASP  49 111.998  -4.334 -11.789

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR  50           H        THR  50 109.592  -5.118 -14.093
    2    HA   THR  50           HA       THR  50 107.682  -3.202 -12.931
    3    HB   THR  50           HB       THR  50 106.966  -5.376 -14.849
    4    HG1  THR  50           HG1      THR  50 107.047  -3.838 -16.460
    5   HG21  THR  50          HG21      THR  50 105.604  -2.906 -13.835
    6   HG22  THR  50          HG22      THR  50 105.034  -3.829 -15.211
    7   HG23  THR  50          HG23      THR  50 105.105  -4.591 -13.627

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  51           H        VAL  51 106.280  -3.844 -11.449
    2    HA   VAL  51           HA       VAL  51 106.774  -6.513 -10.268
    3    HB   VAL  51           HB       VAL  51 107.777  -4.497  -9.131

  No H/Q in entry =           3
  In of MODEL   15
    1    H    THR  52           H        THR  52 105.029  -7.375  -8.909
    2    HA   THR  52           HA       THR  52 102.336  -6.284  -9.627
    3    HB   THR  52           HB       THR  52 103.156  -9.188  -9.351
    4    HG1  THR  52           HG1      THR  52 102.629  -7.501 -11.535
    5   HG21  THR  52          HG21      THR  52 100.531  -7.790  -9.644
    6   HG22  THR  52          HG22      THR  52 100.758  -9.366 -10.396
    7   HG23  THR  52          HG23      THR  52 100.963  -9.197  -8.666

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  53           H        VAL  53 101.313  -5.585  -7.778
    2    HA   VAL  53           HA       VAL  53 101.700  -7.119  -5.271
    3    HB   VAL  53           HB       VAL  53 102.329  -5.124  -4.059

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLU  54           H        GLU  54 100.314  -6.386  -3.467
    2    HA   GLU  54           HA       GLU  54  97.838  -4.952  -4.325
    3    HB2  GLU  54           HB2      GLU  54  97.756  -6.892  -2.005
    4    HB3  GLU  54           HB3      GLU  54  96.455  -6.231  -2.967
    5    HG2  GLU  54           HG2      GLU  54  96.643  -7.778  -4.611
    6    HG3  GLU  54           HG3      GLU  54  98.362  -7.957  -4.435

  No H/Q in entry =           6
  In of MODEL   15
    1    H    TYR  55           H        TYR  55  97.017  -3.446  -2.605
    2    HA   TYR  55           HA       TYR  55  98.628  -3.187  -0.226
    3    HB2  TYR  55           HB2      TYR  55  99.460  -0.919  -0.879
    4    HB3  TYR  55           HB3      TYR  55 100.134  -2.221  -1.866
    5    HD1  TYR  55           HD1      TYR  55  97.525   0.423  -1.759
    6    HD2  TYR  55           HD2      TYR  55  99.619  -2.397  -4.208
    7    HE1  TYR  55           HE1      TYR  55  96.496   1.420  -3.777
    8    HE2  TYR  55           HE2      TYR  55  98.595  -1.391  -6.213
    9    HH   TYR  55           HH       TYR  55  96.778  -0.053  -6.899

  No H/Q in entry =           9
  In of MODEL   15
    1    H    THR  56           H        THR  56  98.118  -1.301   1.085
    2    HA   THR  56           HA       THR  56  95.514  -0.088   0.520
    3    HB   THR  56           HB       THR  56  96.346  -1.393   3.036
    4    HG1  THR  56           HG1      THR  56  93.932  -1.103   1.625
    5   HG21  THR  56          HG21      THR  56  94.417   0.934   2.877
    6   HG22  THR  56          HG22      THR  56  94.645  -0.096   4.286
    7   HG23  THR  56          HG23      THR  56  95.954   0.943   3.736

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  57           H        GLY  57  95.501   2.091   0.570
    2    HA2  GLY  57           HA2      GLY  57  97.024   3.994   0.236
    3    HA3  GLY  57           HA3      GLY  57  97.978   3.397   1.590

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ARG  58           H        ARG  58  97.759   4.872   3.225
    2    HA   ARG  58           HA       ARG  58  95.145   6.109   3.620
    3    HB2  ARG  58           HB2      ARG  58  94.879   5.425   5.859
    4    HB3  ARG  58           HB3      ARG  58  95.256   3.968   4.943
    5    HG2  ARG  58           HG2      ARG  58  97.567   4.017   5.653
    6    HG3  ARG  58           HG3      ARG  58  97.358   5.566   6.457
    7    HD2  ARG  58           HD2      ARG  58  97.164   4.171   8.264
    8    HD3  ARG  58           HD3      ARG  58  95.477   4.243   7.781
    9    HE   ARG  58           HE       ARG  58  96.201   2.133   6.378
   10   HH11  ARG  58          HH11      ARG  58  97.160   3.002   9.608
   11   HH12  ARG  58          HH12      ARG  58  97.378   1.362  10.112
   12   HH21  ARG  58          HH21      ARG  58  96.521   0.012   7.040
   13   HH22  ARG  58          HH22      ARG  58  97.039  -0.331   8.656

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  59           H        LEU  59  95.145   7.651   5.395
    2    HA   LEU  59           HA       LEU  59  97.435   9.429   5.195
    3    HB2  LEU  59           HB2      LEU  59  94.619   9.567   6.002
    4    HB3  LEU  59           HB3      LEU  59  95.648  10.586   6.972
    5    HG   LEU  59           HG       LEU  59  96.566  11.420   4.657
    6   HD11  LEU  59          HD11      LEU  59  93.878  10.292   3.882
    7   HD12  LEU  59          HD12      LEU  59  94.838  11.364   2.900
    8   HD13  LEU  59          HD13      LEU  59  95.420   9.753   3.279
    9   HD21  LEU  59          HD21      LEU  59  95.156  12.723   6.306
   10   HD22  LEU  59          HD22      LEU  59  94.951  13.185   4.623
   11   HD23  LEU  59          HD23      LEU  59  93.745  12.194   5.412

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE  60           H        ILE  60  98.218  10.477   7.175
    2    HA   ILE  60           HA       ILE  60  99.362   8.665   8.974
    3    HB   ILE  60           HB       ILE  60 100.137  10.557  10.179
    4   HD11  ILE  60          HD11      ILE  60  98.701  12.777   7.553
    5   HD12  ILE  60          HD12      ILE  60  97.307  11.797   7.994
    6   HD13  ILE  60          HD13      ILE  60  97.431  13.429   8.591

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ASP  61           H        ASP  61  96.353  10.295   8.992
    2    HA   ASP  61           HA       ASP  61  95.847   9.659  11.814
    3    HB2  ASP  61           HB2      ASP  61  95.412  11.957  10.743
    4    HB3  ASP  61           HB3      ASP  61  93.998  11.202  10.007

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLY  62           H        GLY  62  95.639   7.897   9.147
    2    HA2  GLY  62           HA2      GLY  62  93.343   6.410  10.202
    3    HA3  GLY  62           HA3      GLY  62  94.497   5.854   9.014

  No H/Q in entry =           3
  In of MODEL   15
    1    H    THR  63           H        THR  63  93.393   8.922   8.063
    2    HA   THR  63           HA       THR  63  90.888   8.175   6.891
    3    HB   THR  63           HB       THR  63  92.719  10.294   5.786
    4    HG1  THR  63           HG1      THR  63  92.415  10.506   8.075
    5   HG21  THR  63          HG21      THR  63  90.578   9.527   4.610
    6   HG22  THR  63          HG22      THR  63  89.735  10.260   5.962
    7   HG23  THR  63          HG23      THR  63  90.751  11.254   4.927

  No H/Q in entry =           7
  In of MODEL   15
    1    H    VAL  64           H        VAL  64  90.896   6.352   5.665
    2    HA   VAL  64           HA       VAL  64  93.044   5.745   3.880
    3    HB   VAL  64           HB       VAL  64  90.337   4.467   4.206

  No H/Q in entry =           3
  In of MODEL   15
    1    H    PHE  65           H        PHE  65  93.443   6.617   2.054
    2    HA   PHE  65           HA       PHE  65  91.205   7.841   0.569
    3    HB2  PHE  65           HB2      PHE  65  92.757   9.244  -0.484
    4    HB3  PHE  65           HB3      PHE  65  93.097   9.274   1.239
    5    HD1  PHE  65           HD1      PHE  65  94.950   7.798   2.121
    6    HD2  PHE  65           HD2      PHE  65  94.462   8.683  -2.040
    7    HE1  PHE  65           HE1      PHE  65  97.339   7.242   1.731
    8    HE2  PHE  65           HE2      PHE  65  96.845   8.118  -2.439
    9    HZ   PHE  65           HZ       PHE  65  98.280   7.415  -0.544

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP  66           H        ASP  66  93.312   5.184   0.468
    2    HA   ASP  66           HA       ASP  66  92.093   4.336  -1.981
    3    HB2  ASP  66           HB2      ASP  66  94.551   5.745  -2.221
    4    HB3  ASP  66           HB3      ASP  66  94.942   4.056  -2.506

  No H/Q in entry =           4
  In of MODEL   15
    1    H    SER  67           H        SER  67  92.485   2.128  -2.480
    2    HA   SER  67           HA       SER  67  94.099   0.559  -0.696
    3    HB2  SER  67           HB2      SER  67  92.372  -0.705   0.350
    4    HB3  SER  67           HB3      SER  67  92.004   0.997   0.611
    5    HG   SER  67           HG       SER  67  90.996  -0.418  -1.617

  No H/Q in entry =           5
  In of MODEL   15
    1    H    THR  68           H        THR  68  94.166  -1.687  -1.183
    2    HA   THR  68           HA       THR  68  92.922  -2.583  -3.664
    3    HB   THR  68           HB       THR  68  95.936  -2.413  -3.412
    4    HG1  THR  68           HG1      THR  68  95.583  -1.123  -5.360
    5   HG21  THR  68          HG21      THR  68  94.108  -3.609  -5.494
    6   HG22  THR  68          HG22      THR  68  95.819  -3.289  -5.771
    7   HG23  THR  68          HG23      THR  68  95.330  -4.441  -4.537

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  69           H        GLU  69  95.297  -3.202  -1.104
    2    HA   GLU  69           HA       GLU  69  95.287  -6.008  -1.318
    3    HB2  GLU  69           HB2      GLU  69  96.177  -6.027   0.951
    4    HB3  GLU  69           HB3      GLU  69  97.007  -4.898  -0.104
    5    HG2  GLU  69           HG2      GLU  69  96.751  -3.567   1.740
    6    HG3  GLU  69           HG3      GLU  69  95.323  -3.176   0.809

  No H/Q in entry =           6
  In of MODEL   15
    1    H    LYS  70           H        LYS  70  93.079  -3.758   0.103
    2    HA   LYS  70           HA       LYS  70  91.720  -5.464   1.828
    3    HB2  LYS  70           HB2      LYS  70  90.657  -3.207   0.135
    4    HB3  LYS  70           HB3      LYS  70  89.782  -3.942   1.481
    5    HG2  LYS  70           HG2      LYS  70  92.527  -2.728   1.713
    6    HG3  LYS  70           HG3      LYS  70  91.055  -1.824   2.057
    7    HD2  LYS  70           HD2      LYS  70  90.505  -3.773   3.699
    8    HD3  LYS  70           HD3      LYS  70  92.210  -4.190   3.548
    9    HE2  LYS  70           HE2      LYS  70  92.776  -1.838   4.160
   10    HE3  LYS  70           HE3      LYS  70  91.073  -1.573   4.536
   11    HZ1  LYS  70           HZ1      LYS  70  91.597  -3.860   5.843
   12    HZ2  LYS  70           HZ2      LYS  70  93.082  -3.048   5.995
   13    HZ3  LYS  70           HZ3      LYS  70  91.652  -2.319   6.550

  No H/Q in entry =          13
  In of MODEL   15
    1    H    THR  71           H        THR  71  91.444  -4.823  -1.575
    2    HA   THR  71           HA       THR  71  89.409  -6.805  -2.051
    3    HB   THR  71           HB       THR  71  90.740  -6.147  -4.490
    4    HG1  THR  71           HG1      THR  71  90.191  -3.693  -3.633
    5   HG21  THR  71          HG21      THR  71  88.243  -5.045  -3.179
    6   HG22  THR  71          HG22      THR  71  88.689  -4.730  -4.855
    7   HG23  THR  71          HG23      THR  71  88.336  -6.377  -4.332

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  72           H        GLY  72  92.888  -6.515  -2.099
    2    HA2  GLY  72           HA2      GLY  72  93.236  -9.356  -1.949
    3    HA3  GLY  72           HA3      GLY  72  94.500  -8.141  -1.893

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS  73           H        LYS  73  93.235  -7.035  -4.462
    2    HA   LYS  73           HA       LYS  73  94.129  -9.087  -6.369
    3    HB2  LYS  73           HB2      LYS  73  92.405  -6.647  -6.542
    4    HB3  LYS  73           HB3      LYS  73  93.223  -7.184  -8.006
    5    HG2  LYS  73           HG2      LYS  73  91.190  -8.286  -8.156
    6    HG3  LYS  73           HG3      LYS  73  92.206  -9.525  -7.437
    7    HD2  LYS  73           HD2      LYS  73  91.383  -8.657  -5.156
    8    HD3  LYS  73           HD3      LYS  73  90.184  -7.744  -6.065
    9    HE2  LYS  73           HE2      LYS  73  89.489 -10.042  -5.157
   10    HE3  LYS  73           HE3      LYS  73  89.114  -9.696  -6.841
   11    HZ1  LYS  73           HZ1      LYS  73  91.515 -11.179  -5.912
   12    HZ2  LYS  73           HZ2      LYS  73  90.098 -11.906  -6.504
   13    HZ3  LYS  73           HZ3      LYS  73  91.035 -10.930  -7.523

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  74           HA       PRO  74  98.011  -6.879  -6.437
    2    HB2  PRO  74           HB2      PRO  74  98.590  -8.608  -8.778
    3    HB3  PRO  74           HB3      PRO  74  99.527  -8.339  -7.299
    4    HG2  PRO  74           HG2      PRO  74  98.176 -10.596  -7.670
    5    HG3  PRO  74           HG3      PRO  74  98.284  -9.834  -6.082
    6    HD2  PRO  74           HD2      PRO  74  96.025  -9.813  -8.033
    7    HD3  PRO  74           HD3      PRO  74  96.033  -9.989  -6.271

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  75           H        ALA  75  99.024  -5.337  -7.627
    2    HA   ALA  75           HA       ALA  75  97.737  -4.421 -10.137
    3    HB1  ALA  75           HB1      ALA  75  97.279  -3.019  -8.041
    4    HB2  ALA  75           HB2      ALA  75  97.976  -2.157  -9.415
    5    HB3  ALA  75           HB3      ALA  75  98.998  -2.638  -8.065

  No H/Q in entry =           5
  In of MODEL   15
    1    H    THR  76           H        THR  76  99.215  -3.650 -11.744
    2    HA   THR  76           HA       THR  76 102.018  -4.375 -11.202
    3    HB   THR  76           HB       THR  76 101.210  -5.614 -12.991
    4    HG1  THR  76           HG1      THR  76 102.206  -3.710 -14.658
    5   HG21  THR  76          HG21      THR  76 100.032  -3.017 -14.000
    6   HG22  THR  76          HG22      THR  76 100.076  -4.500 -14.950
    7   HG23  THR  76          HG23      THR  76  99.151  -4.441 -13.449

  No H/Q in entry =           7
  In of MODEL   15
    1    H    PHE  77           H        PHE  77 103.617  -3.007 -11.186
    2    HA   PHE  77           HA       PHE  77 103.285  -0.317 -12.353
    3    HB2  PHE  77           HB2      PHE  77 104.525  -0.802  -9.655
    4    HB3  PHE  77           HB3      PHE  77 104.197   0.737 -10.416
    5    HD1  PHE  77           HD1      PHE  77 103.077  -1.375  -7.982
    6    HD2  PHE  77           HD2      PHE  77 101.623   0.904 -11.284
    7    HE1  PHE  77           HE1      PHE  77 100.802  -1.409  -6.998
    8    HE2  PHE  77           HE2      PHE  77  99.352   0.931 -10.294
    9    HZ   PHE  77           HZ       PHE  77  98.935  -0.240  -8.168

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLN  78           H        GLN  78 105.168   0.625 -12.942
    2    HA   GLN  78           HA       GLN  78 107.486  -1.140 -13.131
    3    HB2  GLN  78           HB2      GLN  78 106.803   1.451 -14.466
    4    HB3  GLN  78           HB3      GLN  78 108.413   0.769 -14.528
    5    HG2  GLN  78           HG2      GLN  78 107.431  -1.318 -15.435
    6    HG3  GLN  78           HG3      GLN  78 105.875  -0.516 -15.499
    7   HE21  GLN  78          HE21      GLN  78 108.171   1.790 -16.024
    8   HE22  GLN  78          HE22      GLN  78 108.209   1.808 -17.720

  No H/Q in entry =           8
  In of MODEL   15
    1    H    VAL  79           H        VAL  79 109.115  -0.926 -11.726
    2    HA   VAL  79           HA       VAL  79 108.792   0.589  -9.453
    3    HB   VAL  79           HB       VAL  79 111.440  -0.211 -10.656

  No H/Q in entry =           3
  In of MODEL   15
    1    H    SER  80           H        SER  80 110.071   1.620 -12.575
    2    HA   SER  80           HA       SER  80 111.200   4.046 -11.538
    3    HB2  SER  80           HB2      SER  80 112.107   3.075 -13.574
    4    HB3  SER  80           HB3      SER  80 110.544   3.247 -14.363
    5    HG   SER  80           HG       SER  80 110.867   5.348 -14.546

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLN  81           H        GLN  81 108.086   3.038 -12.598
    2    HA   GLN  81           HA       GLN  81 107.167   5.818 -12.935
    3    HB2  GLN  81           HB2      GLN  81 105.745   3.206 -13.388
    4    HB3  GLN  81           HB3      GLN  81 105.120   4.788 -13.750
    5    HG2  GLN  81           HG2      GLN  81 107.526   3.486 -15.013
    6    HG3  GLN  81           HG3      GLN  81 105.942   3.830 -15.770
    7   HE21  GLN  81          HE21      GLN  81 109.050   4.976 -15.722
    8   HE22  GLN  81          HE22      GLN  81 108.743   6.617 -16.024

  No H/Q in entry =           8
  In of MODEL   15
    1    H    VAL  82           H        VAL  82 107.289   3.577 -10.365
    2    HA   VAL  82           HA       VAL  82 104.686   4.392  -9.284
    3    HB   VAL  82           HB       VAL  82 105.711   2.088  -9.197

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ILE  83           H        ILE  83 104.683   5.096  -6.815
    2    HA   ILE  83           HA       ILE  83 105.710   7.654  -6.730
    3    HB   ILE  83           HB       ILE  83 105.550   6.625  -3.982
    4   HD11  ILE  83          HD11      ILE  83 103.465   6.092  -2.888
    5   HD12  ILE  83          HD12      ILE  83 102.198   6.669  -3.978
    6   HD13  ILE  83          HD13      ILE  83 102.397   4.940  -3.684

  No H/Q in entry =           6
  In of MODEL   15
    1    HA   PRO  84           HA       PRO  84 110.113   7.393  -5.952
    2    HB2  PRO  84           HB2      PRO  84 109.694   9.153  -3.562
    3    HB3  PRO  84           HB3      PRO  84 110.826   9.359  -4.908
    4    HG2  PRO  84           HG2      PRO  84 108.624  10.829  -4.730
    5    HG3  PRO  84           HG3      PRO  84 109.198  10.241  -6.286
    6    HD2  PRO  84           HD2      PRO  84 106.942   9.275  -4.650
    7    HD3  PRO  84           HD3      PRO  84 107.074   9.339  -6.409

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  85           H        GLY  85 108.166   7.402  -2.962
    2    HA2  GLY  85           HA2      GLY  85 108.278   6.035  -1.108
    3    HA3  GLY  85           HA3      GLY  85 110.017   6.097  -1.318

  No H/Q in entry =           3
  In of MODEL   15
    1    H    TRP  86           H        TRP  86 107.443   4.803  -3.302
    2    HA   TRP  86           HA       TRP  86 107.799   2.039  -2.738
    3    HB2  TRP  86           HB2      TRP  86 106.459   3.679  -4.848
    4    HB3  TRP  86           HB3      TRP  86 106.645   1.955  -5.140
    5    HD1  TRP  86           HD1      TRP  86 105.344   4.125  -2.164
    6    HE1  TRP  86           HE1      TRP  86 103.189   3.034  -1.311
    7    HE3  TRP  86           HE3      TRP  86 105.139   0.121  -5.255
    8    HZ2  TRP  86           HZ2      TRP  86 101.599   0.754  -1.900
    9    HZ3  TRP  86           HZ3      TRP  86 103.289  -1.463  -5.100
   10    HH2  TRP  86           HH2      TRP  86 101.497  -1.171  -3.422

  No H/Q in entry =          10
  In of MODEL   15
    1    H    THR  87           H        THR  87 109.266   4.165  -5.175
    2    HA   THR  87           HA       THR  87 110.263   2.347  -6.941
    3    HB   THR  87           HB       THR  87 111.735   4.770  -5.908
    4    HG1  THR  87           HG1      THR  87 110.410   5.221  -8.136
    5   HG21  THR  87          HG21      THR  87 112.950   3.143  -7.484
    6   HG22  THR  87          HG22      THR  87 111.770   3.627  -8.680
    7   HG23  THR  87          HG23      THR  87 112.838   4.811  -8.002

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLU  88           H        GLU  88 112.019   3.537  -4.082
    2    HA   GLU  88           HA       GLU  88 114.107   1.616  -4.427
    3    HB2  GLU  88           HB2      GLU  88 113.545   3.894  -2.731
    4    HB3  GLU  88           HB3      GLU  88 114.345   2.613  -1.823
    5    HG2  GLU  88           HG2      GLU  88 116.128   2.529  -3.520
    6    HG3  GLU  88           HG3      GLU  88 115.308   3.770  -4.462

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ALA  89           H        ALA  89 111.291   1.759  -2.288
    2    HA   ALA  89           HA       ALA  89 111.933  -0.362  -0.603
    3    HB1  ALA  89           HB1      ALA  89 109.256   0.571  -1.617
    4    HB2  ALA  89           HB2      ALA  89 110.065   1.032  -0.120
    5    HB3  ALA  89           HB3      ALA  89 109.475  -0.609  -0.333

  No H/Q in entry =           5
  In of MODEL   15
    1    H    LEU  90           H        LEU  90 110.161  -0.570  -3.731
    2    HA   LEU  90           HA       LEU  90 109.463  -3.277  -3.604
    3    HB2  LEU  90           HB2      LEU  90 110.231  -1.613  -6.013
    4    HB3  LEU  90           HB3      LEU  90 109.421  -3.163  -6.084
    5    HG   LEU  90           HG       LEU  90 108.296  -0.846  -4.509
    6   HD11  LEU  90          HD11      LEU  90 107.892  -1.549  -7.409
    7   HD12  LEU  90          HD12      LEU  90 106.879  -0.422  -6.537
    8   HD13  LEU  90          HD13      LEU  90 108.585  -0.073  -6.775
    9   HD21  LEU  90          HD21      LEU  90 107.235  -3.449  -5.554
   10   HD22  LEU  90          HD22      LEU  90 107.200  -2.847  -3.913
   11   HD23  LEU  90          HD23      LEU  90 106.157  -2.143  -5.140

  No H/Q in entry =          11
  In of MODEL   15
    1    H    GLN  91           H        GLN  91 112.396  -1.733  -4.790
    2    HA   GLN  91           HA       GLN  91 113.667  -3.994  -5.825
    3    HB2  GLN  91           HB2      GLN  91 114.830  -1.438  -4.732
    4    HB3  GLN  91           HB3      GLN  91 115.687  -2.587  -5.756
    5    HG2  GLN  91           HG2      GLN  91 114.077  -2.225  -7.558
    6    HG3  GLN  91           HG3      GLN  91 113.137  -1.151  -6.518
    7   HE21  GLN  91          HE21      GLN  91 113.463   0.930  -7.253
    8   HE22  GLN  91          HE22      GLN  91 114.974   1.606  -7.630

  No H/Q in entry =           8
  In of MODEL   15
    1    H    LEU  92           H        LEU  92 113.175  -2.921  -2.612
    2    HA   LEU  92           HA       LEU  92 115.332  -4.677  -1.581
    3    HB2  LEU  92           HB2      LEU  92 113.720  -2.574  -0.119
    4    HB3  LEU  92           HB3      LEU  92 115.116  -3.449   0.506
    5    HG   LEU  92           HG       LEU  92 115.199  -1.633  -1.906
    6   HD11  LEU  92          HD11      LEU  92 115.946  -1.144   0.959
    7   HD12  LEU  92          HD12      LEU  92 116.406  -0.100  -0.387
    8   HD13  LEU  92          HD13      LEU  92 114.706  -0.317   0.017
    9   HD21  LEU  92          HD21      LEU  92 117.267  -3.149  -0.354
   10   HD22  LEU  92          HD22      LEU  92 116.989  -3.156  -2.095
   11   HD23  LEU  92          HD23      LEU  92 117.689  -1.740  -1.321

  No H/Q in entry =          11
  In of MODEL   15
    1    H    MET  93           H        MET  93 111.978  -4.509  -2.040
    2    HA   MET  93           HA       MET  93 111.313  -6.202   0.228
    3    HB2  MET  93           HB2      MET  93 109.744  -4.493  -0.432
    4    HB3  MET  93           HB3      MET  93 109.683  -5.151  -2.067
    5    HG2  MET  93           HG2      MET  93 108.539  -7.088  -1.387
    6    HG3  MET  93           HG3      MET  93 108.993  -6.885   0.307
    7    HE1  MET  93           HE1      MET  93 107.489  -5.457  -2.683
    8    HE2  MET  93           HE2      MET  93 105.816  -5.787  -2.263
    9    HE3  MET  93           HE3      MET  93 106.439  -4.145  -2.165

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   PRO  94           HA       PRO  94 112.194  -9.856  -2.476
    2    HB2  PRO  94           HB2      PRO  94 111.534 -11.361  -0.033
    3    HB3  PRO  94           HB3      PRO  94 113.002 -11.417  -1.033
    4    HG2  PRO  94           HG2      PRO  94 112.994 -10.307   1.395
    5    HG3  PRO  94           HG3      PRO  94 113.955  -9.633   0.067
    6    HD2  PRO  94           HD2      PRO  94 111.326  -8.706   1.131
    7    HD3  PRO  94           HD3      PRO  94 112.740  -7.774   0.659

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  95           H        ALA  95 110.913 -11.407  -3.498
    2    HA   ALA  95           HA       ALA  95 108.131 -10.944  -3.498
    3    HB1  ALA  95           HB1      ALA  95 107.968 -12.981  -4.891
    4    HB2  ALA  95           HB2      ALA  95 109.089 -11.767  -5.495
    5    HB3  ALA  95           HB3      ALA  95 109.708 -13.198  -4.663

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  96           H        GLY  96 106.501 -11.732  -2.464
    2    HA2  GLY  96           HA2      GLY  96 106.788 -14.192  -0.889
    3    HA3  GLY  96           HA3      GLY  96 105.289 -13.351  -1.288

  No H/Q in entry =           3
  In of MODEL   15
    1    H    SER  97           H        SER  97 107.916 -11.357  -0.399
    2    HA   SER  97           HA       SER  97 107.249 -11.317   2.430
    3    HB2  SER  97           HB2      SER  97 109.611 -11.052   1.521
    4    HB3  SER  97           HB3      SER  97 109.126  -9.462   0.951
    5    HG   SER  97           HG       SER  97 110.066  -9.837   3.223

  No H/Q in entry =           5
  In of MODEL   15
    1    H    THR  98           H        THR  98 105.876  -9.987   3.346
    2    HA   THR  98           HA       THR  98 104.661  -7.854   1.730
    3    HB   THR  98           HB       THR  98 103.666  -9.115   4.290
    4    HG1  THR  98           HG1      THR  98 102.981 -10.609   3.004
    5   HG21  THR  98          HG21      THR  98 102.483  -7.140   2.326
    6   HG22  THR  98          HG22      THR  98 101.562  -7.987   3.570
    7   HG23  THR  98          HG23      THR  98 102.852  -6.883   4.028

  No H/Q in entry =           7
  In of MODEL   15
    1    H    TRP  99           H        TRP  99 105.483  -5.917   2.052
    2    HA   TRP  99           HA       TRP  99 106.481  -5.235   4.753
    3    HB2  TRP  99           HB2      TRP  99 107.273  -4.192   2.030
    4    HB3  TRP  99           HB3      TRP  99 107.772  -3.437   3.530
    5    HD1  TRP  99           HD1      TRP  99 107.757  -7.169   3.837
    6    HE1  TRP  99           HE1      TRP  99 110.127  -8.084   3.688
    7    HE3  TRP  99           HE3      TRP  99 110.125  -2.951   2.260
    8    HZ2  TRP  99           HZ2      TRP  99 112.750  -7.120   3.002
    9    HZ3  TRP  99           HZ3      TRP  99 112.581  -2.970   1.881
   10    HH2  TRP  99           HH2      TRP  99 113.896  -5.042   2.256

  No H/Q in entry =          10
  In of MODEL   15
    1    H    GLU 100           H        GLU 100 106.421  -2.934   5.224
    2    HA   GLU 100           HA       GLU 100 104.102  -1.486   4.127
    3    HB2  GLU 100           HB2      GLU 100 104.806  -1.892   7.032
    4    HB3  GLU 100           HB3      GLU 100 103.901  -0.478   6.504
    5    HG2  GLU 100           HG2      GLU 100 102.187  -1.856   5.544
    6    HG3  GLU 100           HG3      GLU 100 103.073  -3.322   5.912

  No H/Q in entry =           6
  In of MODEL   15
    1    H    ILE 101           H        ILE 101 104.762   0.443   3.359
    2    HA   ILE 101           HA       ILE 101 107.198   1.563   4.506
    3    HB   ILE 101           HB       ILE 101 108.089   2.132   2.469
    4   HD11  ILE 101          HD11      ILE 101 108.103   2.806   0.246
    5   HD12  ILE 101          HD12      ILE 101 107.415   1.281  -0.300
    6   HD13  ILE 101          HD13      ILE 101 106.661   2.799  -0.752

  No H/Q in entry =           6
  In of MODEL   15
    1    H    TYR 102           H        TYR 102 107.185   3.544   5.139
    2    HA   TYR 102           HA       TYR 102 104.617   4.989   4.965
    3    HB2  TYR 102           HB2      TYR 102 106.935   5.366   6.866
    4    HB3  TYR 102           HB3      TYR 102 105.364   6.099   7.004
    5    HD1  TYR 102           HD1      TYR 102 106.498   2.513   6.409
    6    HD2  TYR 102           HD2      TYR 102 104.211   5.202   8.848
    7    HE1  TYR 102           HE1      TYR 102 105.711   0.625   7.707
    8    HE2  TYR 102           HE2      TYR 102 103.421   3.278  10.189
    9    HH   TYR 102           HH       TYR 102 104.170  -0.045   9.265

  No H/Q in entry =           9
  In of MODEL   15
    1    H    VAL 103           H        VAL 103 104.783   6.197   3.210
    2    HA   VAL 103           HA       VAL 103 107.290   7.290   2.387
    3    HB   VAL 103           HB       VAL 103 104.708   7.747   1.009

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO 104           HA       PRO 104 106.675  11.318   4.330
    2    HB2  PRO 104           HB2      PRO 104 108.886  11.929   2.401
    3    HB3  PRO 104           HB3      PRO 104 108.772  12.306   4.132
    4    HG2  PRO 104           HG2      PRO 104 110.340  10.330   3.221
    5    HG3  PRO 104           HG3      PRO 104 109.497  10.207   4.769
    6    HD2  PRO 104           HD2      PRO 104 108.923   8.830   2.214
    7    HD3  PRO 104           HD3      PRO 104 108.581   8.333   3.887

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER 105           H        SER 105 105.632  13.163   3.617
    2    HA   SER 105           HA       SER 105 104.050  13.017   1.380
    3    HB2  SER 105           HB2      SER 105 103.424  15.273   1.819
    4    HB3  SER 105           HB3      SER 105 103.821  14.558   3.376
    5    HG   SER 105           HG       SER 105 104.942  16.661   2.162

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY 106           H        GLY 106 107.361  14.035   1.595
    2    HA2  GLY 106           HA2      GLY 106 108.800  14.999   0.051
    3    HA3  GLY 106           HA3      GLY 106 107.404  15.465  -0.916

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LEU 107           H        LEU 107 107.919  12.217   0.206
    2    HA   LEU 107           HA       LEU 107 108.889  11.352  -2.450
    3    HB2  LEU 107           HB2      LEU 107 108.707   9.751   0.112
    4    HB3  LEU 107           HB3      LEU 107 109.534   9.287  -1.347
    5    HG   LEU 107           HG       LEU 107 110.278  11.508   0.546
    6   HD11  LEU 107          HD11      LEU 107 111.682   9.007  -0.371
    7   HD12  LEU 107          HD12      LEU 107 112.383  10.215   0.697
    8   HD13  LEU 107          HD13      LEU 107 110.980   9.287   1.216
    9   HD21  LEU 107          HD21      LEU 107 111.117  11.039  -2.284
   10   HD22  LEU 107          HD22      LEU 107 110.890  12.557  -1.429
   11   HD23  LEU 107          HD23      LEU 107 112.332  11.594  -1.142

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ALA 108           H        ALA 108 105.987  11.807  -0.995
    2    HA   ALA 108           HA       ALA 108 104.815   9.323  -2.010
    3    HB1  ALA 108           HB1      ALA 108 103.520  11.360  -0.200
    4    HB2  ALA 108           HB2      ALA 108 102.966   9.736  -0.570
    5    HB3  ALA 108           HB3      ALA 108 104.413   9.981   0.380

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR 109           H        TYR 109 102.749  12.037  -1.472
    2    HA   TYR 109           HA       TYR 109 102.398  12.246  -4.358
    3    HB2  TYR 109           HB2      TYR 109 100.475  12.370  -2.093
    4    HB3  TYR 109           HB3      TYR 109 100.045  13.056  -3.665
    5    HD1  TYR 109           HD1      TYR 109 100.220  10.052  -1.801
    6    HD2  TYR 109           HD2      TYR 109 100.628  11.592  -5.768
    7    HE1  TYR 109           HE1      TYR 109  99.961   7.807  -2.702
    8    HE2  TYR 109           HE2      TYR 109 100.439   9.334  -6.691
    9    HH   TYR 109           HH       TYR 109 100.031   6.529  -4.463

  No H/Q in entry =           9
  In of MODEL   15
    1    H    GLY 110           H        GLY 110 103.959  13.968  -2.148
    2    HA2  GLY 110           HA2      GLY 110 103.346  16.517  -3.542
    3    HA3  GLY 110           HA3      GLY 110 104.915  16.066  -2.909

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO 111           HA       PRO 111 104.122  18.181   0.862
    2    HB2  PRO 111           HB2      PRO 111 104.773  20.744   0.265
    3    HB3  PRO 111           HB3      PRO 111 105.981  19.456   0.372
    4    HG2  PRO 111           HG2      PRO 111 104.704  20.625  -2.055
    5    HG3  PRO 111           HG3      PRO 111 106.399  20.199  -1.772
    6    HD2  PRO 111           HD2      PRO 111 104.693  18.599  -3.165
    7    HD3  PRO 111           HD3      PRO 111 106.039  17.949  -2.215

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ARG 112           H        ARG 112 102.393  19.114  -1.960
    2    HA   ARG 112           HA       ARG 112 100.438  20.713  -0.421
    3    HB2  ARG 112           HB2      ARG 112 101.073  20.494  -3.359
    4    HB3  ARG 112           HB3      ARG 112  99.557  21.197  -2.800
    5    HG2  ARG 112           HG2      ARG 112 100.864  22.817  -1.422
    6    HG3  ARG 112           HG3      ARG 112 102.351  22.155  -2.106
    7    HD2  ARG 112           HD2      ARG 112 101.667  22.777  -4.348
    8    HD3  ARG 112           HD3      ARG 112 100.089  23.292  -3.760
    9    HE   ARG 112           HE       ARG 112 102.192  24.722  -2.453
   10   HH11  ARG 112          HH11      ARG 112 100.439  24.401  -5.410
   11   HH12  ARG 112          HH12      ARG 112 100.618  26.062  -5.867
   12   HH21  ARG 112          HH21      ARG 112 102.438  26.905  -3.031
   13   HH22  ARG 112          HH22      ARG 112 101.730  27.494  -4.497

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER 113           H        SER 113  98.139  20.418  -1.255
    2    HA   SER 113           HA       SER 113  97.401  17.685  -0.842
    3    HB2  SER 113           HB2      SER 113  95.547  19.834  -1.850
    4    HB3  SER 113           HB3      SER 113  95.190  18.454  -0.818
    5    HG   SER 113           HG       SER 113  95.768  19.593   0.840

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL 114           H        VAL 114  98.110  16.389  -2.523
    2    HA   VAL 114           HA       VAL 114  97.204  17.096  -5.265
    3    HB   VAL 114           HB       VAL 114  99.280  15.030  -4.549

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLY 115           H        GLY 115  95.085  16.230  -4.071
    2    HA2  GLY 115           HA2      GLY 115  94.832  13.390  -3.817
    3    HA3  GLY 115           HA3      GLY 115  94.223  13.952  -5.365

  No H/Q in entry =           3
  In of MODEL   15
    1    H    GLY 116           H        GLY 116  92.510  12.712  -3.685
    2    HA2  GLY 116           HA2      GLY 116  90.351  12.944  -2.895
    3    HA3  GLY 116           HA3      GLY 116  90.446  14.642  -3.310

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO 117           HA       PRO 117  90.209  14.352   1.341
    2    HB2  PRO 117           HB2      PRO 117  91.153  12.121   2.631
    3    HB3  PRO 117           HB3      PRO 117  89.498  12.285   2.035
    4    HG2  PRO 117           HG2      PRO 117  91.837  11.007   0.714
    5    HG3  PRO 117           HG3      PRO 117  90.196  10.390   0.882
    6    HD2  PRO 117           HD2      PRO 117  90.991  11.446  -1.403
    7    HD3  PRO 117           HD3      PRO 117  89.373  11.837  -0.772

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ILE 118           H        ILE 118  93.094  13.249  -0.199
    2    HA   ILE 118           HA       ILE 118  94.937  13.778   1.893
    3    HB   ILE 118           HB       ILE 118  95.498  14.083  -1.063
    4   HD11  ILE 118          HD11      ILE 118  93.879  12.622  -1.746
    5   HD12  ILE 118          HD12      ILE 118  95.118  11.559  -2.404
    6   HD13  ILE 118          HD13      ILE 118  93.889  10.922  -1.341

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY 119           H        GLY 119  95.090  15.692   2.823
    2    HA2  GLY 119           HA2      GLY 119  94.806  17.965   3.120
    3    HA3  GLY 119           HA3      GLY 119  94.523  18.161   1.399

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO 120           HA       PRO 120  98.624  19.816   1.191
    2    HB2  PRO 120           HB2      PRO 120  99.066  21.538   3.313
    3    HB3  PRO 120           HB3      PRO 120  98.160  21.967   1.856
    4    HG2  PRO 120           HG2      PRO 120  97.148  21.112   4.517
    5    HG3  PRO 120           HG3      PRO 120  96.515  22.330   3.420
    6    HD2  PRO 120           HD2      PRO 120  95.402  19.891   3.699
    7    HD3  PRO 120           HD3      PRO 120  95.386  20.747   2.144

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ASN 121           H        ASN 121 100.787  19.525   1.789
    2    HA   ASN 121           HA       ASN 121 102.450  18.160   2.648
    3    HB2  ASN 121           HB2      ASN 121 102.205  20.367   4.008
    4    HB3  ASN 121           HB3      ASN 121 101.605  19.323   5.294
    5   HD21  ASN 121          HD21      ASN 121 103.215  18.509   6.643
    6   HD22  ASN 121          HD22      ASN 121 104.847  18.331   6.215

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLU 122           H        GLU 122 100.497  16.425   2.280
    2    HA   GLU 122           HA       GLU 122  99.954  15.034   4.815
    3    HB2  GLU 122           HB2      GLU 122  98.880  14.818   2.025
    4    HB3  GLU 122           HB3      GLU 122  98.645  13.499   3.165
    5    HG2  GLU 122           HG2      GLU 122  97.811  16.364   3.640
    6    HG3  GLU 122           HG3      GLU 122  96.755  15.071   3.095

  No H/Q in entry =           6
  In of MODEL   15
    1    H    THR 123           H        THR 123 100.922  13.255   5.421
    2    HA   THR 123           HA       THR 123 102.905  12.011   3.621
    3    HB   THR 123           HB       THR 123 102.392  11.634   6.578
    4    HG1  THR 123           HG1      THR 123 103.927  13.050   6.863
    5   HG21  THR 123          HG21      THR 123 103.275   9.612   5.432
    6   HG22  THR 123          HG22      THR 123 104.586  10.581   4.803
    7   HG23  THR 123          HG23      THR 123 104.451  10.305   6.537

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LEU 124           H        LEU 124 102.407  10.173   2.636
    2    HA   LEU 124           HA       LEU 124  99.985   8.688   3.520
    3    HB2  LEU 124           HB2      LEU 124 101.287   8.798   0.781
    4    HB3  LEU 124           HB3      LEU 124  99.851   7.877   1.188
    5    HG   LEU 124           HG       LEU 124  98.959   9.788   0.172
    6   HD11  LEU 124          HD11      LEU 124  98.037   9.452   2.475
    7   HD12  LEU 124          HD12      LEU 124  99.106  10.744   2.994
    8   HD13  LEU 124          HD13      LEU 124  97.862  11.081   1.821
    9   HD21  LEU 124          HD21      LEU 124 101.092  10.999  -0.028
   10   HD22  LEU 124          HD22      LEU 124  99.761  12.049   0.453
   11   HD23  LEU 124          HD23      LEU 124 100.927  11.510   1.635

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE 125           H        ILE 125 100.091   6.537   3.843
    2    HA   ILE 125           HA       ILE 125 102.712   5.193   3.556
    3    HB   ILE 125           HB       ILE 125 102.328   5.314   5.897
    4   HD11  ILE 125          HD11      ILE 125 102.097   3.728   7.558
    5   HD12  ILE 125          HD12      ILE 125 101.293   2.196   7.265
    6   HD13  ILE 125          HD13      ILE 125 103.025   2.344   7.019

  No H/Q in entry =           6
  In of MODEL   15
    1    H    PHE 126           H        PHE 126 102.657   3.100   2.775
    2    HA   PHE 126           HA       PHE 126 100.032   2.051   2.023
    3    HB2  PHE 126           HB2      PHE 126 102.333   1.744   0.125
    4    HB3  PHE 126           HB3      PHE 126 100.592   1.598  -0.170
    5    HD1  PHE 126           HD1      PHE 126  99.439   3.407  -1.102
    6    HD2  PHE 126           HD2      PHE 126 103.131   4.056   0.958
    7    HE1  PHE 126           HE1      PHE 126  99.356   5.811  -1.705
    8    HE2  PHE 126           HE2      PHE 126 103.042   6.443   0.375
    9    HZ   PHE 126           HZ       PHE 126 101.175   7.330  -0.947

  No H/Q in entry =           9
  In of MODEL   15
    1    H    LYS 127           H        LYS 127  99.846  -0.142   2.025
    2    HA   LYS 127           HA       LYS 127 102.034  -1.584   3.315
    3    HB2  LYS 127           HB2      LYS 127  99.506  -3.048   2.997
    4    HB3  LYS 127           HB3      LYS 127 100.406  -2.728   4.458
    5    HG2  LYS 127           HG2      LYS 127  98.537  -0.769   3.122
    6    HG3  LYS 127           HG3      LYS 127  98.122  -1.765   4.502
    7    HD2  LYS 127           HD2      LYS 127  99.746  -0.629   5.922
    8    HD3  LYS 127           HD3      LYS 127 100.394   0.258   4.561
    9    HE2  LYS 127           HE2      LYS 127  98.271   1.432   4.279
   10    HE3  LYS 127           HE3      LYS 127  97.548   0.475   5.570
   11    HZ1  LYS 127           HZ1      LYS 127  99.739   1.445   6.762
   12    HZ2  LYS 127           HZ2      LYS 127  99.356   2.724   5.713
   13    HZ3  LYS 127           HZ3      LYS 127  98.215   2.178   6.837

  No H/Q in entry =          13
  In of MODEL   15
    1    H    ILE 128           H        ILE 128 103.278  -2.799   1.997
    2    HA   ILE 128           HA       ILE 128 102.059  -3.426  -0.650
    3    HB   ILE 128           HB       ILE 128 105.033  -3.199  -0.233
    4   HD11  ILE 128          HD11      ILE 128 105.172  -0.721  -2.050
    5   HD12  ILE 128          HD12      ILE 128 104.908   0.558  -0.878
    6   HD13  ILE 128          HD13      ILE 128 106.044  -0.726  -0.515

  No H/Q in entry =           6
  In of MODEL   15
    1    H    HIS 129           H        HIS 129 101.665  -5.352  -1.114
    2    HA   HIS 129           HA       HIS 129 103.145  -7.592   0.118
    3    HB2  HIS 129           HB2      HIS 129 100.782  -7.633   0.663
    4    HB3  HIS 129           HB3      HIS 129 100.360  -7.391  -1.031
    5    HD2  HIS 129           HD2      HIS 129 103.037 -10.097   0.135
    6    HE1  HIS 129           HE1      HIS 129  99.780 -12.027  -1.758
    7    HE2  HIS 129           HE2      HIS 129 102.111 -12.359  -0.833

  No H/Q in entry =           7
  In of MODEL   15
    1    H    LEU 130           H        LEU 130 104.522  -8.639  -1.255
    2    HA   LEU 130           HA       LEU 130 104.239  -8.102  -4.116
    3    HB2  LEU 130           HB2      LEU 130 106.441  -8.153  -2.467
    4    HB3  LEU 130           HB3      LEU 130 106.522  -9.693  -3.261
    5    HG   LEU 130           HG       LEU 130 106.274  -7.058  -4.661
    6   HD11  LEU 130          HD11      LEU 130 108.619  -8.895  -4.260
    7   HD12  LEU 130          HD12      LEU 130 108.607  -7.627  -5.465
    8   HD13  LEU 130          HD13      LEU 130 108.482  -7.222  -3.757
    9   HD21  LEU 130          HD21      LEU 130 105.237  -8.917  -5.951
   10   HD22  LEU 130          HD22      LEU 130 106.692  -8.337  -6.709
   11   HD23  LEU 130          HD23      LEU 130 106.744  -9.824  -5.795

  No H/Q in entry =          11
  In of MODEL   15
    1    H    ILE 131           H        ILE 131 103.066  -9.411  -5.311
    2    HA   ILE 131           HA       ILE 131 102.857 -12.247  -4.604
    3    HB   ILE 131           HB       ILE 131 101.319 -10.500  -6.545
    4   HD11  ILE 131          HD11      ILE 131 100.225  -8.989  -5.166
    5   HD12  ILE 131          HD12      ILE 131  99.686  -9.405  -3.543
    6   HD13  ILE 131          HD13      ILE 131 101.403  -9.266  -3.882

  No H/Q in entry =           6
  In of MODEL   15
    1    H    SER 132           H        SER 132 103.688 -10.191  -7.435
    2    HA   SER 132           HA       SER 132 105.442 -12.344  -8.389
    3    HB2  SER 132           HB2      SER 132 104.278 -12.868 -10.273
    4    HB3  SER 132           HB3      SER 132 102.910 -12.205  -9.388
    5    HG   SER 132           HG       SER 132 104.475 -11.059 -11.417

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL 133           H        VAL 133 106.967 -11.689  -9.997
    2    HA   VAL 133           HA       VAL 133 107.388  -8.760 -10.180
    3    HB   VAL 133           HB       VAL 133 109.502 -10.871  -9.668

  No H/Q in entry =           3
  In of MODEL   15
    1    H    LYS 134           H        LYS 134 108.163  -7.968 -12.083
    2    HA   LYS 134           HA       LYS 134 108.227  -9.800 -14.374
    3    HB2  LYS 134           HB2      LYS 134 106.850  -7.545 -14.051
    4    HB3  LYS 134           HB3      LYS 134 108.368  -6.859 -14.619
    5    HG2  LYS 134           HG2      LYS 134 107.296  -7.196 -16.657
    6    HG3  LYS 134           HG3      LYS 134 108.152  -8.730 -16.504
    7    HD2  LYS 134           HD2      LYS 134 106.062  -9.602 -15.316
    8    HD3  LYS 134           HD3      LYS 134 105.253  -8.151 -15.899
    9    HE2  LYS 134           HE2      LYS 134 106.451  -9.062 -18.215
   10    HE3  LYS 134           HE3      LYS 134 106.047 -10.574 -17.402
   11    HZ1  LYS 134           HZ1      LYS 134 104.043  -8.429 -17.518
   12    HZ2  LYS 134           HZ2      LYS 134 104.308  -9.393 -18.891
   13    HZ3  LYS 134           HZ3      LYS 134 103.826 -10.112 -17.434

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LYS 135           H        LYS 135 109.573  -7.867 -15.970
    2    HA   LYS 135           HA       LYS 135 112.115  -7.121 -15.051
    3    HB2  LYS 135           HB2      LYS 135 111.964  -9.850 -15.342
    4    HB3  LYS 135           HB3      LYS 135 112.615  -9.370 -16.882
    5    HG2  LYS 135           HG2      LYS 135 113.781  -8.390 -14.268
    6    HG3  LYS 135           HG3      LYS 135 114.274  -9.901 -15.032
    7    HD2  LYS 135           HD2      LYS 135 114.298  -7.343 -16.598
    8    HD3  LYS 135           HD3      LYS 135 115.636  -7.725 -15.530
    9    HE2  LYS 135           HE2      LYS 135 114.644  -9.561 -17.726
   10    HE3  LYS 135           HE3      LYS 135 115.997  -8.460 -17.898
   11    HZ1  LYS 135           HZ1      LYS 135 116.154 -10.120 -15.555
   12    HZ2  LYS 135           HZ2      LYS 135 116.152 -10.999 -17.005
   13    HZ3  LYS 135           HZ3      LYS 135 117.323  -9.797 -16.744

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER 136           H        SER 136 113.019  -5.740 -16.348
    2    HA   SER 136           HA       SER 136 111.664  -4.750 -18.606
    3    HB2  SER 136           HB2      SER 136 113.138  -3.063 -18.295
    4    HB3  SER 136           HB3      SER 136 113.967  -4.039 -17.085
    5    HG   SER 136           HG       SER 136 115.437  -3.558 -18.667

  No H/Q in entry =           5
  In of MODEL   15
    1    H    SER 137           H        SER 137 114.940  -6.180 -18.751
    2    HA   SER 137           HA       SER 137 114.493  -6.940 -21.515
    3    HB2  SER 137           HB2      SER 137 116.848  -7.190 -19.648
    4    HB3  SER 137           HB3      SER 137 116.850  -7.889 -21.264
    5    HG   SER 137           HG       SER 137 117.261  -5.352 -20.516

  No H/Q in entry =           5
  In of MODEL   16
    1    H1   PHE   1           H1       PHE   1  95.231  27.988   4.710
    2    H2   PHE   1           H2       PHE   1  95.876  29.554   4.583
    3    H3   PHE   1           H3       PHE   1  94.739  29.015   3.447
    4    HA   PHE   1           HA       PHE   1  96.219  27.836   2.271
    5    HB2  PHE   1           HB2      PHE   1  97.131  30.071   2.240
    6    HB3  PHE   1           HB3      PHE   1  97.898  29.831   3.808
    7    HD1  PHE   1           HD1      PHE   1  97.770  27.909   0.560
    8    HD2  PHE   1           HD2      PHE   1 100.216  29.616   3.656
    9    HE1  PHE   1           HE1      PHE   1  99.801  27.063  -0.574
   10    HE2  PHE   1           HE2      PHE   1 102.245  28.768   2.516
   11    HZ   PHE   1           HZ       PHE   1 102.039  27.491   0.401

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ASN   2           H        ASN   2  98.945  28.238   4.270
    2    HA   ASN   2           HA       ASN   2  99.354  25.432   4.532
    3    HB2  ASN   2           HB2      ASN   2 100.799  27.877   5.464
    4    HB3  ASN   2           HB3      ASN   2 101.255  26.313   6.128
    5   HD21  ASN   2          HD21      ASN   2 103.287  27.343   4.735
    6   HD22  ASN   2          HD22      ASN   2 103.408  26.688   3.173

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS   3           H        LYS   3  97.674  27.713   6.437
    2    HA   LYS   3           HA       LYS   3  98.028  26.938   9.031
    3    HB2  LYS   3           HB2      LYS   3  95.820  27.734   9.473
    4    HB3  LYS   3           HB3      LYS   3  96.392  28.658   8.085
    5    HG2  LYS   3           HG2      LYS   3  95.228  26.996   6.586
    6    HG3  LYS   3           HG3      LYS   3  94.552  26.245   8.027
    7    HD2  LYS   3           HD2      LYS   3  93.454  28.348   8.624
    8    HD3  LYS   3           HD3      LYS   3  94.082  29.090   7.147
    9    HE2  LYS   3           HE2      LYS   3  92.925  27.449   5.786
   10    HE3  LYS   3           HE3      LYS   3  92.415  26.573   7.232
   11    HZ1  LYS   3           HZ1      LYS   3  91.712  29.418   6.925
   12    HZ2  LYS   3           HZ2      LYS   3  90.808  28.244   6.090
   13    HZ3  LYS   3           HZ3      LYS   3  90.904  28.201   7.786

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LYS   4           H        LYS   4  96.050  25.271   6.583
    2    HA   LYS   4           HA       LYS   4  95.221  23.224   8.412
    3    HB2  LYS   4           HB2      LYS   4  94.187  24.032   6.095
    4    HB3  LYS   4           HB3      LYS   4  95.175  22.721   5.458
    5    HG2  LYS   4           HG2      LYS   4  93.123  22.482   7.672
    6    HG3  LYS   4           HG3      LYS   4  92.913  21.934   6.014
    7    HD2  LYS   4           HD2      LYS   4  94.996  20.465   6.404
    8    HD3  LYS   4           HD3      LYS   4  94.781  20.845   8.116
    9    HE2  LYS   4           HE2      LYS   4  92.348  20.084   7.826
   10    HE3  LYS   4           HE3      LYS   4  92.873  19.376   6.300
   11    HZ1  LYS   4           HZ1      LYS   4  94.409  18.811   8.739
   12    HZ2  LYS   4           HZ2      LYS   4  92.938  17.997   8.489
   13    HZ3  LYS   4           HZ3      LYS   4  94.191  17.850   7.355

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ALA   5           H        ALA   5  97.613  23.552   5.881
    2    HA   ALA   5           HA       ALA   5  98.674  21.030   5.623
    3    HB1  ALA   5           HB1      ALA   5 100.615  22.111   4.787
    4    HB2  ALA   5           HB2      ALA   5 100.315  23.545   5.746
    5    HB3  ALA   5           HB3      ALA   5  99.275  23.174   4.388

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASP   6           H        ASP   6  99.041  23.361   8.150
    2    HA   ASP   6           HA       ASP   6 101.283  22.277   9.428
    3    HB2  ASP   6           HB2      ASP   6  98.990  23.880  10.462
    4    HB3  ASP   6           HB3      ASP   6 100.381  23.427  11.435

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLU   7           H        GLU   7  97.801  21.560   9.695
    2    HA   GLU   7           HA       GLU   7  97.990  19.850  11.933
    3    HB2  GLU   7           HB2      GLU   7  96.024  19.479   9.723
    4    HB3  GLU   7           HB3      GLU   7  95.814  19.142  11.439
    5    HG2  GLU   7           HG2      GLU   7  96.076  21.604  11.857
    6    HG3  GLU   7           HG3      GLU   7  96.036  21.846  10.115

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ASN   8           H        ASN   8  97.879  19.114   8.497
    2    HA   ASN   8           HA       ASN   8  98.258  16.305   8.764
    3    HB2  ASN   8           HB2      ASN   8  99.194  17.989   6.448
    4    HB3  ASN   8           HB3      ASN   8  98.661  16.323   6.439
    5   HD21  ASN   8          HD21      ASN   8  97.399  17.808   4.644
    6   HD22  ASN   8          HD22      ASN   8  95.833  18.230   5.140

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS   9           H        LYS   9 100.304  19.042   8.537
    2    HA   LYS   9           HA       LYS   9 102.815  17.774   8.224
    3    HB2  LYS   9           HB2      LYS   9 102.605  20.046   7.657
    4    HB3  LYS   9           HB3      LYS   9 101.870  20.411   9.185
    5    HG2  LYS   9           HG2      LYS   9 103.930  20.169  10.354
    6    HG3  LYS   9           HG3      LYS   9 104.718  19.567   8.898
    7    HD2  LYS   9           HD2      LYS   9 104.247  21.760   7.800
    8    HD3  LYS   9           HD3      LYS   9 103.573  22.331   9.320
    9    HE2  LYS   9           HE2      LYS   9 105.735  21.937  10.438
   10    HE3  LYS   9           HE3      LYS   9 106.421  21.392   8.908
   11    HZ1  LYS   9           HZ1      LYS   9 105.088  23.945   8.777
   12    HZ2  LYS   9           HZ2      LYS   9 106.458  23.933   9.776
   13    HZ3  LYS   9           HZ3      LYS   9 106.592  23.470   8.147

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  10           H        VAL  10 101.191  19.034  11.202
    2    HA   VAL  10           HA       VAL  10 103.328  18.213  12.899
    3    HB   VAL  10           HB       VAL  10 100.451  18.858  13.518

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  11           H        LYS  11 100.191  16.707  12.166
    2    HA   LYS  11           HA       LYS  11 100.624  14.426  13.765
    3    HB2  LYS  11           HB2      LYS  11  98.880  14.984  11.407
    4    HB3  LYS  11           HB3      LYS  11  98.951  13.392  12.123
    5    HG2  LYS  11           HG2      LYS  11  97.146  14.345  13.268
    6    HG3  LYS  11           HG3      LYS  11  98.474  14.640  14.380
    7    HD2  LYS  11           HD2      LYS  11  98.726  16.906  13.149
    8    HD3  LYS  11           HD3      LYS  11  97.126  16.583  12.506
    9    HE2  LYS  11           HE2      LYS  11  97.975  17.130  15.324
   10    HE3  LYS  11           HE3      LYS  11  96.594  17.769  14.438
   11    HZ1  LYS  11           HZ1      LYS  11  95.668  15.465  14.483
   12    HZ2  LYS  11           HZ2      LYS  11  96.907  15.047  15.568
   13    HZ3  LYS  11           HZ3      LYS  11  95.764  16.224  15.999

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLY  12           H        GLY  12 101.453  15.350  10.532
    2    HA2  GLY  12           HA2      GLY  12 102.711  14.314   8.892
    3    HA3  GLY  12           HA3      GLY  12 102.480  12.800   9.740

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  13           H        GLU  13 103.996  15.788  10.967
    2    HA   GLU  13           HA       GLU  13 106.656  14.868  10.614
    3    HB2  GLU  13           HB2      GLU  13 105.446  16.922  12.467
    4    HB3  GLU  13           HB3      GLU  13 107.155  16.502  12.560
    5    HG2  GLU  13           HG2      GLU  13 107.479  17.121  10.234
    6    HG3  GLU  13           HG3      GLU  13 105.764  17.464  10.052

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  14           H        ALA  14 104.216  14.345  13.014
    2    HA   ALA  14           HA       ALA  14 105.926  13.131  14.935
    3    HB1  ALA  14           HB1      ALA  14 103.708  14.289  15.412
    4    HB2  ALA  14           HB2      ALA  14 102.935  12.842  14.761
    5    HB3  ALA  14           HB3      ALA  14 103.957  12.728  16.194

  No H/Q in entry =           5
  In of MODEL   16
    1    H    PHE  15           H        PHE  15 103.856  12.158  12.327
    2    HA   PHE  15           HA       PHE  15 103.632   9.403  12.787
    3    HB2  PHE  15           HB2      PHE  15 102.346  10.858  11.220
    4    HB3  PHE  15           HB3      PHE  15 103.758  10.912  10.185
    5    HD1  PHE  15           HD1      PHE  15 104.285   9.145   8.739
    6    HD2  PHE  15           HD2      PHE  15 101.218   8.674  11.697
    7    HE1  PHE  15           HE1      PHE  15 103.482   7.101   7.590
    8    HE2  PHE  15           HE2      PHE  15 100.441   6.604  10.573
    9    HZ   PHE  15           HZ       PHE  15 101.568   5.838   8.514

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LEU  16           H        LEU  16 105.954  11.215  10.803
    2    HA   LEU  16           HA       LEU  16 107.458   8.860  10.129
    3    HB2  LEU  16           HB2      LEU  16 108.111  11.803   9.941
    4    HB3  LEU  16           HB3      LEU  16 109.242  10.554   9.464
    5    HG   LEU  16           HG       LEU  16 107.116   9.688   8.049
    6   HD11  LEU  16          HD11      LEU  16 106.611  12.629   8.509
    7   HD12  LEU  16          HD12      LEU  16 106.095  11.842   7.020
    8   HD13  LEU  16          HD13      LEU  16 105.469  11.290   8.577
    9   HD21  LEU  16          HD21      LEU  16 109.141  11.806   7.369
   10   HD22  LEU  16          HD22      LEU  16 109.159  10.090   7.000
   11   HD23  LEU  16          HD23      LEU  16 108.039  11.150   6.161

  No H/Q in entry =          11
  In of MODEL   16
    1    H    THR  17           H        THR  17 107.621  11.312  12.604
    2    HA   THR  17           HA       THR  17 110.136  10.643  13.672
    3    HB   THR  17           HB       THR  17 107.718  11.706  15.117
    4    HG1  THR  17           HG1      THR  17 109.253  12.780  13.261
    5   HG21  THR  17          HG21      THR  17 110.627  11.505  15.834
    6   HG22  THR  17          HG22      THR  17 109.515  12.619  16.629
    7   HG23  THR  17          HG23      THR  17 109.236  10.885  16.725

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  18           H        GLU  18 106.880   9.510  14.374
    2    HA   GLU  18           HA       GLU  18 107.685   7.693  16.393
    3    HB2  GLU  18           HB2      GLU  18 105.494   8.767  16.434
    4    HB3  GLU  18           HB3      GLU  18 105.078   7.943  14.936
    5    HG2  GLU  18           HG2      GLU  18 105.234   5.781  16.004
    6    HG3  GLU  18           HG3      GLU  18 105.852   6.509  17.485

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ASN  19           H        ASN  19 106.645   7.341  13.022
    2    HA   ASN  19           HA       ASN  19 106.594   4.536  12.961
    3    HB2  ASN  19           HB2      ASN  19 105.682   5.984  11.196
    4    HB3  ASN  19           HB3      ASN  19 107.324   6.387  10.705
    5   HD21  ASN  19          HD21      ASN  19 107.837   5.211   8.900
    6   HD22  ASN  19          HD22      ASN  19 107.429   3.590   8.635

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  20           H        LYS  20 109.300   6.690  12.196
    2    HA   LYS  20           HA       LYS  20 111.053   4.636  11.366
    3    HB2  LYS  20           HB2      LYS  20 112.868   6.223  11.798
    4    HB3  LYS  20           HB3      LYS  20 111.532   7.015  10.972
    5    HG2  LYS  20           HG2      LYS  20 110.708   7.654  13.336
    6    HG3  LYS  20           HG3      LYS  20 112.309   7.167  13.887
    7    HD2  LYS  20           HD2      LYS  20 111.855   9.203  11.691
    8    HD3  LYS  20           HD3      LYS  20 112.123   9.627  13.379
    9    HE2  LYS  20           HE2      LYS  20 114.274   8.249  13.236
   10    HE3  LYS  20           HE3      LYS  20 114.025   8.256  11.496
   11    HZ1  LYS  20           HZ1      LYS  20 113.656  10.857  12.388
   12    HZ2  LYS  20           HZ2      LYS  20 115.087  10.290  13.109
   13    HZ3  LYS  20           HZ3      LYS  20 114.915  10.258  11.420

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ASN  21           H        ASN  21 110.044   5.750  14.491
    2    HA   ASN  21           HA       ASN  21 112.112   4.327  15.941
    3    HB2  ASN  21           HB2      ASN  21 109.771   6.035  16.671
    4    HB3  ASN  21           HB3      ASN  21 110.495   5.009  17.903
    5   HD21  ASN  21          HD21      ASN  21 110.759   8.041  16.350
    6   HD22  ASN  21          HD22      ASN  21 112.317   8.444  16.894

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  22           H        LYS  22 108.845   3.748  14.884
    2    HA   LYS  22           HA       LYS  22 108.137   1.772  16.658
    3    HB2  LYS  22           HB2      LYS  22 107.365   2.369  13.857
    4    HB3  LYS  22           HB3      LYS  22 106.701   0.953  14.646
    5    HG2  LYS  22           HG2      LYS  22 106.216   2.837  16.573
    6    HG3  LYS  22           HG3      LYS  22 106.166   3.849  15.144
    7    HD2  LYS  22           HD2      LYS  22 104.563   1.293  15.414
    8    HD3  LYS  22           HD3      LYS  22 103.936   2.887  15.828
    9    HE2  LYS  22           HE2      LYS  22 104.078   3.646  13.594
   10    HE3  LYS  22           HE3      LYS  22 105.157   2.329  13.135
   11    HZ1  LYS  22           HZ1      LYS  22 102.496   1.662  14.160
   12    HZ2  LYS  22           HZ2      LYS  22 102.624   2.238  12.567
   13    HZ3  LYS  22           HZ3      LYS  22 103.458   0.835  13.035

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  23           HA       PRO  23 110.898  -1.634  15.718
    2    HB2  PRO  23           HB2      PRO  23 108.575  -3.422  16.293
    3    HB3  PRO  23           HB3      PRO  23 110.205  -3.435  16.989
    4    HG2  PRO  23           HG2      PRO  23 108.144  -2.520  18.384
    5    HG3  PRO  23           HG3      PRO  23 109.734  -1.735  18.467
    6    HD2  PRO  23           HD2      PRO  23 107.272  -0.836  17.000
    7    HD3  PRO  23           HD3      PRO  23 108.487   0.111  17.889

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  24           H        GLY  24 111.359  -3.059  14.082
    2    HA2  GLY  24           HA2      GLY  24 109.396  -3.956  12.179
    3    HA3  GLY  24           HA3      GLY  24 111.117  -4.289  12.133

  No H/Q in entry =           3
  In of MODEL   16
    1    H    VAL  25           H        VAL  25 110.185  -1.004  12.513
    2    HA   VAL  25           HA       VAL  25 110.153  -0.445   9.654
    3    HB   VAL  25           HB       VAL  25 110.226   1.497  11.981

  No H/Q in entry =           3
  In of MODEL   16
    1    H    VAL  26           H        VAL  26 111.789   0.382   8.498
    2    HA   VAL  26           HA       VAL  26 114.361   1.006   9.871
    3    HB   VAL  26           HB       VAL  26 113.876  -0.426   7.254

  No H/Q in entry =           3
  In of MODEL   16
    1    H    VAL  27           H        VAL  27 114.807   3.127   9.621
    2    HA   VAL  27           HA       VAL  27 113.559   4.577   7.412
    3    HB   VAL  27           HB       VAL  27 113.266   5.557   9.645

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  28           H        LEU  28 114.526   5.814   5.972
    2    HA   LEU  28           HA       LEU  28 117.389   5.212   5.566
    3    HB2  LEU  28           HB2      LEU  28 115.272   5.940   3.536
    4    HB3  LEU  28           HB3      LEU  28 116.934   5.570   3.162
    5    HG   LEU  28           HG       LEU  28 115.060   3.632   4.522
    6   HD11  LEU  28          HD11      LEU  28 114.465   4.310   2.128
    7   HD12  LEU  28          HD12      LEU  28 115.991   3.583   1.650
    8   HD13  LEU  28          HD13      LEU  28 114.745   2.596   2.399
    9   HD21  LEU  28          HD21      LEU  28 117.869   3.463   3.390
   10   HD22  LEU  28          HD22      LEU  28 117.334   3.055   5.021
   11   HD23  LEU  28          HD23      LEU  28 116.877   2.036   3.663

  No H/Q in entry =          11
  In of MODEL   16
    1    HA   PRO  29           HA       PRO  29 118.444   9.447   5.718
    2    HB2  PRO  29           HB2      PRO  29 119.713   9.353   3.039
    3    HB3  PRO  29           HB3      PRO  29 120.431   9.777   4.603
    4    HG2  PRO  29           HG2      PRO  29 120.969   7.454   3.459
    5    HG3  PRO  29           HG3      PRO  29 120.720   7.557   5.214
    6    HD2  PRO  29           HD2      PRO  29 118.821   6.642   3.089
    7    HD3  PRO  29           HD3      PRO  29 119.167   5.904   4.662

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  30           H        SER  30 116.961   8.309   2.774
    2    HA   SER  30           HA       SER  30 116.212  10.831   1.709
    3    HB2  SER  30           HB2      SER  30 114.692   8.267   1.242
    4    HB3  SER  30           HB3      SER  30 114.978   9.607   0.122
    5    HG   SER  30           HG       SER  30 116.825   8.745  -0.388

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  31           H        GLY  31 115.085   8.974   4.314
    2    HA2  GLY  31           HA2      GLY  31 112.806  10.798   4.695
    3    HA3  GLY  31           HA3      GLY  31 113.577   9.834   5.947

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU  32           H        LEU  32 113.267   8.004   3.174
    2    HA   LEU  32           HA       LEU  32 110.537   7.189   3.515
    3    HB2  LEU  32           HB2      LEU  32 111.667   7.077   1.305
    4    HB3  LEU  32           HB3      LEU  32 112.791   5.901   1.940
    5    HG   LEU  32           HG       LEU  32 110.810   5.059   0.514
    6   HD11  LEU  32          HD11      LEU  32 112.288   3.630   1.894
    7   HD12  LEU  32          HD12      LEU  32 111.099   3.729   3.173
    8   HD13  LEU  32          HD13      LEU  32 110.668   3.000   1.648
    9   HD21  LEU  32          HD21      LEU  32 109.138   6.426   1.739
   10   HD22  LEU  32          HD22      LEU  32 108.694   4.739   1.584
   11   HD23  LEU  32          HD23      LEU  32 109.297   5.344   3.107

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLN  33           H        GLN  33 109.801   5.503   4.736
    2    HA   GLN  33           HA       GLN  33 111.786   3.824   6.150
    3    HB2  GLN  33           HB2      GLN  33 109.129   4.876   7.120
    4    HB3  GLN  33           HB3      GLN  33 110.148   3.756   7.990
    5    HG2  GLN  33           HG2      GLN  33 110.984   5.666   8.938
    6    HG3  GLN  33           HG3      GLN  33 111.924   5.706   7.484
    7   HE21  GLN  33          HE21      GLN  33 111.444   8.081   8.789
    8   HE22  GLN  33          HE22      GLN  33 110.407   9.009   7.824

  No H/Q in entry =           8
  In of MODEL   16
    1    H    TYR  34           H        TYR  34 111.370   1.633   6.280
    2    HA   TYR  34           HA       TYR  34 108.836   0.640   5.199
    3    HB2  TYR  34           HB2      TYR  34 109.920  -1.057   3.854
    4    HB3  TYR  34           HB3      TYR  34 110.398   0.544   3.314
    5    HD1  TYR  34           HD1      TYR  34 111.430  -2.343   5.373
    6    HD2  TYR  34           HD2      TYR  34 112.679   1.241   3.390
    7    HE1  TYR  34           HE1      TYR  34 113.807  -2.959   5.773
    8    HE2  TYR  34           HE2      TYR  34 115.047   0.640   3.790
    9    HH   TYR  34           HH       TYR  34 116.355  -1.531   4.180

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS  35           H        LYS  35 108.145  -1.283   5.886
    2    HA   LYS  35           HA       LYS  35 109.666  -2.558   8.041
    3    HB2  LYS  35           HB2      LYS  35 108.028  -0.999   8.969
    4    HB3  LYS  35           HB3      LYS  35 106.732  -1.812   8.134
    5    HG2  LYS  35           HG2      LYS  35 108.470  -3.541   9.761
    6    HG3  LYS  35           HG3      LYS  35 107.557  -2.373  10.689
    7    HD2  LYS  35           HD2      LYS  35 105.479  -3.155   9.618
    8    HD3  LYS  35           HD3      LYS  35 106.410  -4.329   8.690
    9    HE2  LYS  35           HE2      LYS  35 105.262  -5.098  10.902
   10    HE3  LYS  35           HE3      LYS  35 106.904  -5.611  10.568
   11    HZ1  LYS  35           HZ1      LYS  35 107.693  -3.784  11.935
   12    HZ2  LYS  35           HZ2      LYS  35 106.099  -3.312  12.260
   13    HZ3  LYS  35           HZ3      LYS  35 106.678  -4.810  12.819

  No H/Q in entry =          13
  In of MODEL   16
    1    H    VAL  36           H        VAL  36 109.625  -4.667   8.001
    2    HA   VAL  36           HA       VAL  36 108.166  -5.954   5.798
    3    HB   VAL  36           HB       VAL  36 110.490  -6.422   5.868

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ILE  37           H        ILE  37 106.163  -6.449   6.262
    2    HA   ILE  37           HA       ILE  37 105.225  -7.224   8.855
    3    HB   ILE  37           HB       ILE  37 103.830  -7.834   6.244
    4   HD11  ILE  37          HD11      ILE  37 104.356  -5.281   8.801
    5   HD12  ILE  37          HD12      ILE  37 104.240  -3.892   7.759
    6   HD13  ILE  37          HD13      ILE  37 102.783  -4.687   8.344

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ASN  38           H        ASN  38 106.077  -8.878   5.894
    2    HA   ASN  38           HA       ASN  38 106.360 -11.408   7.361
    3    HB2  ASN  38           HB2      ASN  38 104.619 -10.916   4.968
    4    HB3  ASN  38           HB3      ASN  38 105.127 -12.509   5.440
    5   HD21  ASN  38          HD21      ASN  38 103.158  -9.735   6.453
    6   HD22  ASN  38          HD22      ASN  38 102.311 -10.563   7.668

  No H/Q in entry =           6
  In of MODEL   16
    1    H    SER  39           H        SER  39 108.350 -12.138   6.891
    2    HA   SER  39           HA       SER  39 109.755 -11.193   4.543
    3    HB2  SER  39           HB2      SER  39 111.651 -12.200   5.424
    4    HB3  SER  39           HB3      SER  39 110.767 -11.696   6.863
    5    HG   SER  39           HG       SER  39 110.284 -13.742   7.289

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  40           H        GLY  40 109.719 -12.102   2.651
    2    HA2  GLY  40           HA2      GLY  40 108.624 -13.616   1.129
    3    HA3  GLY  40           HA3      GLY  40 108.779 -14.882   2.343

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASN  41           H        ASN  41 111.265 -12.565   1.711
    2    HA   ASN  41           HA       ASN  41 113.385 -12.704   0.862
    3    HB2  ASN  41           HB2      ASN  41 113.009 -15.551   1.791
    4    HB3  ASN  41           HB3      ASN  41 114.559 -14.826   1.360
    5   HD21  ASN  41          HD21      ASN  41 112.439 -12.518   2.754
    6   HD22  ASN  41          HD22      ASN  41 113.079 -12.554   4.329

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  42           H        GLY  42 111.166 -13.143  -1.006
    2    HA2  GLY  42           HA2      GLY  42 110.701 -14.208  -3.040
    3    HA3  GLY  42           HA3      GLY  42 112.176 -15.143  -2.878

  No H/Q in entry =           3
  In of MODEL   16
    1    H    VAL  43           H        VAL  43 111.442 -14.000  -5.201
    2    HA   VAL  43           HA       VAL  43 113.710 -12.438  -5.890
    3    HB   VAL  43           HB       VAL  43 112.765 -12.393  -8.125

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  44           H        LYS  44 113.037 -10.426  -7.389
    2    HA   LYS  44           HA       LYS  44 110.954  -8.753  -6.754
    3    HB2  LYS  44           HB2      LYS  44 111.700  -7.190  -5.131
    4    HB3  LYS  44           HB3      LYS  44 111.923  -8.753  -4.430
    5    HG2  LYS  44           HG2      LYS  44 114.257  -7.524  -5.868
    6    HG3  LYS  44           HG3      LYS  44 113.819  -6.897  -4.295
    7    HD2  LYS  44           HD2      LYS  44 114.001  -9.878  -4.528
    8    HD3  LYS  44           HD3      LYS  44 115.516  -8.982  -4.577
    9    HE2  LYS  44           HE2      LYS  44 115.202  -8.121  -2.393
   10    HE3  LYS  44           HE3      LYS  44 113.474  -8.443  -2.414
   11    HZ1  LYS  44           HZ1      LYS  44 115.462 -10.620  -2.619
   12    HZ2  LYS  44           HZ2      LYS  44 114.954 -10.025  -1.114
   13    HZ3  LYS  44           HZ3      LYS  44 113.830 -10.718  -2.180

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  45           HA       PRO  45 112.889  -6.697 -10.055
    2    HB2  PRO  45           HB2      PRO  45 111.356  -4.466 -10.235
    3    HB3  PRO  45           HB3      PRO  45 110.743  -6.088 -10.572
    4    HG2  PRO  45           HG2      PRO  45 110.240  -4.319  -8.273
    5    HG3  PRO  45           HG3      PRO  45 109.294  -5.663  -8.904
    6    HD2  PRO  45           HD2      PRO  45 111.068  -5.697  -6.658
    7    HD3  PRO  45           HD3      PRO  45 110.075  -7.035  -7.306

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  46           H        GLY  46 114.029  -4.953 -10.915
    2    HA2  GLY  46           HA2      GLY  46 115.929  -3.576 -10.652
    3    HA3  GLY  46           HA3      GLY  46 115.516  -3.365  -8.954

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  47           H        LYS  47 116.031  -1.145  -9.838
    2    HA   LYS  47           HA       LYS  47 113.805   0.453  -9.709
    3    HB2  LYS  47           HB2      LYS  47 115.189   2.299 -10.405
    4    HB3  LYS  47           HB3      LYS  47 116.147   1.239  -9.381
    5    HG2  LYS  47           HG2      LYS  47 116.192   0.987 -12.406
    6    HG3  LYS  47           HG3      LYS  47 117.229   2.121 -11.565
    7    HD2  LYS  47           HD2      LYS  47 118.696   0.474 -11.041
    8    HD3  LYS  47           HD3      LYS  47 117.450  -0.459 -10.254
    9    HE2  LYS  47           HE2      LYS  47 118.426  -1.773 -12.006
   10    HE3  LYS  47           HE3      LYS  47 116.795  -1.346 -12.502
   11    HZ1  LYS  47           HZ1      LYS  47 118.201   0.710 -13.466
   12    HZ2  LYS  47           HZ2      LYS  47 119.341  -0.537 -13.609
   13    HZ3  LYS  47           HZ3      LYS  47 117.826  -0.684 -14.361

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  48           H        SER  48 115.083  -1.259 -12.379
    2    HA   SER  48           HA       SER  48 113.348   0.236 -14.252
    3    HB2  SER  48           HB2      SER  48 115.788  -1.467 -14.640
    4    HB3  SER  48           HB3      SER  48 114.770  -0.970 -15.989
    5    HG   SER  48           HG       SER  48 116.555   0.464 -15.493

  No H/Q in entry =           5
  In of MODEL   16
    1    H    ASP  49           H        ASP  49 113.381  -2.762 -12.585
    2    HA   ASP  49           HA       ASP  49 112.008  -4.231 -14.749
    3    HB2  ASP  49           HB2      ASP  49 112.639  -4.955 -11.915
    4    HB3  ASP  49           HB3      ASP  49 111.724  -5.988 -12.979

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR  50           H        THR  50 109.829  -5.219 -14.258
    2    HA   THR  50           HA       THR  50 108.144  -3.168 -12.960
    3    HB   THR  50           HB       THR  50 107.168  -5.253 -14.881
    4    HG1  THR  50           HG1      THR  50 108.671  -4.032 -15.963
    5   HG21  THR  50          HG21      THR  50 106.071  -2.666 -13.851
    6   HG22  THR  50          HG22      THR  50 105.380  -3.550 -15.204
    7   HG23  THR  50          HG23      THR  50 105.420  -4.289 -13.604

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  51           H        VAL  51 106.512  -3.725 -11.541
    2    HA   VAL  51           HA       VAL  51 106.848  -6.391 -10.285
    3    HB   VAL  51           HB       VAL  51 107.858  -4.361  -9.126

  No H/Q in entry =           3
  In of MODEL   16
    1    H    THR  52           H        THR  52 105.030  -7.107  -8.934
    2    HA   THR  52           HA       THR  52 102.407  -5.936  -9.727
    3    HB   THR  52           HB       THR  52 103.107  -8.874  -9.548
    4    HG1  THR  52           HG1      THR  52 102.529  -7.189 -11.742
    5   HG21  THR  52          HG21      THR  52 100.556  -7.370  -9.935
    6   HG22  THR  52          HG22      THR  52 100.780  -8.933 -10.709
    7   HG23  THR  52          HG23      THR  52 100.877  -8.817  -8.968

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  53           H        VAL  53 101.392  -5.294  -7.861
    2    HA   VAL  53           HA       VAL  53 101.711  -6.928  -5.408
    3    HB   VAL  53           HB       VAL  53 102.431  -5.002  -4.136

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLU  54           H        GLU  54 100.294  -6.217  -3.597
    2    HA   GLU  54           HA       GLU  54  97.881  -4.703  -4.482
    3    HB2  GLU  54           HB2      GLU  54  97.781  -6.739  -2.238
    4    HB3  GLU  54           HB3      GLU  54  96.478  -5.973  -3.122
    5    HG2  GLU  54           HG2      GLU  54  96.566  -7.421  -4.857
    6    HG3  GLU  54           HG3      GLU  54  98.286  -7.663  -4.748

  No H/Q in entry =           6
  In of MODEL   16
    1    H    TYR  55           H        TYR  55  97.043  -3.215  -2.748
    2    HA   TYR  55           HA       TYR  55  98.634  -3.024  -0.341
    3    HB2  TYR  55           HB2      TYR  55  99.441  -0.720  -0.932
    4    HB3  TYR  55           HB3      TYR  55 100.128  -1.986  -1.953
    5    HD1  TYR  55           HD1      TYR  55  97.501   0.631  -1.791
    6    HD2  TYR  55           HD2      TYR  55  99.600  -2.133  -4.301
    7    HE1  TYR  55           HE1      TYR  55  96.425   1.644  -3.784
    8    HE2  TYR  55           HE2      TYR  55  98.548  -1.107  -6.292
    9    HH   TYR  55           HH       TYR  55  97.391   0.732  -7.035

  No H/Q in entry =           9
  In of MODEL   16
    1    H    THR  56           H        THR  56  98.053  -1.336   1.127
    2    HA   THR  56           HA       THR  56  95.459  -0.072   0.614
    3    HB   THR  56           HB       THR  56  96.274  -1.521   3.075
    4    HG1  THR  56           HG1      THR  56  94.308  -1.561   1.195
    5   HG21  THR  56          HG21      THR  56  94.250   0.728   2.940
    6   HG22  THR  56          HG22      THR  56  94.444  -0.372   4.305
    7   HG23  THR  56          HG23      THR  56  95.738   0.743   3.881

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  57           H        GLY  57  95.370   2.048   0.795
    2    HA2  GLY  57           HA2      GLY  57  96.788   4.037   0.601
    3    HA3  GLY  57           HA3      GLY  57  97.785   3.393   1.899

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ARG  58           H        ARG  58  97.581   4.817   3.552
    2    HA   ARG  58           HA       ARG  58  94.970   5.941   4.127
    3    HB2  ARG  58           HB2      ARG  58  94.728   5.112   6.280
    4    HB3  ARG  58           HB3      ARG  58  95.310   3.716   5.385
    5    HG2  ARG  58           HG2      ARG  58  97.541   3.969   6.236
    6    HG3  ARG  58           HG3      ARG  58  97.191   5.548   6.924
    7    HD2  ARG  58           HD2      ARG  58  97.110   4.132   8.767
    8    HD3  ARG  58           HD3      ARG  58  95.426   4.340   8.332
    9    HE   ARG  58           HE       ARG  58  96.395   2.070   6.979
   10   HH11  ARG  58          HH11      ARG  58  95.694   3.230  10.164
   11   HH12  ARG  58          HH12      ARG  58  95.321   1.663  10.799
   12   HH21  ARG  58          HH21      ARG  58  95.912   0.011   7.812
   13   HH22  ARG  58          HH22      ARG  58  95.436  -0.155   9.469

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  59           H        LEU  59  95.012   7.507   5.878
    2    HA   LEU  59           HA       LEU  59  97.311   9.282   5.585
    3    HB2  LEU  59           HB2      LEU  59  94.505   9.474   6.437
    4    HB3  LEU  59           HB3      LEU  59  95.566  10.546   7.308
    5    HG   LEU  59           HG       LEU  59  96.447  11.223   4.942
    6   HD11  LEU  59          HD11      LEU  59  95.276   9.396   3.761
    7   HD12  LEU  59          HD12      LEU  59  93.749  10.099   4.227
    8   HD13  LEU  59          HD13      LEU  59  94.814  10.986   3.179
    9   HD21  LEU  59          HD21      LEU  59  94.990  12.587   6.528
   10   HD22  LEU  59          HD22      LEU  59  94.902  12.994   4.820
   11   HD23  LEU  59          HD23      LEU  59  93.618  12.056   5.566

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE  60           H        ILE  60  98.245  10.329   7.387
    2    HA   ILE  60           HA       ILE  60  99.329   8.660   9.353
    3    HB   ILE  60           HB       ILE  60 100.189  10.625  10.380
    4   HD11  ILE  60          HD11      ILE  60  97.335  11.733   8.183
    5   HD12  ILE  60          HD12      ILE  60  97.461  13.403   8.678
    6   HD13  ILE  60          HD13      ILE  60  98.713  12.696   7.653

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ASP  61           H        ASP  61  96.403  10.387   9.213
    2    HA   ASP  61           HA       ASP  61  95.817  10.078  12.068
    3    HB2  ASP  61           HB2      ASP  61  95.428  12.213  10.691
    4    HB3  ASP  61           HB3      ASP  61  94.039  11.370  10.007

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLY  62           H        GLY  62  95.669   8.111   9.534
    2    HA2  GLY  62           HA2      GLY  62  93.480   6.574  10.704
    3    HA3  GLY  62           HA3      GLY  62  94.651   6.015   9.541

  No H/Q in entry =           3
  In of MODEL   16
    1    H    THR  63           H        THR  63  93.293   8.975   8.512
    2    HA   THR  63           HA       THR  63  90.833   8.071   7.463
    3    HB   THR  63           HB       THR  63  92.539  10.155   6.107
    4    HG1  THR  63           HG1      THR  63  92.319  11.355   7.793
    5   HG21  THR  63          HG21      THR  63  90.385   9.309   5.103
    6   HG22  THR  63          HG22      THR  63  89.567   9.991   6.495
    7   HG23  THR  63          HG23      THR  63  90.446  11.047   5.396

  No H/Q in entry =           7
  In of MODEL   16
    1    H    VAL  64           H        VAL  64  90.925   6.087   6.412
    2    HA   VAL  64           HA       VAL  64  92.912   5.521   4.446
    3    HB   VAL  64           HB       VAL  64  90.252   4.191   4.922

  No H/Q in entry =           3
  In of MODEL   16
    1    H    PHE  65           H        PHE  65  93.085   6.168   2.490
    2    HA   PHE  65           HA       PHE  65  90.690   7.374   1.229
    3    HB2  PHE  65           HB2      PHE  65  92.055   8.995   0.209
    4    HB3  PHE  65           HB3      PHE  65  92.452   8.940   1.920
    5    HD1  PHE  65           HD1      PHE  65  94.474   7.524   2.626
    6    HD2  PHE  65           HD2      PHE  65  93.786   8.817  -1.389
    7    HE1  PHE  65           HE1      PHE  65  96.901   7.306   2.154
    8    HE2  PHE  65           HE2      PHE  65  96.206   8.632  -1.868
    9    HZ   PHE  65           HZ       PHE  65  97.785   7.868  -0.098

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP  66           H        ASP  66  93.036   4.955   0.975
    2    HA   ASP  66           HA       ASP  66  91.845   4.112  -1.521
    3    HB2  ASP  66           HB2      ASP  66  93.639   5.608  -2.286
    4    HB3  ASP  66           HB3      ASP  66  94.810   4.623  -1.412

  No H/Q in entry =           4
  In of MODEL   16
    1    H    SER  67           H        SER  67  92.169   1.972  -2.041
    2    HA   SER  67           HA       SER  67  93.893   0.356  -0.428
    3    HB2  SER  67           HB2      SER  67  92.216  -1.015   0.602
    4    HB3  SER  67           HB3      SER  67  91.924   0.667   1.038
    5    HG   SER  67           HG       SER  67  90.112   0.609  -0.039

  No H/Q in entry =           5
  In of MODEL   16
    1    H    THR  68           H        THR  68  94.182  -1.748  -1.124
    2    HA   THR  68           HA       THR  68  92.817  -2.600  -3.585
    3    HB   THR  68           HB       THR  68  95.813  -2.220  -3.412
    4    HG1  THR  68           HG1      THR  68  94.219  -1.113  -5.398
    5   HG21  THR  68          HG21      THR  68  94.058  -3.508  -5.497
    6   HG22  THR  68          HG22      THR  68  95.675  -2.917  -5.849
    7   HG23  THR  68          HG23      THR  68  95.450  -4.201  -4.672

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  69           H        GLU  69  95.176  -3.235  -1.043
    2    HA   GLU  69           HA       GLU  69  95.333  -6.010  -1.533
    3    HB2  GLU  69           HB2      GLU  69  96.381  -6.172   0.649
    4    HB3  GLU  69           HB3      GLU  69  97.074  -4.906  -0.346
    5    HG2  GLU  69           HG2      GLU  69  96.878  -3.802   1.662
    6    HG3  GLU  69           HG3      GLU  69  95.404  -3.361   0.828

  No H/Q in entry =           6
  In of MODEL   16
    1    H    LYS  70           H        LYS  70  93.065  -4.013   0.116
    2    HA   LYS  70           HA       LYS  70  91.857  -5.939   1.731
    3    HB2  LYS  70           HB2      LYS  70  90.589  -3.602   0.320
    4    HB3  LYS  70           HB3      LYS  70  89.881  -4.473   1.683
    5    HG2  LYS  70           HG2      LYS  70  92.539  -3.055   1.709
    6    HG3  LYS  70           HG3      LYS  70  91.055  -2.384   2.382
    7    HD2  LYS  70           HD2      LYS  70  90.982  -4.507   3.856
    8    HD3  LYS  70           HD3      LYS  70  92.653  -4.764   3.351
    9    HE2  LYS  70           HE2      LYS  70  93.152  -2.423   4.101
   10    HE3  LYS  70           HE3      LYS  70  91.558  -2.390   4.856
   11    HZ1  LYS  70           HZ1      LYS  70  92.465  -4.700   5.772
   12    HZ2  LYS  70           HZ2      LYS  70  93.943  -3.881   5.606
   13    HZ3  LYS  70           HZ3      LYS  70  92.716  -3.234   6.588

  No H/Q in entry =          13
  In of MODEL   16
    1    H    THR  71           H        THR  71  91.399  -4.977  -1.592
    2    HA   THR  71           HA       THR  71  89.381  -6.939  -2.170
    3    HB   THR  71           HB       THR  71  89.970  -6.356  -4.568
    4    HG1  THR  71           HG1      THR  71  92.077  -5.371  -3.431
    5   HG21  THR  71          HG21      THR  71  88.125  -5.275  -3.353
    6   HG22  THR  71          HG22      THR  71  89.250  -4.087  -2.697
    7   HG23  THR  71          HG23      THR  71  88.925  -4.132  -4.429

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  72           H        GLY  72  92.861  -6.687  -2.292
    2    HA2  GLY  72           HA2      GLY  72  93.135  -9.547  -2.481
    3    HA3  GLY  72           HA3      GLY  72  94.430  -8.386  -2.236

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS  73           H        LYS  73  93.207  -6.901  -4.674
    2    HA   LYS  73           HA       LYS  73  94.134  -8.732  -6.788
    3    HB2  LYS  73           HB2      LYS  73  92.384  -6.310  -6.737
    4    HB3  LYS  73           HB3      LYS  73  93.212  -6.707  -8.238
    5    HG2  LYS  73           HG2      LYS  73  91.299  -7.908  -8.600
    6    HG3  LYS  73           HG3      LYS  73  92.167  -9.149  -7.711
    7    HD2  LYS  73           HD2      LYS  73  91.088  -8.162  -5.597
    8    HD3  LYS  73           HD3      LYS  73  90.044  -7.260  -6.692
    9    HE2  LYS  73           HE2      LYS  73  88.947  -9.306  -6.018
   10    HE3  LYS  73           HE3      LYS  73  89.353  -9.417  -7.730
   11    HZ1  LYS  73           HZ1      LYS  73  90.993 -10.528  -5.516
   12    HZ2  LYS  73           HZ2      LYS  73  89.924 -11.437  -6.474
   13    HZ3  LYS  73           HZ3      LYS  73  91.287 -10.712  -7.179

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  74           HA       PRO  74  97.978  -6.456  -6.624
    2    HB2  PRO  74           HB2      PRO  74  98.644  -8.128  -8.988
    3    HB3  PRO  74           HB3      PRO  74  99.539  -7.893  -7.472
    4    HG2  PRO  74           HG2      PRO  74  98.240 -10.148  -7.935
    5    HG3  PRO  74           HG3      PRO  74  98.235  -9.408  -6.330
    6    HD2  PRO  74           HD2      PRO  74  96.116  -9.332  -8.441
    7    HD3  PRO  74           HD3      PRO  74  95.997  -9.632  -6.697

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  75           H        ALA  75  99.048  -4.944  -7.766
    2    HA   ALA  75           HA       ALA  75  97.826  -3.966 -10.281
    3    HB1  ALA  75           HB1      ALA  75  97.396  -2.599  -8.138
    4    HB2  ALA  75           HB2      ALA  75  98.046  -1.744  -9.535
    5    HB3  ALA  75           HB3      ALA  75  99.112  -2.210  -8.212

  No H/Q in entry =           5
  In of MODEL   16
    1    H    THR  76           H        THR  76  99.362  -3.250 -11.848
    2    HA   THR  76           HA       THR  76 102.148  -4.027 -11.246
    3    HB   THR  76           HB       THR  76 101.285  -5.290 -13.040
    4    HG1  THR  76           HG1      THR  76 102.705  -3.226 -14.317
    5   HG21  THR  76          HG21      THR  76 100.347  -2.623 -14.098
    6   HG22  THR  76          HG22      THR  76 100.478  -4.044 -15.128
    7   HG23  THR  76          HG23      THR  76  99.375  -4.053 -13.752

  No H/Q in entry =           7
  In of MODEL   16
    1    H    PHE  77           H        PHE  77 103.819  -2.718 -11.391
    2    HA   PHE  77           HA       PHE  77 103.563  -0.126 -12.715
    3    HB2  PHE  77           HB2      PHE  77 104.614  -0.181  -9.902
    4    HB3  PHE  77           HB3      PHE  77 104.149   1.171 -10.882
    5    HD1  PHE  77           HD1      PHE  77 103.147  -0.875  -8.282
    6    HD2  PHE  77           HD2      PHE  77 101.654   1.170 -11.742
    7    HE1  PHE  77           HE1      PHE  77 100.859  -0.888  -7.299
    8    HE2  PHE  77           HE2      PHE  77  99.385   1.165 -10.778
    9    HZ   PHE  77           HZ       PHE  77  98.979   0.137  -8.553

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLN  78           H        GLN  78 105.533   0.815 -13.171
    2    HA   GLN  78           HA       GLN  78 107.808  -1.005 -13.094
    3    HB2  GLN  78           HB2      GLN  78 107.376   1.633 -14.479
    4    HB3  GLN  78           HB3      GLN  78 108.923   0.809 -14.443
    5    HG2  GLN  78           HG2      GLN  78 107.821  -1.201 -15.395
    6    HG3  GLN  78           HG3      GLN  78 106.354  -0.257 -15.578
    7   HE21  GLN  78          HE21      GLN  78 108.864   1.841 -15.929
    8   HE22  GLN  78          HE22      GLN  78 109.053   1.829 -17.614

  No H/Q in entry =           8
  In of MODEL   16
    1    H    VAL  79           H        VAL  79 109.360  -0.832 -11.633
    2    HA   VAL  79           HA       VAL  79 109.059   0.717  -9.379
    3    HB   VAL  79           HB       VAL  79 111.703  -0.262 -10.472

  No H/Q in entry =           3
  In of MODEL   16
    1    H    SER  80           H        SER  80 110.688   1.532 -12.446
    2    HA   SER  80           HA       SER  80 112.089   3.760 -11.374
    3    HB2  SER  80           HB2      SER  80 113.036   3.026 -13.363
    4    HB3  SER  80           HB3      SER  80 111.467   2.771 -14.118
    5    HG   SER  80           HG       SER  80 111.272   5.149 -13.946

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLN  81           H        GLN  81 108.901   3.305 -12.617
    2    HA   GLN  81           HA       GLN  81 108.417   6.198 -12.833
    3    HB2  GLN  81           HB2      GLN  81 106.594   3.888 -13.417
    4    HB3  GLN  81           HB3      GLN  81 106.340   5.563 -13.875
    5    HG2  GLN  81           HG2      GLN  81 108.464   3.648 -14.862
    6    HG3  GLN  81           HG3      GLN  81 107.119   4.371 -15.787
    7   HE21  GLN  81          HE21      GLN  81 110.257   4.585 -15.917
    8   HE22  GLN  81          HE22      GLN  81 110.511   6.258 -16.058

  No H/Q in entry =           8
  In of MODEL   16
    1    H    VAL  82           H        VAL  82 108.006   3.710 -10.515
    2    HA   VAL  82           HA       VAL  82 105.515   4.558  -9.530
    3    HB   VAL  82           HB       VAL  82 106.805   2.316  -9.305

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ILE  83           H        ILE  83 105.151   5.222  -7.169
    2    HA   ILE  83           HA       ILE  83 106.035   7.812  -6.871
    3    HB   ILE  83           HB       ILE  83 105.550   6.561  -4.227
    4   HD11  ILE  83          HD11      ILE  83 102.618   6.827  -4.069
    5   HD12  ILE  83          HD12      ILE  83 102.106   5.258  -4.661
    6   HD13  ILE  83          HD13      ILE  83 103.404   5.365  -3.489

  No H/Q in entry =           6
  In of MODEL   16
    1    HA   PRO  84           HA       PRO  84 110.343   7.528  -5.887
    2    HB2  PRO  84           HB2      PRO  84 109.859   9.281  -3.515
    3    HB3  PRO  84           HB3      PRO  84 111.049   9.468  -4.811
    4    HG2  PRO  84           HG2      PRO  84 108.861  10.975  -4.728
    5    HG3  PRO  84           HG3      PRO  84 109.511  10.388  -6.253
    6    HD2  PRO  84           HD2      PRO  84 107.138   9.470  -4.772
    7    HD3  PRO  84           HD3      PRO  84 107.397   9.506  -6.518

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  85           H        GLY  85 108.288   7.510  -2.993
    2    HA2  GLY  85           HA2      GLY  85 108.337   6.145  -1.153
    3    HA3  GLY  85           HA3      GLY  85 110.077   6.151  -1.320

  No H/Q in entry =           3
  In of MODEL   16
    1    H    TRP  86           H        TRP  86 107.495   4.971  -3.347
    2    HA   TRP  86           HA       TRP  86 107.701   2.198  -2.802
    3    HB2  TRP  86           HB2      TRP  86 106.406   3.971  -4.825
    4    HB3  TRP  86           HB3      TRP  86 106.546   2.262  -5.236
    5    HD1  TRP  86           HD1      TRP  86 105.284   4.278  -2.156
    6    HE1  TRP  86           HE1      TRP  86 103.173   3.135  -1.291
    7    HE3  TRP  86           HE3      TRP  86 105.036   0.503  -5.458
    8    HZ2  TRP  86           HZ2      TRP  86 101.569   0.879  -1.950
    9    HZ3  TRP  86           HZ3      TRP  86 103.190  -1.118  -5.335
   10    HH2  TRP  86           HH2      TRP  86 101.445  -0.942  -3.597

  No H/Q in entry =          10
  In of MODEL   16
    1    H    THR  87           H        THR  87 109.449   4.254  -5.102
    2    HA   THR  87           HA       THR  87 110.397   2.340  -6.879
    3    HB   THR  87           HB       THR  87 111.775   4.819  -5.813
    4    HG1  THR  87           HG1      THR  87 110.400   4.491  -8.247
    5   HG21  THR  87          HG21      THR  87 113.276   3.127  -7.063
    6   HG22  THR  87          HG22      THR  87 112.291   3.486  -8.467
    7   HG23  THR  87          HG23      THR  87 113.223   4.752  -7.711

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLU  88           H        GLU  88 112.010   3.529  -3.928
    2    HA   GLU  88           HA       GLU  88 114.161   1.684  -4.116
    3    HB2  GLU  88           HB2      GLU  88 114.350   3.865  -3.005
    4    HB3  GLU  88           HB3      GLU  88 113.232   3.326  -1.757
    5    HG2  GLU  88           HG2      GLU  88 115.510   3.081  -0.937
    6    HG3  GLU  88           HG3      GLU  88 114.836   1.476  -1.190

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ALA  89           H        ALA  89 111.155   1.653  -2.236
    2    HA   ALA  89           HA       ALA  89 111.867  -0.450  -0.513
    3    HB1  ALA  89           HB1      ALA  89 109.124   0.322  -1.507
    4    HB2  ALA  89           HB2      ALA  89 109.962   1.028  -0.126
    5    HB3  ALA  89           HB3      ALA  89 109.488  -0.666  -0.100

  No H/Q in entry =           5
  In of MODEL   16
    1    H    LEU  90           H        LEU  90 110.137  -0.645  -3.646
    2    HA   LEU  90           HA       LEU  90 109.447  -3.359  -3.542
    3    HB2  LEU  90           HB2      LEU  90 110.233  -1.707  -5.957
    4    HB3  LEU  90           HB3      LEU  90 109.358  -3.228  -6.004
    5    HG   LEU  90           HG       LEU  90 108.335  -0.887  -4.403
    6   HD11  LEU  90          HD11      LEU  90 107.994  -1.473  -7.334
    7   HD12  LEU  90          HD12      LEU  90 106.889  -0.446  -6.444
    8   HD13  LEU  90          HD13      LEU  90 108.583  -0.002  -6.595
    9   HD21  LEU  90          HD21      LEU  90 107.125  -3.360  -5.593
   10   HD22  LEU  90          HD22      LEU  90 107.209  -2.928  -3.903
   11   HD23  LEU  90          HD23      LEU  90 106.156  -2.047  -5.006

  No H/Q in entry =          11
  In of MODEL   16
    1    H    GLN  91           H        GLN  91 112.401  -1.784  -4.569
    2    HA   GLN  91           HA       GLN  91 113.668  -3.989  -5.717
    3    HB2  GLN  91           HB2      GLN  91 114.832  -1.538  -4.415
    4    HB3  GLN  91           HB3      GLN  91 115.717  -2.650  -5.456
    5    HG2  GLN  91           HG2      GLN  91 114.253  -2.154  -7.325
    6    HG3  GLN  91           HG3      GLN  91 113.218  -1.170  -6.287
    7   HE21  GLN  91          HE21      GLN  91 113.578   0.884  -7.284
    8   HE22  GLN  91          HE22      GLN  91 115.102   1.628  -7.341

  No H/Q in entry =           8
  In of MODEL   16
    1    H    LEU  92           H        LEU  92 113.204  -3.035  -2.429
    2    HA   LEU  92           HA       LEU  92 115.247  -4.953  -1.486
    3    HB2  LEU  92           HB2      LEU  92 113.648  -2.987   0.154
    4    HB3  LEU  92           HB3      LEU  92 115.118  -3.840   0.626
    5    HG   LEU  92           HG       LEU  92 114.966  -1.847  -1.637
    6   HD11  LEU  92          HD11      LEU  92 114.546  -0.759   0.482
    7   HD12  LEU  92          HD12      LEU  92 116.013  -1.476   1.154
    8   HD13  LEU  92          HD13      LEU  92 116.116  -0.312  -0.170
    9   HD21  LEU  92          HD21      LEU  92 117.195  -3.349  -0.330
   10   HD22  LEU  92          HD22      LEU  92 116.777  -3.306  -2.038
   11   HD23  LEU  92          HD23      LEU  92 117.480  -1.889  -1.267

  No H/Q in entry =          11
  In of MODEL   16
    1    H    MET  93           H        MET  93 111.854  -4.563  -1.843
    2    HA   MET  93           HA       MET  93 111.131  -6.371   0.272
    3    HB2  MET  93           HB2      MET  93 109.610  -4.623  -0.341
    4    HB3  MET  93           HB3      MET  93 109.546  -5.208  -2.004
    5    HG2  MET  93           HG2      MET  93 108.371  -7.167  -1.392
    6    HG3  MET  93           HG3      MET  93 108.805  -6.995   0.309
    7    HE1  MET  93           HE1      MET  93 107.340  -5.492  -2.666
    8    HE2  MET  93           HE2      MET  93 105.642  -5.751  -2.257
    9    HE3  MET  93           HE3      MET  93 106.356  -4.149  -2.120

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   PRO  94           HA       PRO  94 111.947  -9.977  -2.499
    2    HB2  PRO  94           HB2      PRO  94 111.290 -11.574  -0.124
    3    HB3  PRO  94           HB3      PRO  94 112.772 -11.567  -1.092
    4    HG2  PRO  94           HG2      PRO  94 112.696 -10.556   1.381
    5    HG3  PRO  94           HG3      PRO  94 113.691  -9.829   0.102
    6    HD2  PRO  94           HD2      PRO  94 111.016  -8.955   1.123
    7    HD3  PRO  94           HD3      PRO  94 112.442  -8.001   0.751

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  95           H        ALA  95 110.677 -11.433  -3.572
    2    HA   ALA  95           HA       ALA  95 107.910 -10.942  -3.598
    3    HB1  ALA  95           HB1      ALA  95 109.497 -13.128  -4.875
    4    HB2  ALA  95           HB2      ALA  95 107.770 -12.867  -5.147
    5    HB3  ALA  95           HB3      ALA  95 108.931 -11.628  -5.614

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  96           H        GLY  96 106.240 -11.747  -2.637
    2    HA2  GLY  96           HA2      GLY  96 106.473 -14.305  -1.201
    3    HA3  GLY  96           HA3      GLY  96 104.982 -13.450  -1.610

  No H/Q in entry =           3
  In of MODEL   16
    1    H    SER  97           H        SER  97 107.539 -11.468  -0.583
    2    HA   SER  97           HA       SER  97 106.829 -11.543   2.243
    3    HB2  SER  97           HB2      SER  97 108.788 -10.325   2.588
    4    HB3  SER  97           HB3      SER  97 109.194 -11.212   1.119
    5    HG   SER  97           HG       SER  97 108.626  -8.521   1.506

  No H/Q in entry =           5
  In of MODEL   16
    1    H    THR  98           H        THR  98 105.710 -10.018   3.301
    2    HA   THR  98           HA       THR  98 104.442  -7.889   1.693
    3    HB   THR  98           HB       THR  98 103.460  -9.096   4.279
    4    HG1  THR  98           HG1      THR  98 102.185 -10.338   3.045
    5   HG21  THR  98          HG21      THR  98 102.275  -7.170   2.263
    6   HG22  THR  98          HG22      THR  98 101.381  -7.939   3.576
    7   HG23  THR  98          HG23      THR  98 102.702  -6.837   3.942

  No H/Q in entry =           7
  In of MODEL   16
    1    H    TRP  99           H        TRP  99 105.234  -5.945   2.018
    2    HA   TRP  99           HA       TRP  99 106.322  -5.286   4.697
    3    HB2  TRP  99           HB2      TRP  99 107.102  -4.216   1.984
    4    HB3  TRP  99           HB3      TRP  99 107.630  -3.506   3.492
    5    HD1  TRP  99           HD1      TRP  99 107.588  -7.286   3.541
    6    HE1  TRP  99           HE1      TRP  99 109.969  -8.171   3.431
    7    HE3  TRP  99           HE3      TRP  99 109.989  -2.938   2.417
    8    HZ2  TRP  99           HZ2      TRP  99 112.607  -7.148   2.932
    9    HZ3  TRP  99           HZ3      TRP  99 112.458  -2.924   2.144
   10    HH2  TRP  99           HH2      TRP  99 113.767  -5.017   2.395

  No H/Q in entry =          10
  In of MODEL   16
    1    H    GLU 100           H        GLU 100 106.328  -2.964   5.107
    2    HA   GLU 100           HA       GLU 100 104.032  -1.501   4.005
    3    HB2  GLU 100           HB2      GLU 100 104.747  -1.872   6.908
    4    HB3  GLU 100           HB3      GLU 100 103.820  -0.481   6.360
    5    HG2  GLU 100           HG2      GLU 100 102.117  -1.920   5.426
    6    HG3  GLU 100           HG3      GLU 100 103.040  -3.356   5.833

  No H/Q in entry =           6
  In of MODEL   16
    1    H    ILE 101           H        ILE 101 104.610   0.540   3.422
    2    HA   ILE 101           HA       ILE 101 107.134   1.557   4.474
    3    HB   ILE 101           HB       ILE 101 108.016   2.115   2.432
    4   HD11  ILE 101          HD11      ILE 101 107.997   2.897   0.222
    5   HD12  ILE 101          HD12      ILE 101 107.325   1.364  -0.322
    6   HD13  ILE 101          HD13      ILE 101 106.541   2.869  -0.752

  No H/Q in entry =           6
  In of MODEL   16
    1    H    TYR 102           H        TYR 102 107.190   3.551   5.069
    2    HA   TYR 102           HA       TYR 102 104.650   5.053   4.931
    3    HB2  TYR 102           HB2      TYR 102 106.977   5.359   6.837
    4    HB3  TYR 102           HB3      TYR 102 105.418   6.123   6.979
    5    HD1  TYR 102           HD1      TYR 102 106.543   2.538   6.391
    6    HD2  TYR 102           HD2      TYR 102 104.177   5.217   8.750
    7    HE1  TYR 102           HE1      TYR 102 105.725   0.645   7.675
    8    HE2  TYR 102           HE2      TYR 102 103.349   3.301  10.068
    9    HH   TYR 102           HH       TYR 102 103.797   1.096  10.580

  No H/Q in entry =           9
  In of MODEL   16
    1    H    VAL 103           H        VAL 103 104.856   6.232   3.146
    2    HA   VAL 103           HA       VAL 103 107.373   7.298   2.338
    3    HB   VAL 103           HB       VAL 103 104.765   7.771   0.971

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO 104           HA       PRO 104 106.689  11.290   4.326
    2    HB2  PRO 104           HB2      PRO 104 108.900  12.017   2.456
    3    HB3  PRO 104           HB3      PRO 104 108.773  12.297   4.204
    4    HG2  PRO 104           HG2      PRO 104 110.380  10.400   3.142
    5    HG3  PRO 104           HG3      PRO 104 109.639  10.226   4.725
    6    HD2  PRO 104           HD2      PRO 104 108.997   8.835   2.213
    7    HD3  PRO 104           HD3      PRO 104 108.662   8.358   3.892

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER 105           H        SER 105 105.557  13.096   3.574
    2    HA   SER 105           HA       SER 105 104.058  12.902   1.294
    3    HB2  SER 105           HB2      SER 105 103.593  15.302   1.540
    4    HB3  SER 105           HB3      SER 105 103.569  14.485   3.097
    5    HG   SER 105           HG       SER 105 105.325  16.364   2.086

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY 106           H        GLY 106 107.281  14.179   1.649
    2    HA2  GLY 106           HA2      GLY 106 108.807  14.991   0.136
    3    HA3  GLY 106           HA3      GLY 106 107.458  15.475  -0.884

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LEU 107           H        LEU 107 107.995  12.187   0.223
    2    HA   LEU 107           HA       LEU 107 109.050  11.392  -2.423
    3    HB2  LEU 107           HB2      LEU 107 108.822   9.779   0.137
    4    HB3  LEU 107           HB3      LEU 107 109.641   9.271  -1.317
    5    HG   LEU 107           HG       LEU 107 110.417  11.547   0.505
    6   HD11  LEU 107          HD11      LEU 107 111.810   8.996  -0.316
    7   HD12  LEU 107          HD12      LEU 107 112.526  10.251   0.678
    8   HD13  LEU 107          HD13      LEU 107 111.140   9.341   1.268
    9   HD21  LEU 107          HD21      LEU 107 111.372  10.851  -2.260
   10   HD22  LEU 107          HD22      LEU 107 110.927  12.435  -1.626
   11   HD23  LEU 107          HD23      LEU 107 112.431  11.674  -1.120

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ALA 108           H        ALA 108 106.106  11.795  -1.087
    2    HA   ALA 108           HA       ALA 108 104.959   9.334  -2.220
    3    HB1  ALA 108           HB1      ALA 108 103.664  11.330  -0.365
    4    HB2  ALA 108           HB2      ALA 108 103.039   9.762  -0.836
    5    HB3  ALA 108           HB3      ALA 108 104.461   9.881   0.171

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR 109           H        TYR 109 102.730  11.811  -1.647
    2    HA   TYR 109           HA       TYR 109 102.333  12.143  -4.502
    3    HB2  TYR 109           HB2      TYR 109 100.584  12.284  -2.090
    4    HB3  TYR 109           HB3      TYR 109 100.062  13.053  -3.587
    5    HD1  TYR 109           HD1      TYR 109 100.450   9.936  -1.869
    6    HD2  TYR 109           HD2      TYR 109 100.218  11.704  -5.757
    7    HE1  TYR 109           HE1      TYR 109 100.049   7.740  -2.839
    8    HE2  TYR 109           HE2      TYR 109  99.831   9.486  -6.746
    9    HH   TYR 109           HH       TYR 109 100.477   6.668  -5.128

  No H/Q in entry =           9
  In of MODEL   16
    1    H    GLY 110           H        GLY 110 103.810  13.966  -2.120
    2    HA2  GLY 110           HA2      GLY 110 103.295  16.422  -3.707
    3    HA3  GLY 110           HA3      GLY 110 104.805  16.059  -2.907

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO 111           HA       PRO 111 103.557  18.466   0.528
    2    HB2  PRO 111           HB2      PRO 111 103.924  21.016  -0.283
    3    HB3  PRO 111           HB3      PRO 111 105.272  19.892  -0.062
    4    HG2  PRO 111           HG2      PRO 111 103.911  20.704  -2.588
    5    HG3  PRO 111           HG3      PRO 111 105.640  20.501  -2.258
    6    HD2  PRO 111           HD2      PRO 111 104.123  18.605  -3.516
    7    HD3  PRO 111           HD3      PRO 111 105.546  18.205  -2.547

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ARG 112           H        ARG 112 101.960  19.335  -2.486
    2    HA   ARG 112           HA       ARG 112  99.835  20.791  -1.167
    3    HB2  ARG 112           HB2      ARG 112 100.386  19.999  -4.016
    4    HB3  ARG 112           HB3      ARG 112  98.810  20.637  -3.550
    5    HG2  ARG 112           HG2      ARG 112  99.921  22.651  -2.623
    6    HG3  ARG 112           HG3      ARG 112 101.481  22.027  -3.156
    7    HD2  ARG 112           HD2      ARG 112 100.874  22.174  -5.457
    8    HD3  ARG 112           HD3      ARG 112  99.172  22.408  -5.062
    9    HE   ARG 112           HE       ARG 112  99.620  24.660  -4.599
   10   HH11  ARG 112          HH11      ARG 112 102.528  22.830  -4.992
   11   HH12  ARG 112          HH12      ARG 112 103.546  24.219  -5.178
   12   HH21  ARG 112          HH21      ARG 112 100.951  26.495  -4.813
   13   HH22  ARG 112          HH22      ARG 112 102.648  26.297  -5.092

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER 113           H        SER 113  97.540  20.205  -1.767
    2    HA   SER 113           HA       SER 113  96.994  17.528  -0.861
    3    HB2  SER 113           HB2      SER 113  95.024  19.564  -1.896
    4    HB3  SER 113           HB3      SER 113  94.714  18.214  -0.813
    5    HG   SER 113           HG       SER 113  94.907  20.240   0.280

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL 114           H        VAL 114  97.832  16.253  -2.574
    2    HA   VAL 114           HA       VAL 114  96.653  16.596  -5.252
    3    HB   VAL 114           HB       VAL 114  98.722  14.585  -4.437

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLY 115           H        GLY 115  94.633  15.788  -3.674
    2    HA2  GLY 115           HA2      GLY 115  94.442  12.978  -3.276
    3    HA3  GLY 115           HA3      GLY 115  93.722  13.420  -4.819

  No H/Q in entry =           3
  In of MODEL   16
    1    H    GLY 116           H        GLY 116  92.037  12.289  -3.169
    2    HA2  GLY 116           HA2      GLY 116  89.954  12.520  -2.208
    3    HA3  GLY 116           HA3      GLY 116  89.993  14.182  -2.752

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO 117           HA       PRO 117  90.015  14.216   1.903
    2    HB2  PRO 117           HB2      PRO 117  90.965  12.098   3.324
    3    HB3  PRO 117           HB3      PRO 117  89.316  12.153   2.677
    4    HG2  PRO 117           HG2      PRO 117  91.742  10.928   1.460
    5    HG3  PRO 117           HG3      PRO 117  90.150  10.203   1.704
    6    HD2  PRO 117           HD2      PRO 117  90.815  11.144  -0.666
    7    HD3  PRO 117           HD3      PRO 117  89.195  11.486  -0.013

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ILE 118           H        ILE 118  92.772  13.079   0.236
    2    HA   ILE 118           HA       ILE 118  94.789  13.684   2.146
    3    HB   ILE 118           HB       ILE 118  95.065  13.864  -0.870
    4   HD11  ILE 118          HD11      ILE 118  93.436  12.349  -1.246
    5   HD12  ILE 118          HD12      ILE 118  94.382  10.985  -1.809
    6   HD13  ILE 118          HD13      ILE 118  93.330  10.824  -0.406

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY 119           H        GLY 119  95.050  15.676   2.952
    2    HA2  GLY 119           HA2      GLY 119  94.545  17.971   3.137
    3    HA3  GLY 119           HA3      GLY 119  94.201  18.042   1.428

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO 120           HA       PRO 120  98.248  19.780   1.120
    2    HB2  PRO 120           HB2      PRO 120  98.700  21.709   2.998
    3    HB3  PRO 120           HB3      PRO 120  97.618  21.945   1.628
    4    HG2  PRO 120           HG2      PRO 120  96.945  21.223   4.428
    5    HG3  PRO 120           HG3      PRO 120  96.142  22.350   3.358
    6    HD2  PRO 120           HD2      PRO 120  95.206  19.860   3.854
    7    HD3  PRO 120           HD3      PRO 120  94.963  20.657   2.284

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ASN 121           H        ASN 121 100.397  19.452   1.641
    2    HA   ASN 121           HA       ASN 121 102.112  18.228   2.576
    3    HB2  ASN 121           HB2      ASN 121 101.906  20.561   3.692
    4    HB3  ASN 121           HB3      ASN 121 101.395  19.665   5.118
    5   HD21  ASN 121          HD21      ASN 121 103.010  17.599   5.465
    6   HD22  ASN 121          HD22      ASN 121 104.652  18.021   5.400

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLU 122           H        GLU 122 100.432  16.320   2.491
    2    HA   GLU 122           HA       GLU 122 100.137  15.163   5.201
    3    HB2  GLU 122           HB2      GLU 122  98.611  13.681   3.272
    4    HB3  GLU 122           HB3      GLU 122  98.012  14.621   4.636
    5    HG2  GLU 122           HG2      GLU 122  97.064  15.465   2.581
    6    HG3  GLU 122           HG3      GLU 122  98.176  16.658   3.243

  No H/Q in entry =           6
  In of MODEL   16
    1    H    THR 123           H        THR 123 100.946  13.229   5.668
    2    HA   THR 123           HA       THR 123 102.824  12.058   3.733
    3    HB   THR 123           HB       THR 123 102.356  11.445   6.652
    4    HG1  THR 123           HG1      THR 123 104.721  12.537   6.050
    5   HG21  THR 123          HG21      THR 123 104.537  10.627   4.746
    6   HG22  THR 123          HG22      THR 123 104.507  10.263   6.476
    7   HG23  THR 123          HG23      THR 123 103.299   9.572   5.396

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LEU 124           H        LEU 124 102.291  10.276   2.654
    2    HA   LEU 124           HA       LEU 124  99.842   8.798   3.467
    3    HB2  LEU 124           HB2      LEU 124 101.259   8.836   0.787
    4    HB3  LEU 124           HB3      LEU 124  99.757   8.009   1.150
    5    HG   LEU 124           HG       LEU 124  98.966   9.930   0.092
    6   HD11  LEU 124          HD11      LEU 124  98.003   9.780   2.393
    7   HD12  LEU 124          HD12      LEU 124  99.197  10.968   2.882
    8   HD13  LEU 124          HD13      LEU 124  97.997  11.403   1.697
    9   HD21  LEU 124          HD21      LEU 124 101.203  10.960  -0.119
   10   HD22  LEU 124          HD22      LEU 124  99.937  12.123   0.243
   11   HD23  LEU 124          HD23      LEU 124 101.029  11.593   1.504

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE 125           H        ILE 125  99.992   6.654   3.917
    2    HA   ILE 125           HA       ILE 125 102.606   5.315   3.567
    3    HB   ILE 125           HB       ILE 125 102.294   5.478   5.910
    4   HD11  ILE 125          HD11      ILE 125 102.134   3.901   7.611
    5   HD12  ILE 125          HD12      ILE 125 101.000   2.589   7.389
    6   HD13  ILE 125          HD13      ILE 125 102.717   2.322   7.146

  No H/Q in entry =           6
  In of MODEL   16
    1    H    PHE 126           H        PHE 126 102.562   3.214   2.810
    2    HA   PHE 126           HA       PHE 126  99.920   2.140   2.090
    3    HB2  PHE 126           HB2      PHE 126 102.236   1.937   0.194
    4    HB3  PHE 126           HB3      PHE 126 100.513   1.703  -0.125
    5    HD1  PHE 126           HD1      PHE 126  99.058   3.568  -0.621
    6    HD2  PHE 126           HD2      PHE 126 103.110   4.216   0.657
    7    HE1  PHE 126           HE1      PHE 126  98.873   5.982  -1.210
    8    HE2  PHE 126           HE2      PHE 126 102.900   6.614   0.065
    9    HZ   PHE 126           HZ       PHE 126 100.804   7.472  -0.859

  No H/Q in entry =           9
  In of MODEL   16
    1    H    LYS 127           H        LYS 127  99.777  -0.119   1.962
    2    HA   LYS 127           HA       LYS 127 101.989  -1.558   3.219
    3    HB2  LYS 127           HB2      LYS 127  99.517  -3.087   2.727
    4    HB3  LYS 127           HB3      LYS 127 100.424  -2.900   4.207
    5    HG2  LYS 127           HG2      LYS 127  98.491  -0.876   3.110
    6    HG3  LYS 127           HG3      LYS 127  98.139  -2.020   4.399
    7    HD2  LYS 127           HD2      LYS 127  99.908  -1.065   5.802
    8    HD3  LYS 127           HD3      LYS 127 100.318   0.083   4.545
    9    HE2  LYS 127           HE2      LYS 127  98.173   1.168   4.723
   10    HE3  LYS 127           HE3      LYS 127  97.576  -0.085   5.813
   11    HZ1  LYS 127           HZ1      LYS 127  99.922   0.830   6.925
   12    HZ2  LYS 127           HZ2      LYS 127  99.111   2.231   6.409
   13    HZ3  LYS 127           HZ3      LYS 127  98.349   1.144   7.471

  No H/Q in entry =          13
  In of MODEL   16
    1    H    ILE 128           H        ILE 128 103.262  -2.745   1.886
    2    HA   ILE 128           HA       ILE 128 102.087  -3.277  -0.802
    3    HB   ILE 128           HB       ILE 128 105.057  -3.066  -0.358
    4   HD11  ILE 128          HD11      ILE 128 105.276  -0.599  -2.099
    5   HD12  ILE 128          HD12      ILE 128 104.961   0.687  -0.950
    6   HD13  ILE 128          HD13      ILE 128 106.076  -0.605  -0.528

  No H/Q in entry =           6
  In of MODEL   16
    1    H    HIS 129           H        HIS 129 101.643  -5.177  -1.238
    2    HA   HIS 129           HA       HIS 129 103.070  -7.454  -0.017
    3    HB2  HIS 129           HB2      HIS 129 100.714  -7.442   0.551
    4    HB3  HIS 129           HB3      HIS 129 100.276  -7.179  -1.133
    5    HD2  HIS 129           HD2      HIS 129 102.854  -9.986   0.072
    6    HE1  HIS 129           HE1      HIS 129  99.583 -11.769  -1.943
    7    HE2  HIS 129           HE2      HIS 129 101.872 -12.202  -0.955

  No H/Q in entry =           7
  In of MODEL   16
    1    H    LEU 130           H        LEU 130 104.391  -8.540  -1.381
    2    HA   LEU 130           HA       LEU 130 104.128  -7.991  -4.242
    3    HB2  LEU 130           HB2      LEU 130 106.309  -8.140  -2.550
    4    HB3  LEU 130           HB3      LEU 130 106.366  -9.647  -3.407
    5    HG   LEU 130           HG       LEU 130 106.186  -6.956  -4.706
    6   HD11  LEU 130          HD11      LEU 130 108.485  -8.840  -4.296
    7   HD12  LEU 130          HD12      LEU 130 108.514  -7.596  -5.530
    8   HD13  LEU 130          HD13      LEU 130 108.385  -7.154  -3.832
    9   HD21  LEU 130          HD21      LEU 130 105.118  -8.747  -6.058
   10   HD22  LEU 130          HD22      LEU 130 106.587  -8.184  -6.792
   11   HD23  LEU 130          HD23      LEU 130 106.597  -9.691  -5.913

  No H/Q in entry =          11
  In of MODEL   16
    1    H    ILE 131           H        ILE 131 102.915  -9.276  -5.429
    2    HA   ILE 131           HA       ILE 131 102.578 -12.101  -4.734
    3    HB   ILE 131           HB       ILE 131 101.184 -10.311  -6.740
    4   HD11  ILE 131          HD11      ILE 131 100.210  -8.698  -5.390
    5   HD12  ILE 131          HD12      ILE 131  99.592  -9.038  -3.784
    6   HD13  ILE 131          HD13      ILE 131 101.318  -9.061  -4.066

  No H/Q in entry =           6
  In of MODEL   16
    1    H    SER 132           H        SER 132 103.509 -10.118  -7.577
    2    HA   SER 132           HA       SER 132 105.265 -12.310  -8.448
    3    HB2  SER 132           HB2      SER 132 104.289 -12.646 -10.526
    4    HB3  SER 132           HB3      SER 132 102.853 -12.339  -9.554
    5    HG   SER 132           HG       SER 132 103.216 -11.097 -11.610

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL 133           H        VAL 133 106.847 -11.642 -10.031
    2    HA   VAL 133           HA       VAL 133 107.257  -8.705 -10.201
    3    HB   VAL 133           HB       VAL 133 109.389 -10.795  -9.648

  No H/Q in entry =           3
  In of MODEL   16
    1    H    LYS 134           H        LYS 134 107.916  -7.953 -12.127
    2    HA   LYS 134           HA       LYS 134 108.029  -9.775 -14.389
    3    HB2  LYS 134           HB2      LYS 134 106.865  -7.416 -14.161
    4    HB3  LYS 134           HB3      LYS 134 108.484  -6.853 -14.571
    5    HG2  LYS 134           HG2      LYS 134 107.587  -7.068 -16.710
    6    HG3  LYS 134           HG3      LYS 134 108.290  -8.674 -16.513
    7    HD2  LYS 134           HD2      LYS 134 106.003  -9.341 -15.527
    8    HD3  LYS 134           HD3      LYS 134 105.404  -7.845 -16.239
    9    HE2  LYS 134           HE2      LYS 134 106.500  -8.664 -18.430
   10    HE3  LYS 134           HE3      LYS 134 106.593 -10.238 -17.642
   11    HZ1  LYS 134           HZ1      LYS 134 104.150  -9.956 -17.170
   12    HZ2  LYS 134           HZ2      LYS 134 104.169  -8.656 -18.266
   13    HZ3  LYS 134           HZ3      LYS 134 104.567 -10.222 -18.794

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LYS 135           H        LYS 135 109.699  -7.918 -15.874
    2    HA   LYS 135           HA       LYS 135 112.167  -7.372 -14.769
    3    HB2  LYS 135           HB2      LYS 135 111.831 -10.166 -15.052
    4    HB3  LYS 135           HB3      LYS 135 112.927  -9.711 -16.335
    5    HG2  LYS 135           HG2      LYS 135 113.339  -8.748 -13.513
    6    HG3  LYS 135           HG3      LYS 135 113.922 -10.314 -14.055
    7    HD2  LYS 135           HD2      LYS 135 114.566  -7.914 -15.742
    8    HD3  LYS 135           HD3      LYS 135 115.457  -8.125 -14.236
    9    HE2  LYS 135           HE2      LYS 135 115.197 -10.251 -16.373
   10    HE3  LYS 135           HE3      LYS 135 116.595  -9.192 -16.192
   11    HZ1  LYS 135           HZ1      LYS 135 115.934 -10.341 -13.705
   12    HZ2  LYS 135           HZ2      LYS 135 116.093 -11.576 -14.862
   13    HZ3  LYS 135           HZ3      LYS 135 117.372 -10.491 -14.591

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER 136           H        SER 136 113.423  -6.304 -16.023
    2    HA   SER 136           HA       SER 136 112.455  -5.312 -18.498
    3    HB2  SER 136           HB2      SER 136 113.886  -3.781 -17.521
    4    HB3  SER 136           HB3      SER 136 114.937  -5.036 -16.871
    5    HG   SER 136           HG       SER 136 114.873  -4.987 -19.603

  No H/Q in entry =           5
  In of MODEL   16
    1    H    SER 137           H        SER 137 115.060  -7.596 -17.710
    2    HA   SER 137           HA       SER 137 116.425  -8.851 -19.119
    3    HB2  SER 137           HB2      SER 137 115.121 -10.618 -20.199
    4    HB3  SER 137           HB3      SER 137 114.476 -10.267 -18.598
    5    HG   SER 137           HG       SER 137 112.843 -10.391 -20.215

  No H/Q in entry =           5