NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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633635 |
6d2u   |
30452 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: mds_181_tar_intermolecularnoes.tbl !-------------------------------------------------------------------------! !Intermolecular NOE Table for HIV TAR bound to JB181 peptide ! !Updated 053016 mds !RNA, 29mer GGCAGAUCUGAGCCUGGGAGCUCUCUGCC !JB181, 14mer DAB VAL ARG THR ARG LYS GLY ARG ARG ILE NOR ILE DPR PRO !DAB= L-Diamino Butyric Acid !NOR= L-2-Amino-4-guanidinobutyric acid !DPR= D-Proline !! NOE binning !! !! 100ms !medium 3.5 1.2 1.2 !weak 4.5 1.6 1.6 !! 300ms !weak 4.5 1.6 1.6 !very weak 5.0 2.0 2.0 !TOTAL intermolecular NOES = 92 !H2O = !D2O = !------------------------------------------------------------------------! !!*** H2O NOESY ***!! !------------------------------------------------------------------------! !G21 assign ( resid 1 and name HD# ) ( resid 21 and name H8 ) 3.5 1.2 1.2 !A22 assign ( resid 1 and name HD# ) ( resid 22 and name H8 ) 4.5 1.6 1.6 !U23 assign ( resid 3 and name HG# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 5 and name HG# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 5 and name HD# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 10 and name HD# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 assign ( resid 10 and name HG1# ) ( resid 23 and name H3 ) 4.5 1.6 1.6 !C24 assign ( resid 7 and name HN ) ( resid 24 and name H5 ) 4.5 1.6 1.6 !U25 assign ( resid 6 and name HN ) ( resid 25 and name H5 ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 25 and name H5 ) 4.5 1.6 1.6 !G26 assign ( resid 3 and name HH1# ) ( resid 26 and name H1 ) 5.0 2.0 2.0 assign ( resid 3 and name HH2# ) ( resid 26 and name H1 ) 5.0 2.0 2.0 !G28 assign ( resid 5 and name HE ) ( resid 28 and name H8 ) 4.5 1.6 1.6 ! assign ( resid 5 and name HH2# ) ( resid 28 and name H8 ) 4.5 1.6 1.6 ! assign ( resid 5 and name HH1# ) ( resid 28 and name H1' ) 4.5 1.6 1.6 !U38 assign ( resid 10 and name HD1# ) ( resid 38 and name H3 ) 4.5 1.6 1.6 !-----------------------------------------------------------------------! !!*** D2O NOESY ***!! !-----------------------------------------------------------------------! !G21 assign ( resid 1 and name HG# ) ( resid 21 and name H8 ) 4.5 1.6 1.6 !************************************************************************! !A22 assign ( resid 1 and name HB# ) ( resid 22 and name H8 ) 5.0 2.0 2.0 assign ( resid 1 and name HG# ) ( resid 22 and name H8 ) 5.0 2.0 2.0 assign ( resid 3 and name HG# ) ( resid 22 and name H8 ) 5.0 2.0 2.0 assign ( resid 3 and name HB# ) ( resid 22 and name H8 ) 4.5 1.6 1.6 !*************************************************************************! !U23 assign ( resid 3 and name HB# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 3 and name HG# ) ( resid 23 and name H5 ) 5.0 2.0 2.0 assign ( resid 3 and name HD# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 5 and name HD# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 10 and name HD# ) ( resid 23 and name H5 ) 3.5 1.5 1.5 assign ( resid 10 and name HG1# ) ( resid 23 and name H5 ) 5.0 2.0 2.0 assign ( resid 10 and name HG2# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 12 and name HD# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 12 and name HG2# ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 12 and name HG12 ) ( resid 23 and name H5 ) 4.5 1.6 1.6 assign ( resid 3 and name HD# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 assign ( resid 5 and name HG# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 assign ( resid 5 and name HB# ) ( resid 23 and name H6 ) 5.0 2.0 2.0 assign ( resid 5 and name HD# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 ! assign ( resid 8 and name HG# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 assign ( resid 10 and name HD# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 assign ( resid 10 and name HG2# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 assign ( resid 12 and name HD# ) ( resid 23 and name H6 ) 4.5 1.6 1.6 ! assign ( resid 5 and name HG# ) ( resid 23 and name H1' ) 5.0 2.0 2.0 assign ( resid 5 and name HB# ) ( resid 23 and name H1' ) 5.0 2.0 2.0 ! assign ( resid 5 and name HD# ) ( resid 23 and name H1' ) 5.0 2.0 2.0 !assign ( resid 10 and name HG2# ) ( resid 23 and name H1' ) 5.0 2.0 2.0 !*************************************************************************! !C24 assign ( resid 4 and name HG2# ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 6 and name HB# ) ( resid 24 and name H6 ) 3.5 1.2 1.2 assign ( resid 6 and name HG# ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 6 and name HE# ) ( resid 24 and name H6 ) 3.5 1.2 1.2 assign ( resid 7 and name HA1 ) ( resid 24 and name H6 ) 5.0 2.0 2.0 assign ( resid 4 and name HB ) ( resid 24 and name H5 ) 5.0 2.0 2.0 assign ( resid 4 and name HG2# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 assign ( resid 7 and name HA# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 assign ( resid 6 and name HA ) ( resid 24 and name H5 ) 5.0 2.0 2.0 assign ( resid 6 and name HE# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 assign ( resid 6 and name HD# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 assign ( resid 6 and name HG# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 assign ( resid 6 and name HB# ) ( resid 24 and name H5 ) 4.5 1.6 1.6 !*************************************************************************! !U25 !assign ( resid 4 and name HG2# ) ( resid 25 and name H5 ) 5.0 2.0 2.0 assign ( resid 5 and name HG# ) ( resid 25 and name H5 ) 5.0 2.0 2.0 !assign ( resid 10 and name HD# ) ( resid 25 and name H6 ) 5.0 2.0 2.0 !*************************************************************************! !C30 ! assign ( resid 8 and name HG# ) ( resid 30 and name H1' ) 4.5 1.6 1.6 assign ( resid 8 and name HG# ) ( resid 30 and name H6 ) 4.5 1.6 1.6 !*************************************************************************! !G32 ! assign ( resid 8 and name HD1 ) ( resid 32 and name H8 ) 4.5 1.6 1.6 ! assign ( resid 8 and name HD2 ) ( resid 32 and name H8 ) 4.5 1.6 1.6 !************************************************************************! !G33 !assign ( resid 8 and name HD1 ) ( resid 33 and name H8 ) 4.5 1.6 1.6 !assign ( resid 8 and name HD2 ) ( resid 33 and name H8 ) 4.5 1.6 1.6 !assign ( resid 8 and name HB1 ) ( resid 33 and name H8 ) 5.0 2.0 2.0 !assign ( resid 8 and name HB2 ) ( resid 33 and name H8 ) 5.0 2.0 2.0 !************************************************************************! !G34 assign ( resid 8 and name HB# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 8 and name HG# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 8 and name HD# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 ! assign ( resid 9 and name HD# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 10 and name HB ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 10 and name HG1# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 10 and name HG2# ) ( resid 34 and name H8 ) 2.5 0.7 0.7 assign ( resid 10 and name HD# ) ( resid 34 and name H8 ) 3.5 1.2 1.2 ! assign ( resid 12 and name HD# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 ! assign ( resid 12 and name HG2# ) ( resid 34 and name H8 ) 4.5 1.6 1.6 !assign ( resid 8 and name HG# ) ( resid 34 and name H1' ) 4.5 1.6 1.6 ! assign ( resid 9 and name HD# ) ( resid 34 and name H1' ) 5.0 2.0 2.0 assign ( resid 10 and name HD# ) ( resid 34 and name H1' ) 4.5 1.6 1.6 assign ( resid 10 and name HG2# ) ( resid 34 and name H1' ) 4.5 1.6 1.6 ! assign ( resid 8 and name HG1 ) ( resid 34 and name H2'' ) 5.0 2.0 2.0 ! assign ( resid 8 and name HG2 ) ( resid 34 and name H2'' ) 5.0 2.0 2.0 !************************************************************************! !A35 ! assign ( resid 2 and name HG# ) ( resid 35 and name H2 ) 4.5 1.6 1.6 ! assign ( resid 2 and name HB ) ( resid 35 and name H2 ) 5.0 2.0 2.0 assign ( resid 11 and name HG# ) ( resid 35 and name H2 ) 5.0 2.0 2.0 assign ( resid 13 and name HB# ) ( resid 35 and name H2 ) 4.5 1.6 1.6 assign ( resid 13 and name HG# ) ( resid 35 and name H2 ) 4.5 1.6 1.6 assign ( resid 13 and name HD# ) ( resid 35 and name H2 ) 4.5 1.6 1.6 ! assign ( resid 14 and name HB1 ) ( resid 35 and name H2 ) 5.0 2.0 2.0 ! assign ( resid 14 and name HD2 ) ( resid 35 and name H2 ) 4.5 1.6 1.6 ! assign ( resid 14 and name HD1 ) ( resid 35 and name H2 ) 4.5 1.6 1.6 ! assign ( resid 2 and name HG1# ) ( resid 35 and name H8 ) 5.0 2.0 2.0 assign ( resid 11 and name HB# ) ( resid 35 and name H8 ) 4.5 1.6 1.6 assign ( resid 11 and name HG# ) ( resid 35 and name H8 ) 4.5 1.6 1.6 assign ( resid 13 and name HD# ) ( resid 35 and name H8 ) 5.0 2.0 2.0 assign ( resid 13 and name HB# ) ( resid 35 and name H8 ) 5.0 2.0 2.0 assign ( resid 13 and name HG# ) ( resid 35 and name H8 ) 5.0 2.0 2.0 !assign ( resid 3 and name HB1 ) ( resid 35 and name H1' ) 5.0 2.0 2.0 assign ( resid 11 and name HB# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 11 and name HG# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 12 and name HG2# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 ! assign ( resid 2 and name HG# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 13 and name HB# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 13 and name HG# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 13 and name HD# ) ( resid 35 and name H1' ) 4.5 1.6 1.6 !**************************************************************************! !G36 assign ( resid 10 and name HG2# ) ( resid 36 and name H8 ) 3.5 1.2 1.2 assign ( resid 10 and name HD# ) ( resid 36 and name H8 ) 4.5 1.6 1.6 assign ( resid 12 and name HD# ) ( resid 36 and name H8 ) 4.5 1.6 1.6 !**************************************************************************! !C37 assign ( resid 10 and name HG2# ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 12 and name HD# ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 12 and name HG2# ) ( resid 37 and name H5 ) 4.5 1.6 1.6 !**************************************************************************! !U38 assign ( resid 12 and name HD# ) ( resid 38 and name H5 ) 5.0 2.0 2.0 assign ( resid 12 and name HG2# ) ( resid 38 and name H5 ) 5.0 2.0 2.0 !**************************************************************************! !C39 assign ( resid 12 and name HD# ) ( resid 39 and name H5 ) 5.0 2.0 2.0 assign ( resid 12 and name HG2# ) ( resid 39 and name H5 ) 5.0 2.0 2.0 # Restraints file 2: mds_JB181_072616.tbl !-------------------------------------------------------------------------! !PEPTIDE NOE Table for HIV TAR bound to JB181 peptide, HN assignments from 800MHz waterNOESY (100ms) ! !Updated 072616 mds !RNA, 29mer GGCAGAUCUGAGCCUGGGAGCUCUCUGCC !JB181, 14mer DAB VAL ARG THR ARG LYS GLY ARG ARG ILE NOR ILE DPR PRO !DAB= L-Diamino Butyric Acid !NOR= L-2-Amino-4-guanidinobutyric acid !DPR= D-Proline !!NOTE: If two sterospecific atoms have same intensity used sum averaging with soft square !! !! NOE binning !! !strong 2.5 0.7 0.7 !medium 3.5 1.2 1.2 !weak 4.5 1.6 1.6 !very weak 5.0 2.0 2.0 !TOTAL PEPTIDE NOES = 294 !long range = (i-j > 6) = !short range = (2 > i-j < 5) = !sequential = (i to j) = !intraresidue = (i to i) = !------------------------------------------------------------------------! !!***BACKBONE NOE***!! !HN-HA assign ( resid 1 and name HN ) ( resid 14 and name HA ) 3.5 1.2 1.2 assign ( resid 2 and name HN ) ( resid 1 and name HA ) 2.5 0.7 0.7 assign ( resid 3 and name HN ) ( resid 2 and name HA ) 2.5 0.7 0.7 assign ( resid 4 and name HN ) ( resid 3 and name HA ) 2.5 0.7 0.7 assign ( resid 5 and name HN ) ( resid 4 and name HA ) 2.5 0.7 0.7 assign ( resid 6 and name HN ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 7 and name HN ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 8 and name HN ) ( resid 7 and name HA1 ) 3.5 1.2 1.2 assign ( resid 8 and name HN ) ( resid 7 and name HA2 ) 3.5 1.2 1.2 assign ( resid 9 and name HN ) ( resid 8 and name HA ) 2.5 0.7 0.7 assign ( resid 10 and name HN ) ( resid 9 and name HA ) 2.5 0.7 0.7 assign ( resid 11 and name HN ) ( resid 10 and name HA ) 2.5 0.7 0.7 assign ( resid 12 and name HN ) ( resid 11 and name HA ) 2.5 0.7 0.7 assign ( resid 1 and name HN ) ( resid 1 and name HA ) 3.5 1.2 1.2 assign ( resid 2 and name HN ) ( resid 2 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HN ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 4 and name HN ) ( resid 4 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HN ) ( resid 6 and name HA ) 3.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 7 and name HA1 ) 3.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 7 and name HA2 ) 3.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 8 and name HA ) 3.5 1.6 1.6 assign ( resid 9 and name HN ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 10 and name HA ) 3.5 1.2 1.2 assign ( resid 11 and name HN ) ( resid 11 and name HA ) 3.5 1.2 1.2 assign ( resid 12 and name HN ) ( resid 12 and name HA ) 3.5 1.2 1.2 !HN-HN assign ( resid 1 and name HN ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 2 and name HN ) ( resid 3 and name HN ) 4.5 1.6 1.6 assign ( resid 3 and name HN ) ( resid 4 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HN ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HN ) ( resid 6 and name HN ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 7 and name HN ) 3.5 1.2 1.2 assign ( resid 8 and name HN ) ( resid 9 and name HN ) 4.5 1.6 1.6 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 4.5 1.6 1.6 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 4.5 1.6 1.6 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 4.5 1.6 1.6 !CROSS STRAND HN-HA assign ( resid 12 and name HN ) ( resid 2 and name HA ) 3.5 1.2 1.2 assign ( resid 11 and name HA ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 9 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HN ) ( resid 4 and name HA ) 3.5 1.2 1.2 !CROSS STRAND HN-HN assign ( resid 1 and name HN ) ( resid 12 and name HN ) 3.5 1.2 1.2 assign ( resid 3 and name HN ) ( resid 10 and name HN ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 8 and name HN ) 3.5 1.2 1.2 !CROSS STRAND HA-HA assign ( resid 2 and name HA ) ( resid 11 and name HA ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 9 and name HA ) 3.5 1.2 1.2 !----------------------------------------------------------------------------! !!*** Side Chain NOEs *** !! !DAB 1 assign ( resid 1 and name HN ) ( resid 14 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HN ) ( resid 14 and name HD1 ) 3.5 1.2 1.2 assign ( resid 1 and name HN ) ( resid 14 and name HD2 ) 3.5 1.2 1.2 assign ( resid 1 and name HN ) ( resid 12 and name HG2# ) 4.5 1.6 1.6 assign ( resid 1 and name HN ) ( resid 12 and name HD# ) 4.5 1.6 1.6 assign ( resid 1 and name HN ) ( resid 2 and name HG## ) 4.5 1.6 1.6 assign ( resid 1 and name HN ) ( resid 11 and name HB# ) 4.5 1.6 1.6 assign ( resid 1 and name HB# ) ( resid 1 and name HA ) 2.5 0.7 0.7 !assign ( resid 1 and name HG1 ) ( resid 2 and name HN ) 2.5 0.7 0.7 !assign ( resid 1 and name HG2 ) ( resid 2 and name HN ) 4.5 1.6 1.6 assign ( resid 1 and name HG1 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HG# ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 1 and name HD# ) ( resid 12 and name HD# ) 4.5 1.6 1.6 assign ( resid 1 and name HD# ) ( resid 12 and name HG2# ) 4.5 1.6 1.6 assign ( resid 1 and name HD# ) ( resid 2 and name HG# ) 4.5 1.6 1.6 assign ( resid 1 and name HD# ) ( resid 12 and name HB ) 4.5 1.6 1.6 assign ( resid 1 and name HD# ) ( resid 1 and name HB# ) 3.5 1.2 1.2 assign ( resid 1 and name HD# ) ( resid 2 and name HN ) 4.5 1.6 1.6 !VAL 2 assign ( resid 2 and name HN ) ( resid 1 and name HB1 ) 2.5 0.7 0.7 assign ( resid 2 and name HA ) ( resid 2 and name HB ) 2.5 0.7 0.7 assign ( resid 2 and name HA ) ( resid 2 and name HG## ) 2.5 0.7 0.7 assign ( resid 2 and name HB ) ( resid 2 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB ) ( resid 3 and name HN ) 3.5 1.2 1.2 assign ( resid 2 and name HB ) ( resid 11 and name HD ) 3.5 1.2 1.2 assign ( resid 2 and name HG## ) ( resid 11 and name HD ) 4.5 1.6 1.6 assign ( resid 2 and name HG## ) ( resid 4 and name HA ) 5.0 2.0 2.0 assign ( resid 2 and name HG## ) ( resid 11 and name HG# ) 4.5 1.6 1.6 !ARG 3 assign ( resid 3 and name HN ) ( resid 10 and name HG2# ) 3.5 1.2 1.2 assign ( resid 3 and name HN ) ( resid 10 and name HD# ) 3.5 1.2 1.2 assign ( resid 3 and name HN ) ( resid 10 and name HG12 ) 3.5 1.2 1.2 assign ( resid 3 and name HN ) ( resid 3 and name HG2 ) 4.5 1.6 1.6 assign ( resid 3 and name HN ) ( resid 3 and name HB2 ) 3.5 1.2 1.2 !assign ( resid 3 and name HA ) ( resid 3 and name HE ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 4 and name HB ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 4 and name HG2# ) 4.5 1.6 1.6 assign ( resid 3 and name HA ) ( resid 2 and name HG## ) 4.5 1.6 1.6 assign ( resid 3 and name HB# ) ( resid 3 and name HA ) 2.5 0.7 0.7 assign ( resid 3 and name HB# ) ( resid 3 and name HD# ) 2.5 0.7 0.7 assign ( resid 3 and name HG1 ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HG1 ) ( resid 3 and name HB2 ) 3.5 1.2 1.2 assign ( resid 3 and name HG1 ) ( resid 3 and name HD# ) 2.5 0.7 0.7 assign ( resid 3 and name HG2 ) ( resid 3 and name HA ) 3.5 1.2 1.2 assign ( resid 3 and name HG2 ) ( resid 3 and name HB2 ) 2.5 0.7 0.7 assign ( resid 3 and name HG2 ) ( resid 3 and name HD# ) 2.5 0.7 0.7 assign ( resid 3 and name HD# ) ( resid 3 and name HA ) 4.5 1.6 1.6 !assign ( resid 3 and name HE ) ( resid 3 and name HN ) 4.5 1.6 1.6 !THR 4 assign ( resid 4 and name HN ) ( resid 4 and name HG2# ) 3.5 1.2 1.2 assign ( resid 4 and name HN ) ( resid 5 and name HG2 ) 4.5 1.6 1.6 assign ( resid 4 and name HN ) ( resid 4 and name HB ) 3.5 1.2 1.2 assign ( resid 4 and name HA ) ( resid 4 and name HB ) 2.5 0.7 0.7 assign ( resid 4 and name HA ) ( resid 3 and name HB# ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 3 and name HG2 ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 3 and name HG1 ) 4.5 1.6 1.6 assign ( resid 4 and name HA ) ( resid 10 and name HD# ) 4.5 1.6 1.6 assign ( resid 4 and name HB ) ( resid 4 and name HG2# ) 2.5 0.7 0.7 assign ( resid 4 and name HB ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HB ) ( resid 9 and name HA ) 3.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 4 and name HN ) 3.5 1.2 1.2 assign ( resid 4 and name HG2# ) ( resid 4 and name HA ) 2.5 0.7 0.7 assign ( resid 4 and name HG2# ) ( resid 4 and name HB ) 2.5 0.7 0.7 assign ( resid 4 and name HG2# ) ( resid 7 and name HA1 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 7 and name HA2 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 7 and name HN ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 2 and name HG## ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 9 and name HB2 ) 4.5 1.6 1.6 assign ( resid 4 and name HG2# ) ( resid 9 and name HB1 ) 3.5 1.2 1.2 !ARG 5 assign ( resid 5 and name HN ) ( resid 4 and name HB# ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 8 and name HB2 ) 4.5 1.6 1.6 ! assign ( resid 5 and name HN ) ( resid 10 and name HB ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 8 and name HG1 ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 10 and name HG12 ) 4.5 1.6 1.6 assign ( resid 5 and name HN ) ( resid 4 and name HG2# ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 10 and name HG2# ) 3.5 1.2 1.2 assign ( resid 5 and name HN ) ( resid 10 and name HD# ) 4.5 1.6 1.6 assign ( resid 5 and name HB1 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HB1 ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HB2 ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HB2 ) ( resid 5 and name HD# ) 3.5 1.2 1.2 assign ( resid 5 and name HG2 ) ( resid 5 and name HD# ) 2.5 0.7 0.7 assign ( resid 5 and name HG1 ) ( resid 5 and name HD# ) 2.5 0.7 0.7 assign ( resid 5 and name HG1 ) ( resid 5 and name HB# ) 2.5 0.7 0.7 assign ( resid 5 and name HG1 ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HG1 ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HG2 ) ( resid 5 and name HA ) 3.5 1.2 1.2 assign ( resid 5 and name HD# ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 5 and name HN ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 10 and name HG1# ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 10 and name HG2# ) 3.5 1.2 1.2 assign ( resid 5 and name HE ) ( resid 3 and name HB# ) 4.5 1.6 1.6 ! assign ( resid 5 and name HE ) ( resid 10 and name HB ) 4.5 1.6 1.6 assign ( resid 5 and name HE ) ( resid 5 and name HG2 ) 3.5 1.2 1.2 assign ( resid 5 and name HE ) ( resid 5 and name HG1 ) 4.5 1.2 1.2 !LYS 6 assign ( resid 6 and name HN ) ( resid 4 and name HG2# ) 5.0 2.0 2.0 assign ( resid 6 and name HN ) ( resid 8 and name HG1 ) 4.5 1.6 1.6 assign ( resid 6 and name HN ) ( resid 6 and name HE# ) 5.0 2.0 2.0 assign ( resid 6 and name HN ) ( resid 6 and name HB1 ) 3.5 1.2 1.2 assign ( resid 6 and name HN ) ( resid 6 and name HB2 ) 3.5 1.2 1.2 assign ( resid 6 and name HN ) ( resid 6 and name HG# ) 4.5 1.6 1.6 assign ( resid 6 and name HN ) ( resid 6 and name HD# ) 4.5 1.6 1.6 assign ( resid 6 and name HB1 ) ( resid 6 and name HA ) 2.5 0.7 0.7 assign ( resid 6 and name HB# ) ( resid 6 and name HE# ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 6 and name HA ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HE# ) 4.5 1.6 1.6 assign ( resid 6 and name HG1 ) ( resid 6 and name HE# ) 4.5 1.6 1.6 assign ( resid 6 and name HG2 ) ( resid 6 and name HB# ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HD1 ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 6 and name HD1 ) 3.5 1.2 1.2 assign ( resid 6 and name HG2 ) ( resid 6 and name HD2 ) 3.5 1.2 1.2 assign ( resid 6 and name HG1 ) ( resid 6 and name HD2 ) 3.5 1.2 1.2 assign ( resid 6 and name HD1 ) ( resid 6 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HD2 ) ( resid 6 and name HA ) 4.5 1.6 1.6 assign ( resid 6 and name HD1 ) ( resid 6 and name HE# ) 2.5 0.7 0.7 assign ( resid 6 and name HD2 ) ( resid 6 and name HE# ) 3.5 1.2 1.2 assign ( resid 6 and name HD1 ) ( resid 6 and name HB# ) 3.5 1.2 1.2 assign ( resid 6 and name HD2 ) ( resid 6 and name HB# ) 2.5 0.7 0.7 assign ( resid 6 and name HE# ) ( resid 6 and name HA ) 5.0 2.0 2.0 !assign ( resid 6 and name HE1 ) ( resid 6 and name HN ) 5.0 2.0 2.0 !assign ( resid 6 and name HE1 ) ( resid 6 and name HN ) 5.0 2.0 2.0 !assign ( resid 6 and name HZ1 ) ( resid 6 and name HN ) 4.5 1.6 1.6 !assign ( resid 6 and name HZ1 ) ( resid 6 and name HN ) 5.0 2.0 2.0 !GLY 7 assign ( resid 7 and name HN ) ( resid 4 and name HG2# ) 3.5 1.2 1.2 assign ( resid 7 and name HN ) ( resid 6 and name HD# ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 6 and name HB1 ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 8 and name HG1 ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 6 and name HB2 ) 4.5 1.6 1.6 assign ( resid 7 and name HN ) ( resid 4 and name HB ) 4.5 1.6 1.6 assign ( resid 7 and name HA1 ) ( resid 7 and name HN ) 2.5 0.7 0.7 assign ( resid 7 and name HA2 ) ( resid 7 and name HN ) 2.5 0.7 0.7 assign ( resid 7 and name HA1 ) ( resid 7 and name HA2 ) 2.5 0.7 0.7 assign ( resid 7 and name HA1 ) ( resid 8 and name HN ) 3.5 1.2 1.2 assign ( resid 7 and name HA2 ) ( resid 8 and name HN ) 3.5 1.2 1.2 !ARG 8 assign ( resid 8 and name HN ) ( resid 7 and name HA2 ) 2.5 0.7 0.7 assign ( resid 8 and name HN ) ( resid 4 and name HG2# ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 10 and name HD# ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 10 and name HG2# ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 8 and name HG# ) 3.5 1.2 1.2 assign ( resid 8 and name HN ) ( resid 8 and name HB# ) 3.5 1.2 1.2 assign ( resid 8 and name HN ) ( resid 8 and name HD# ) 4.5 1.6 1.6 assign ( resid 8 and name HN ) ( resid 6 and name HB1 ) 5.0 2.0 2.0 assign ( resid 8 and name HB1 ) ( resid 8 and name HA ) 3.5 1.2 1.2 assign ( resid 8 and name HB2 ) ( resid 8 and name HA ) 3.5 1.2 1.2 assign ( resid 8 and name HB2 ) ( resid 8 and name HD# ) 3.5 1.2 1.2 assign ( resid 8 and name HG1 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HG2 ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HG1 ) ( resid 8 and name HD# ) 3.5 1.2 1.2 assign ( resid 8 and name HG2 ) ( resid 8 and name HD# ) 3.5 1.2 1.2 assign ( resid 8 and name HG1 ) ( resid 8 and name HB2 ) 2.5 0.7 0.7 assign ( resid 8 and name HG2 ) ( resid 8 and name HB2 ) 2.5 0.7 0.7 assign ( resid 8 and name HD# ) ( resid 8 and name HA ) 4.5 1.6 1.6 assign ( resid 8 and name HE ) ( resid 5 and name HD# ) 4.5 1.6 1.6 assign ( resid 8 and name HE ) ( resid 8 and name HD# ) 3.5 1.2 1.2 assign ( resid 8 and name HE ) ( resid 8 and name HB# ) 4.5 1.6 1.6 assign ( resid 8 and name HE ) ( resid 8 and name HG# ) 4.5 1.6 1.6 assign ( resid 8 and name HE ) ( resid 10 and name HG2# ) 4.5 1.6 1.6 assign ( resid 8 and name HE ) ( resid 10 and name HD# ) 4.5 1.6 1.6 !ARG 9 assign ( resid 9 and name HN ) ( resid 10 and name HD# ) 4.5 1.6 1.6 assign ( resid 9 and name HN ) ( resid 10 and name HG2# ) 3.5 1.2 1.2 assign ( resid 9 and name HN ) ( resid 10 and name HG12 ) 4.5 1.6 1.6 assign ( resid 9 and name HB# ) ( resid 9 and name HA ) 3.5 1.2 1.2 assign ( resid 9 and name HB# ) ( resid 9 and name HD# ) 2.5 0.7 0.7 assign ( resid 9 and name HG# ) ( resid 9 and name HD# ) 2.5 0.7 0.7 assign ( resid 9 and name HG1 ) ( resid 9 and name HA ) 4.5 1.6 1.6 assign ( resid 9 and name HG1 ) ( resid 9 and name HD# ) 3.5 1.2 1.2 assign ( resid 9 and name HG1 ) ( resid 9 and name HB2 ) 2.5 0.7 0.7 !assign ( resid 9 and name HG1 ) ( resid 9 and name HB1 ) 2.5 0.7 0.7 !assign ( resid 9 and name HG1 ) ( resid 9 and name HB2 ) 2.5 0.7 0.7 assign ( resid 9 and name HG2 ) ( resid 9 and name HA ) 4.5 1.6 1.6 assign ( resid 9 and name HG2 ) ( resid 9 and name HD# ) 3.5 1.2 1.2 assign ( resid 9 and name HG2 ) ( resid 9 and name HB2 ) 2.5 0.7 0.7 assign ( resid 9 and name HD# ) ( resid 9 and name HA ) 4.5 1.6 1.6 !ILE 10 assign ( resid 10 and name HN ) ( resid 9 and name HB1 ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 9 and name HB2 ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 3 and name HB2 ) 4.5 1.6 1.6 assign ( resid 10 and name HN ) ( resid 3 and name HB1 ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 10 and name HB ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 3 and name HG2 ) 4.5 1.6 1.6 assign ( resid 10 and name HN ) ( resid 10 and name HG12 ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 10 and name HG11 ) 4.5 1.6 1.6 assign ( resid 10 and name HN ) ( resid 10 and name HG2# ) 3.5 1.2 1.2 assign ( resid 10 and name HN ) ( resid 10 and name HD# ) 3.5 1.2 1.2 assign ( resid 10 and name HA ) ( resid 10 and name HB ) 2.5 0.7 0.7 assign ( resid 10 and name HA ) ( resid 10 and name HG2# ) 2.5 0.7 0.7 assign ( resid 10 and name HA ) ( resid 10 and name HG1# ) 3.5 1.2 1.2 assign ( resid 10 and name HA ) ( resid 10 and name HD# ) 3.5 1.2 1.2 !assign ( resid 10 and name HA ) ( resid 12 and name HB ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 12 and name HD# ) 4.5 1.6 1.6 assign ( resid 10 and name HA ) ( resid 12 and name HG2# ) 5.0 2.0 2.0 assign ( resid 10 and name HB ) ( resid 10 and name HG1# ) 2.5 0.7 0.7 assign ( resid 10 and name HB ) ( resid 10 and name HG2# ) 2.5 0.7 0.7 assign ( resid 10 and name HB ) ( resid 10 and name HD# ) 3.5 1.2 1.2 assign ( resid 10 and name HG1# ) ( resid 10 and name HD# ) 2.5 0.7 0.7 assign ( resid 10 and name HG1# ) ( resid 10 and name HG2# ) 2.5 0.7 0.7 assign ( resid 10 and name HG2# ) ( resid 3 and name HD# ) 5.0 2.0 2.0 assign ( resid 10 and name HG2# ) ( resid 4 and name HA ) 4.5 1.6 1.6 assign ( resid 10 and name HG2# ) ( resid 10 and name HD# ) 2.5 0.7 0.7 assign ( resid 10 and name HD# ) ( resid 2 and name HA ) 5.0 2.0 2.0 assign ( resid 10 and name HD# ) ( resid 4 and name HA ) 4.5 1.6 1.6 !NOR 11 assign ( resid 11 and name HB1 ) ( resid 11 and name HA ) 2.5 0.7 0.7 assign ( resid 11 and name HB2 ) ( resid 11 and name HA ) 2.5 0.7 0.7 assign ( resid 11 and name HB1 ) ( resid 11 and name HB2 ) 2.5 0.7 0.7 assign ( resid 11 and name HB1 ) ( resid 11 and name HG2 ) 3.5 1.2 1.2 assign ( resid 11 and name HB2 ) ( resid 11 and name HG2 ) 3.5 1.2 1.2 assign ( resid 11 and name HB1 ) ( resid 11 and name HG1 ) 3.5 1.2 1.2 assign ( resid 11 and name HB2 ) ( resid 11 and name HG1 ) 3.5 1.2 1.2 !assign ( resid 11 and name HB2 ) ( resid 14 and name HA ) 4.5 1.6 1.5 assign ( resid 11 and name HG2 ) ( resid 11 and name HG1 ) 2.5 0.7 0.7 assign ( resid 11 and name HG1 ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 11 and name HG2 ) ( resid 11 and name HA ) 4.5 1.6 1.6 assign ( resid 11 and name HD ) ( resid 11 and name HB1 ) 4.5 1.6 1.6 assign ( resid 11 and name HD ) ( resid 11 and name HB2 ) 4.5 1.6 1.6 assign ( resid 11 and name HD ) ( resid 11 and name HG2 ) 3.5 1.2 1.2 assign ( resid 11 and name HD ) ( resid 11 and name HG1 ) 4.5 1.6 1.6 assign ( resid 11 and name HD ) ( resid 2 and name HB ) 3.5 1.2 1.2 assign ( resid 11 and name HD ) ( resid 2 and name HG## ) 4.5 1.6 1.6 !ILE 12 assign ( resid 12 and name HN ) ( resid 2 and name HB ) 3.5 1.2 1.2 assign ( resid 12 and name HN ) ( resid 2 and name HG# ) 3.5 1.2 1.2 assign ( resid 12 and name HN ) ( resid 12 and name HD# ) 3.5 1.2 1.2 assign ( resid 12 and name HN ) ( resid 12 and name HG2# ) 3.5 1.2 1.2 assign ( resid 12 and name HN ) ( resid 13 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HN ) ( resid 13 and name HD2 ) 4.5 1.6 1.6 assign ( resid 12 and name HN ) ( resid 11 and name HB2 ) 4.5 1.6 1.6 assign ( resid 12 and name HN ) ( resid 11 and name HG1 ) 4.5 1.6 1.6 assign ( resid 12 and name HN ) ( resid 11 and name HG2 ) 4.5 1.6 1.6 assign ( resid 12 and name HB ) ( resid 12 and name HA ) 2.5 0.7 0.7 assign ( resid 12 and name HB ) ( resid 13 and name HD1 ) 4.5 1.6 1.6 assign ( resid 12 and name HG2# ) ( resid 12 and name HA ) 2.5 0.7 0.7 assign ( resid 12 and name HG1# ) ( resid 12 and name HA ) 3.5 1.2 1.2 assign ( resid 12 and name HG2# ) ( resid 12 and name HB ) 2.5 1.0 1.2 assign ( resid 12 and name HG1# ) ( resid 12 and name HB ) 3.5 1.2 1.2 !assign ( resid 12 and name HG21 ) ( resid 13 and name HD1 ) 2.5 0.7 0.7 !assign ( resid 12 and name HG21 ) ( resid 13 and name HD2 ) 3.5 1.2 1.2 assign ( resid 12 and name HG2# ) ( resid 10 and name HG2# ) 4.5 1.6 1.6 assign ( resid 12 and name HG2# ) ( resid 10 and name HB ) 5.0 2.0 2.0 assign ( resid 12 and name HG# ) ( resid 10 and name HA ) 5.0 2.0 2.0 assign ( resid 12 and name HG2# ) ( resid 3 and name HD# ) 5.0 2.0 2.0 assign ( resid 12 and name HD# ) ( resid 2 and name HA ) 5.0 2.0 2.0 assign ( resid 12 and name HD# ) ( resid 3 and name HD# ) 3.5 1.2 1.2 assign ( resid 12 and name HD# ) ( resid 13 and name HD# ) 3.5 1.2 1.2 assign ( resid 12 and name HD# ) ( resid 12 and name HA ) 4.5 1.6 1.6 assign ( resid 12 and name HD# ) ( resid 12 and name HB ) 3.5 1.2 1.2 assign ( resid 12 and name HD# ) ( resid 12 and name HG1# ) 2.5 0.7 0.7 assign ( resid 12 and name HD# ) ( resid 12 and name HG2# ) 2.5 0.7 0.7 !D-PRO 13 assign ( resid 13 and name HA ) ( resid 13 and name HD1 ) 3.5 1.2 1.2 assign ( resid 13 and name HA ) ( resid 13 and name HD2 ) 3.5 1.2 1.2 assign ( resid 13 and name HB2 ) ( resid 13 and name HB1 ) 2.5 0.7 0.7 assign ( resid 13 and name HB2 ) ( resid 13 and name HD1 ) 3.5 1.2 1.2 assign ( resid 13 and name HB2 ) ( resid 13 and name HD2 ) 3.5 1.2 1.2 assign ( resid 13 and name HB1 ) ( resid 13 and name HD1 ) 4.5 1.6 1.6 assign ( resid 13 and name HB1 ) ( resid 13 and name HD2 ) 5.0 2.0 2.0 assign ( resid 13 and name HG1 ) ( resid 13 and name HD1 ) 3.5 1.2 1.2 assign ( resid 13 and name HG1 ) ( resid 13 and name HD2 ) 2.5 0.7 0.7 assign ( resid 13 and name HG2 ) ( resid 13 and name HD2 ) 2.5 0.7 0.7 assign ( resid 13 and name HG2 ) ( resid 13 and name HD1 ) 2.5 0.7 0.7 !PRO 14 assign ( resid 14 and name HA ) ( resid 1 and name HN ) 3.5 1.2 1.2 assign ( resid 14 and name HB2 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 14 and name HB1 ) ( resid 1 and name HA ) 4.5 1.6 1.6 assign ( resid 14 and name HB2 ) ( resid 14 and name HD2 ) 3.2 1.2 1.2 assign ( resid 14 and name HB1 ) ( resid 14 and name HD2 ) 4.5 1.6 1.6 assign ( resid 14 and name HB2 ) ( resid 14 and name HD1 ) 4.5 1.6 1.6 assign ( resid 14 and name HG1 ) ( resid 14 and name HD2 ) 3.5 1.2 1.2 assign ( resid 14 and name HG1 ) ( resid 14 and name HD1 ) 2.5 0.7 0.7 assign ( resid 14 and name HG2 ) ( resid 14 and name HD2 ) 2.5 0.7 0.7 assign ( resid 14 and name HD2 ) ( resid 14 and name HD1 ) 2.5 0.7 0.7 # Restraints file 3: rna_noesy_mds_081116.tbl !-------------------------------------------------------------------------! !RNA NOE Table for HIV TAR bound to JB181 peptide ! !Updated 073016 mds !RNA, 29mer GGCAGAUCUGAGCCUGGGAGCUCUCUGCC !JB181, 14mer DAB VAL ARG THR ARG LYS GLY ARG ARG ILE NOR ILE DPR PRO !DAB= L-Diamino Butyric Acid !NOR= L-2-Amino-4-guanidinobutyric acid !DPR= D-Proline !! NOE binning !! !strong 2.5 0.7 0.7 !medium 3.5 1.2 1.2 !weak 4.5 1.6 1.6 !very weak 5.0 2.0 2.0 !------------------------------------------------------------------------! !!*** H2O NOESY ***!! !******************************************! !! STEM REGIONS G17-A22, G26-C29, G36-C45 !! !******************************************! !G17 assign ( resid 17 and name H1 ) ( resid 18 and name H1 ) 4.5 1.6 1.6 assign ( resid 45 and name H41 ) ( resid 17 and name H1 ) 4.5 1.6 1.6 assign ( resid 45 and name H42 ) ( resid 17 and name H1 ) 4.5 1.6 1.6 !G18 assign ( resid 18 and name H1 ) ( resid 43 and name H1 ) 4.5 1.6 1.6 assign ( resid 18 and name H1 ) ( resid 18 and name H1' ) 4.5 1.6 1.6 assign ( resid 18 and name H1 ) ( resid 18 and name H21 ) 3.5 1.6 1.6 assign ( resid 18 and name H1 ) ( resid 18 and name H22 ) 3.5 1.6 1.6 assign ( resid 19 and name H1' ) ( resid 18 and name H1 ) 3.5 1.6 1.6 assign ( resid 44 and name H42 ) ( resid 18 and name H1 ) 3.5 1.2 1.2 assign ( resid 44 and name H41 ) ( resid 18 and name H1 ) 2.5 0.7 0.7 assign ( resid 45 and name H1' ) ( resid 18 and name H1 ) 3.5 1.6 1.6 assign ( resid 45 and name H5 ) ( resid 18 and name H1 ) 4.5 1.6 1.6 !A22 assign ( resid 22 and name H2 ) ( resid 41 and name H6 ) 4.5 1.6 1.6 assign ( resid 22 and name H2 ) ( resid 22 and name H61 ) 4.5 1.6 1.6 !G21 assign ( resid 21 and name H1 ) ( resid 20 and name H2 ) 3.5 1.2 1.2 assign ( resid 21 and name H1 ) ( resid 22 and name H2 ) 3.5 1.2 1.2 assign ( resid 21 and name H1 ) ( resid 42 and name H3 ) 3.5 1.2 1.2 assign ( resid 21 and name H21 ) ( resid 21 and name H1 ) 3.5 1.2 1.2 assign ( resid 21 and name H22 ) ( resid 21 and name H1 ) 3.5 1.2 1.2 assign ( resid 22 and name H2 ) ( resid 21 and name H1 ) 3.5 1.2 1.2 assign ( resid 22 and name H1' ) ( resid 21 and name H1 ) 3.5 1.2 1.2 assign ( resid 20 and name H2 ) ( resid 21 and name H1 ) 4.5 1.6 1.6 assign ( resid 40 and name H3 ) ( resid 21 and name H1 ) 4.5 1.6 1.6 ! assign ( resid 40 and name H5 ) ( resid 21 and name H1 ) 4.5 1.6 1.6 assign ( resid 41 and name H5 ) ( resid 21 and name H1 ) 4.5 1.6 1.6 assign ( resid 41 and name H42 ) ( resid 21 and name H1 ) 3.5 1.2 1.2 assign ( resid 41 and name H41 ) ( resid 21 and name H1 ) 2.5 0.7 0.7 !C24 !U25 !G26 assign ( resid 22 and name H2 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 assign ( resid 23 and name H5 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 assign ( resid 26 and name H1 ) ( resid 26 and name H21 ) 3.5 1.2 1.2 assign ( resid 26 and name H1 ) ( resid 26 and name H22 ) 3.5 1.2 1.2 assign ( resid 27 and name H2 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 assign ( resid 27 and name H1' ) ( resid 26 and name H1 ) 3.5 1.2 1.2 assign ( resid 38 and name H3 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 ! assign ( resid 38 and name H5 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 assign ( resid 39 and name H6 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 assign ( resid 39 and name H42 ) ( resid 26 and name H1 ) 3.5 1.2 1.2 assign ( resid 39 and name H41 ) ( resid 26 and name H1 ) 2.5 0.7 0.7 assign ( resid 40 and name H3 ) ( resid 26 and name H1 ) 3.5 1.2 1.2 assign ( resid 40 and name H1' ) ( resid 26 and name H1 ) 3.5 1.2 1.2 assign ( resid 40 and name H5 ) ( resid 26 and name H1 ) 4.5 1.6 1.6 !A27 assign ( resid 27 and name H2' ) ( resid 27 and name H1' ) 3.5 1.2 1.2 assign ( resid 27 and name H2' ) ( resid 27 and name H2'') 3.5 1.2 1.2 assign ( resid 27 and name H2' ) ( resid 28 and name H8 ) 3.5 1.2 1.2 assign ( resid 27 and name H2' ) ( resid 28 and name H4' ) 4.5 1.2 1.2 assign ( resid 28 and name H8 ) ( resid 27 and name H62 ) 4.5 1.2 1.2 !G28 ! assign ( resid 23 and name H5 ) ( resid 28 and name H1 ) 4.5 1.6 1.6 assign ( resid 27 and name H61 ) ( resid 28 and name H1 ) 4.5 1.6 1.6 assign ( resid 28 and name H21 ) ( resid 28 and name H1 ) 3.5 1.2 1.2 assign ( resid 28 and name H22 ) ( resid 28 and name H1 ) 3.5 1.2 1.2 assign ( resid 29 and name H42 ) ( resid 28 and name H1 ) 4.5 1.6 1.6 assign ( resid 29 and name H41 ) ( resid 28 and name H1 ) 3.5 1.2 1.2 assign ( resid 29 and name H42 ) ( resid 28 and name H8 ) 4.5 1.6 1.6 assign ( resid 29 and name H1' ) ( resid 28 and name H1 ) 3.5 1.2 1.2 assign ( resid 28 and name H1 ) ( resid 36 and name H1 ) 3.5 1.2 1.2 assign ( resid 28 and name H1 ) ( resid 27 and name H2 ) 3.5 1.2 1.2 assign ( resid 28 and name H1 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 28 and name H1 ) ( resid 28 and name H1' ) 4.5 1.6 1.6 assign ( resid 37 and name H41 ) ( resid 28 and name H1 ) 3.5 1.2 1.2 assign ( resid 37 and name H42 ) ( resid 28 and name H1 ) 4.5 1.6 1.6 assign ( resid 37 and name H5 ) ( resid 28 and name H1 ) 4.5 1.6 1.6 assign ( resid 38 and name H1' ) ( resid 28 and name H1 ) 3.5 1.2 1.2 !C29 assign ( resid 29 and name H41 ) ( resid 29 and name H42 ) 2.5 0.7 0.7 assign ( resid 29 and name H41 ) ( resid 29 and name H5 ) 3.5 1.2 1.2 assign ( resid 29 and name H42 ) ( resid 29 and name H5 ) 3.5 1.2 1.2 assign ( resid 29 and name H41 ) ( resid 37 and name H41 ) 4.5 1.6 1.6 assign ( resid 29 and name H42 ) ( resid 37 and name H41 ) 4.5 1.6 1.6 ! assign ( resid 29 and name H42 ) ( resid 38 and name H6 ) 4.5 1.6 1.6 ! assign ( resid 29 and name H6 ) ( resid 37 and name H42 ) 4.5 1.6 1.6 !G36 assign ( resid 29 and name H1' ) ( resid 36 and name H1 ) 4.5 1.6 1.6 assign ( resid 29 and name H41 ) ( resid 36 and name H1 ) 3.5 1.2 1.2 assign ( resid 30 and name H1' ) ( resid 36 and name H1 ) 3.5 1.2 1.2 assign ( resid 29 and name H42 ) ( resid 36 and name H1 ) 4.5 1.6 1.6 ! assign ( resid 23 and name H5 ) ( resid 36 and name H1 ) 4.5 1.6 1.6 assign ( resid 36 and name H21 ) ( resid 36 and name H1 ) 3.5 1.2 1.2 assign ( resid 36 and name H22 ) ( resid 36 and name H1 ) 3.5 1.2 1.2 assign ( resid 37 and name H1' ) ( resid 36 and name H1 ) 3.5 1.6 1.6 assign ( resid 37 and name H41 ) ( resid 36 and name H1 ) 4.5 1.6 1.6 assign ( resid 37 and name H42 ) ( resid 36 and name H1 ) 4.5 1.6 1.6 !C39 assign ( resid 39 and name H41 ) ( resid 39 and name H6 ) 4.5 1.6 1.6 assign ( resid 39 and name H42 ) ( resid 39 and name H6 ) 3.5 1.2 1.2 !U40 assign ( resid 22 and name H2 ) ( resid 40 and name H3 ) 2.5 0.7 0.7 assign ( resid 22 and name H61 ) ( resid 40 and name H3 ) 3.5 1.2 1.2 assign ( resid 22 and name H62 ) ( resid 40 and name H3 ) 3.5 1.2 1.2 assign ( resid 39 and name H41 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 39 and name H42 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H41 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H42 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H5 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H1' ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 40 and name H1' ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 40 and name H5 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 assign ( resid 39 and name H5 ) ( resid 40 and name H3 ) 4.5 1.6 1.6 !U42 assign ( resid 20 and name H2 ) ( resid 42 and name H3 ) 2.5 0.7 0.7 assign ( resid 20 and name H1' ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 20 and name H61 ) ( resid 42 and name H3 ) 3.5 1.2 1.2 assign ( resid 20 and name H62 ) ( resid 42 and name H3 ) 3.5 1.2 1.2 assign ( resid 21 and name H21 ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 21 and name H1' ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H41 ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H42 ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 41 and name H5 ) ( resid 42 and name H3 ) 4.5 1.6 1.6 assign ( resid 42 and name H3 ) ( resid 43 and name H1 ) 4.5 1.6 1.6 assign ( resid 43 and name H1' ) ( resid 42 and name H3 ) 4.5 1.6 1.6 !G43 assign ( resid 19 and name H42 ) ( resid 43 and name H1 ) 3.5 1.2 1.2 assign ( resid 19 and name H41 ) ( resid 43 and name H1 ) 2.5 0.7 0.7 assign ( resid 43 and name H21 ) ( resid 43 and name H1 ) 3.5 1.2 1.2 assign ( resid 43 and name H22 ) ( resid 43 and name H1 ) 3.5 1.2 1.2 assign ( resid 44 and name H41 ) ( resid 43 and name H1 ) 4.5 1.6 1.6 assign ( resid 44 and name H42 ) ( resid 43 and name H1 ) 4.5 1.6 1.6 !*****************************! ! BASE Triple -U23-A27-U28- ! !*****************************! !U23 assign ( resid 23 and name H3 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 25 and name H5 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 26 and name H1 ) 4.5 1.2 1.2 assign ( resid 23 and name H3 ) ( resid 27 and name H8 ) 2.5 0.7 0.7 assign ( resid 23 and name H3 ) ( resid 27 and name H1' ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 27 and name H8 ) 2.5 0.7 0.7 assign ( resid 23 and name H3 ) ( resid 27 and name H62 ) 3.5 1.2 1.2 assign ( resid 23 and name H3 ) ( resid 27 and name H61 ) 3.5 1.2 1.2 assign ( resid 23 and name H3 ) ( resid 29 and name H42 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 37 and name H41 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 37 and name H42 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 39 and name H41 ) 4.5 1.6 1.6 assign ( resid 23 and name H3 ) ( resid 39 and name H42 ) 4.5 1.6 1.6 !U38 assign ( resid 27 and name H2 ) ( resid 38 and name H3 ) 2.5 0.7 0.7 assign ( resid 27 and name H62 ) ( resid 38 and name H3 ) 3.5 1.2 1.2 assign ( resid 27 and name H61 ) ( resid 38 and name H3 ) 3.5 1.2 1.2 assign ( resid 27 and name H1' ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 37 and name H42 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 37 and name H41 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 38 and name H5 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 38 and name H6 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 38 and name H1' ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 39 and name H42 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 39 and name H41 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 assign ( resid 39 and name H6 ) ( resid 38 and name H3 ) 4.5 1.6 1.6 !***********************! !!Terminal Loop C30-A35!! !***********************! !! Iminios missing/exchange !! !C30 !U31 !G32 !G33 !G34 ! found imino peak in 1D 1H maybe G17? !!-----------------------------------------------------------------------!! !!*** D2O NOESY ***!! !!-----------------------------------------------------------------------!! !!Helical stems!! !*******************! ! Sugar to Base ! !*******************! !H1' to H2 assign ( resid 20 and name H1' ) ( resid 20 and name H2 ) 4.5 1.6 1.6 assign ( resid 21 and name H1' ) ( resid 20 and name H2 ) 3.5 1.2 1.2 assign ( resid 43 and name H1' ) ( resid 20 and name H2 ) 3.5 1.2 1.2 assign ( resid 22 and name H1' ) ( resid 22 and name H2 ) 4.5 1.6 1.6 assign ( resid 26 and name H1' ) ( resid 22 and name H2 ) 4.5 1.6 1.6 assign ( resid 41 and name H1' ) ( resid 22 and name H2 ) 3.5 1.2 1.2 assign ( resid 27 and name H1' ) ( resid 27 and name H2 ) 4.5 1.6 1.6 assign ( resid 28 and name H1' ) ( resid 27 and name H2 ) 3.5 1.2 1.2 assign ( resid 39 and name H1' ) ( resid 27 and name H2 ) 3.5 1.2 1.2 !H1' to H5 assign ( resid 18 and name H1' ) ( resid 19 and name H5 ) 4.5 1.6 1.6 assign ( resid 19 and name H1' ) ( resid 19 and name H5 ) 5.0 3.2 2.0 assign ( resid 36 and name H1' ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 37 and name H1' ) ( resid 37 and name H5 ) 5.0 3.2 2.0 assign ( resid 39 and name H1' ) ( resid 39 and name H5 ) 4.5 1.6 1.6 assign ( resid 43 and name H1' ) ( resid 44 and name H5 ) 4.5 1.6 1.6 !H1' to H6/8 walk assign ( resid 17 and name H1' ) ( resid 17 and name H8 ) 3.5 1.2 1.2 assign ( resid 17 and name H1' ) ( resid 18 and name H8 ) 4.5 1.6 1.6 assign ( resid 18 and name H1' ) ( resid 18 and name H8 ) 3.5 1.2 1.2 assign ( resid 18 and name H1' ) ( resid 19 and name H6 ) 4.5 1.6 1.6 assign ( resid 19 and name H1' ) ( resid 19 and name H6 ) 3.5 1.2 1.2 assign ( resid 19 and name H1' ) ( resid 20 and name H8 ) 4.5 1.6 1.6 assign ( resid 20 and name H1' ) ( resid 20 and name H8 ) 3.5 1.2 1.2 assign ( resid 20 and name H1' ) ( resid 21 and name H8 ) 4.5 1.6 1.6 assign ( resid 21 and name H1' ) ( resid 21 and name H8 ) 3.5 1.2 1.2 assign ( resid 21 and name H1' ) ( resid 22 and name H8 ) 4.5 1.6 1.6 assign ( resid 22 and name H1' ) ( resid 22 and name H8 ) 3.5 1.2 1.2 assign ( resid 22 and name H1' ) ( resid 26 and name H8 ) 3.5 1.2 1.2 assign ( resid 26 and name H1' ) ( resid 26 and name H8 ) 3.5 1.2 1.2 assign ( resid 26 and name H1' ) ( resid 27 and name H8 ) 4.5 1.6 1.6 assign ( resid 27 and name H1' ) ( resid 27 and name H8 ) 3.5 1.2 1.2 assign ( resid 27 and name H1' ) ( resid 28 and name H8 ) 3.5 1.2 1.2 assign ( resid 28 and name H1' ) ( resid 28 and name H8 ) 3.5 1.2 1.2 assign ( resid 28 and name H1' ) ( resid 29 and name H6 ) 4.5 1.6 1.6 assign ( resid 29 and name H1' ) ( resid 29 and name H6 ) 3.5 1.2 1.2 assign ( resid 36 and name H1' ) ( resid 36 and name H8 ) 3.5 1.2 1.2 assign ( resid 36 and name H1' ) ( resid 37 and name H6 ) 4.5 1.6 1.6 assign ( resid 37 and name H1' ) ( resid 37 and name H6 ) 3.5 1.2 1.2 assign ( resid 37 and name H1' ) ( resid 38 and name H6 ) 4.5 1.6 1.6 assign ( resid 38 and name H1' ) ( resid 38 and name H6 ) 3.5 1.2 1.2 assign ( resid 38 and name H1' ) ( resid 39 and name H6 ) 4.5 1.6 1.6 assign ( resid 39 and name H1' ) ( resid 39 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H1' ) ( resid 40 and name H6 ) 4.5 1.6 1.6 assign ( resid 40 and name H1' ) ( resid 40 and name H6 ) 3.5 1.2 1.2 assign ( resid 40 and name H1' ) ( resid 41 and name H6 ) 4.5 1.6 1.6 assign ( resid 41 and name H1' ) ( resid 41 and name H6 ) 3.5 1.2 1.2 assign ( resid 41 and name H1' ) ( resid 42 and name H6 ) 4.5 1.6 1.6 assign ( resid 42 and name H1' ) ( resid 42 and name H6 ) 3.5 1.2 1.2 assign ( resid 42 and name H1' ) ( resid 43 and name H8 ) 4.5 1.6 1.6 assign ( resid 43 and name H1' ) ( resid 43 and name H8 ) 3.5 1.2 1.2 assign ( resid 43 and name H1' ) ( resid 44 and name H6 ) 4.5 1.6 1.6 assign ( resid 44 and name H1' ) ( resid 44 and name H6 ) 3.5 1.2 1.2 assign ( resid 44 and name H1' ) ( resid 45 and name H6 ) 4.5 1.6 1.6 assign ( resid 45 and name H1' ) ( resid 45 and name H6 ) 3.5 1.2 1.2 !H2' to H2/H5 assign ( resid 18 and name H2'' ) ( resid 19 and name H5 ) 3.5 1.2 1.2 assign ( resid 19 and name H2'' ) ( resid 19 and name H5 ) 5.0 3.2 2.0 assign ( resid 20 and name H2'' ) ( resid 20 and name H2 ) 4.5 1.6 1.6 assign ( resid 29 and name H2'' ) ( resid 29 and name H5 ) 5.0 3.2 2.0 assign ( resid 36 and name H2'' ) ( resid 37 and name H5 ) 4.6 1.6 1.6 assign ( resid 37 and name H2'' ) ( resid 38 and name H5 ) 3.5 1.2 1.2 assign ( resid 39 and name H2'' ) ( resid 40 and name H5 ) 3.5 1.2 1.2 assign ( resid 40 and name H2'' ) ( resid 41 and name H5 ) 3.5 1.2 1.2 assign ( resid 41 and name H2'' ) ( resid 41 and name H5 ) 5.0 2.0 2.0 assign ( resid 41 and name H2'' ) ( resid 42 and name H5 ) 3.5 1.2 1.2 assign ( resid 43 and name H2'' ) ( resid 44 and name H5 ) 3.5 1.2 1.2 assign ( resid 44 and name H2'' ) ( resid 45 and name H5 ) 3.5 1.2 1.2 assign ( resid 45 and name H2'' ) ( resid 45 and name H5 ) 5.0 1.0 1.0 !H2' H6/H8 assign ( resid 17 and name H2'' ) ( resid 17 and name H8 ) 3.5 1.2 1.2 assign ( resid 17 and name H2'' ) ( resid 18 and name H8 ) 2.5 0.7 0.7 assign ( resid 18 and name H2'' ) ( resid 18 and name H8 ) 4.5 1.6 1.6 assign ( resid 18 and name H2'' ) ( resid 19 and name H6 ) 2.5 0.7 0.7 assign ( resid 19 and name H2'' ) ( resid 20 and name H8 ) 2.5 0.7 0.7 assign ( resid 20 and name H2'' ) ( resid 20 and name H8 ) 4.5 1.6 1.6 assign ( resid 20 and name H2'' ) ( resid 21 and name H8 ) 2.5 0.7 0.7 assign ( resid 21 and name H2'' ) ( resid 21 and name H8 ) 4.5 1.6 1.6 assign ( resid 21 and name H2'' ) ( resid 22 and name H8 ) 2.5 0.7 0.7 assign ( resid 22 and name H2'' ) ( resid 22 and name H8 ) 4.5 1.6 1.6 assign ( resid 26 and name H2'' ) ( resid 26 and name H8 ) 4.5 1.6 1.6 assign ( resid 26 and name H2'' ) ( resid 27 and name H8 ) 2.5 0.7 0.7 assign ( resid 27 and name H2'' ) ( resid 27 and name H8 ) 5.0 3.2 2.0 assign ( resid 27 and name H2'' ) ( resid 28 and name H8 ) 2.5 0.7 0.7 assign ( resid 28 and name H2'' ) ( resid 28 and name H8 ) 5.0 3.2 2.0 assign ( resid 28 and name H2'' ) ( resid 29 and name H6 ) 2.5 0.7 0.7 assign ( resid 36 and name H2'' ) ( resid 37 and name H6 ) 3.5 1.6 1.6 assign ( resid 37 and name H2'' ) ( resid 38 and name H6 ) 2.5 0.7 0.7 assign ( resid 38 and name H2'' ) ( resid 39 and name H6 ) 2.5 0.7 0.7 assign ( resid 39 and name H2'' ) ( resid 39 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H2'' ) ( resid 40 and name H6 ) 2.5 0.7 0.7 assign ( resid 40 and name H2'' ) ( resid 40 and name H6 ) 4.5 1.6 1.6 assign ( resid 40 and name H2'' ) ( resid 41 and name H6 ) 2.5 0.7 0.7 assign ( resid 41 and name H2'' ) ( resid 41 and name H6 ) 4.5 1.6 1.6 assign ( resid 41 and name H2'' ) ( resid 42 and name H6 ) 2.5 0.7 0.7 assign ( resid 42 and name H2'' ) ( resid 42 and name H6 ) 4.5 1.6 1.6 assign ( resid 43 and name H2'' ) ( resid 43 and name H8 ) 5.0 2.0 2.0 assign ( resid 43 and name H2'' ) ( resid 44 and name H6 ) 2.5 0.7 0.7 assign ( resid 44 and name H2'' ) ( resid 45 and name H6 ) 2.5 0.7 0.7 assign ( resid 45 and name H2'' ) ( resid 45 and name H6 ) 2.5 1.0 1.0 ! H3' to H5/H2 assign ( resid 18 and name H3' ) ( resid 19 and name H5 ) 3.5 1.2 1.2 assign ( resid 19 and name H3' ) ( resid 19 and name H5 ) 4.5 1.6 1.6 assign ( resid 36 and name H3' ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 37 and name H3' ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 39 and name H3' ) ( resid 39 and name H5 ) 4.5 1.6 1.6 assign ( resid 39 and name H3' ) ( resid 40 and name H5 ) 3.5 1.2 1.2 assign ( resid 40 and name H3' ) ( resid 41 and name H5 ) 3.5 1.2 1.2 assign ( resid 41 and name H3' ) ( resid 42 and name H5 ) 4.5 1.6 1.6 assign ( resid 42 and name H3' ) ( resid 42 and name H5 ) 5.0 2.0 2.0 assign ( resid 43 and name H3' ) ( resid 44 and name H5 ) 3.5 1.2 1.2 ! H3' to H6/H8 assign ( resid 17 and name H3' ) ( resid 17 and name H8 ) 3.5 1.2 1.2 assign ( resid 17 and name H3' ) ( resid 18 and name H8 ) 3.5 1.2 1.2 assign ( resid 19 and name H3' ) ( resid 19 and name H6 ) 4.5 1.6 1.6 assign ( resid 19 and name H3' ) ( resid 20 and name H8 ) 3.5 1.2 1.2 assign ( resid 20 and name H3' ) ( resid 20 and name H8 ) 3.5 1.2 1.2 assign ( resid 20 and name H3' ) ( resid 21 and name H8 ) 3.5 1.2 1.2 assign ( resid 21 and name H3' ) ( resid 21 and name H8 ) 3.5 1.2 1.2 assign ( resid 21 and name H3' ) ( resid 22 and name H8 ) 3.5 1.2 1.2 assign ( resid 22 and name H3' ) ( resid 22 and name H8 ) 3.5 1.2 1.2 assign ( resid 22 and name H3' ) ( resid 26 and name H8 ) 5.0 3.2 2.0 assign ( resid 26 and name H3' ) ( resid 26 and name H8 ) 3.5 1.2 1.2 assign ( resid 26 and name H3' ) ( resid 27 and name H8 ) 3.5 1.2 1.2 assign ( resid 27 and name H3' ) ( resid 27 and name H8 ) 5.0 3.2 2.0 assign ( resid 28 and name H3' ) ( resid 28 and name H8 ) 4.5 1.6 1.6 assign ( resid 28 and name H3' ) ( resid 29 and name H6 ) 4.5 1.6 1.6 assign ( resid 37 and name H3' ) ( resid 37 and name H6 ) 3.5 1.2 1.2 assign ( resid 37 and name H3' ) ( resid 38 and name H6 ) 3.5 1.2 1.2 assign ( resid 38 and name H3' ) ( resid 39 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H3' ) ( resid 39 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H3' ) ( resid 40 and name H6 ) 3.5 1.2 1.2 assign ( resid 41 and name H3' ) ( resid 42 and name H6 ) 4.5 1.6 1.6 assign ( resid 42 and name H3' ) ( resid 42 and name H6 ) 3.5 1.2 1.2 assign ( resid 42 and name H3' ) ( resid 43 and name H8 ) 3.5 1.2 1.2 assign ( resid 43 and name H3' ) ( resid 43 and name H8 ) 3.5 1.2 1.2 assign ( resid 44 and name H3' ) ( resid 44 and name H6 ) 3.5 1.2 1.2 assign ( resid 45 and name H3' ) ( resid 45 and name H6 ) 3.5 1.2 1.2 ! H4' to H2 ! H4' to H5 ! assign ( resid 29 and name H4' ) ( resid 29 and name H5 ) 5.0 3.2 2.0 ! H4' to H6/H8 assign ( resid 17 and name H4' ) ( resid 17 and name H8 ) 4.5 1.6 1.6 assign ( resid 19 and name H4' ) ( resid 19 and name H6 ) 4.5 1.6 1.6 assign ( resid 22 and name H4' ) ( resid 22 and name H8 ) 4.5 2.7 1.0 assign ( resid 22 and name H4' ) ( resid 26 and name H8 ) 5.0 3.2 2.0 assign ( resid 29 and name H4' ) ( resid 29 and name H6 ) 5.0 3.2 2.0 assign ( resid 37 and name H4' ) ( resid 37 and name H6 ) 4.5 1.6 1.6 assign ( resid 38 and name H4' ) ( resid 38 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H4' ) ( resid 39 and name H6 ) 4.5 1.6 1.6 assign ( resid 40 and name H4' ) ( resid 40 and name H6 ) 5.0 3.2 2.0 assign ( resid 42 and name H4' ) ( resid 42 and name H6 ) 4.5 1.6 1.6 assign ( resid 43 and name H4' ) ( resid 43 and name H8 ) 3.5 1.2 1.2 assign ( resid 44 and name H4' ) ( resid 44 and name H6 ) 5.0 2.0 2.0 assign ( resid 45 and name H4' ) ( resid 45 and name H6 ) 4.5 1.6 1.6 ! H5'/5'' to H2 ! H5'/5'' to H5 ! assign ( resid 39 and name H5'' ) ( resid 39 and name H5 ) 5.0 2.0 2.0 assign ( resid 39 and name H5'' ) ( resid 40 and name H5 ) 5.0 2.0 2.0 assign ( resid 45 and name H5'' ) ( resid 45 and name H5 ) 5.0 2.0 2.0 assign ( resid 45 and name H5' ) ( resid 45 and name H5 ) 5.0 2.0 2.0 ! H5'/5'' to H6/H8 assign ( resid 17 and name H5' ) ( resid 17 and name H8 ) 4.5 1.6 1.6 assign ( resid 17 and name H5'' ) ( resid 17 and name H8 ) 4.5 1.6 1.6 assign ( resid 19 and name H5' ) ( resid 19 and name H6 ) 4.5 1.6 1.6 assign ( resid 20 and name H5' ) ( resid 20 and name H8 ) 5.0 2.0 2.0 assign ( resid 20 and name H5'' ) ( resid 20 and name H8 ) 5.0 2.0 2.0 assign ( resid 21 and name H5'' ) ( resid 21 and name H8 ) 3.5 1.2 1.2 assign ( resid 27 and name H5' ) ( resid 27 and name H8 ) 4.5 1.6 1.6 assign ( resid 27 and name H5'' ) ( resid 27 and name H8 ) 4.5 1.6 1.6 assign ( resid 29 and name H5' ) ( resid 29 and name H6 ) 4.5 1.6 1.6 assign ( resid 38 and name H5'' ) ( resid 38 and name H6 ) 5.0 3.2 2.0 assign ( resid 39 and name H5' ) ( resid 39 and name H6 ) 3.5 1.2 1.2 assign ( resid 39 and name H5'' ) ( resid 39 and name H6 ) 4.5 1.6 1.6 assign ( resid 41 and name H5' ) ( resid 41 and name H6 ) 5.0 2.0 2.0 assign ( resid 41 and name H5'' ) ( resid 41 and name H6 ) 5.0 2.0 2.0 assign ( resid 43 and name H5' ) ( resid 43 and name H8 ) 5.0 2.0 2.0 assign ( resid 44 and name H5' ) ( resid 44 and name H6 ) 5.0 2.0 2.0 assign ( resid 45 and name H5' ) ( resid 45 and name H6 ) 5.0 2.0 2.0 !******************! ! Base to Base ! !******************! !H5 to H5 assign ( resid 39 and name H5 ) ( resid 40 and name H5 ) 4.5 1.6 1.6 !H5 to H6 assign ( resid 19 and name H5 ) ( resid 19 and name H6 ) 2.5 0.7 0.7 assign ( resid 29 and name H5 ) ( resid 29 and name H6 ) 2.5 0.7 0.7 assign ( resid 37 and name H5 ) ( resid 37 and name H6 ) 2.5 0.7 0.7 assign ( resid 38 and name H5 ) ( resid 38 and name H6 ) 2.5 0.7 0.7 assign ( resid 39 and name H5 ) ( resid 39 and name H6 ) 2.5 0.7 0.7 assign ( resid 40 and name H5 ) ( resid 40 and name H6 ) 2.5 0.7 0.7 assign ( resid 41 and name H5 ) ( resid 41 and name H6 ) 2.5 0.7 0.7 assign ( resid 42 and name H5 ) ( resid 42 and name H6 ) 2.5 0.7 0.7 assign ( resid 44 and name H5 ) ( resid 44 and name H6 ) 2.5 0.7 0.7 assign ( resid 45 and name H5 ) ( resid 45 and name H6 ) 2.5 0.7 0.7 !H5 to H6/H8 assign ( resid 19 and name H5 ) ( resid 20 and name H8 ) 4.5 1.6 1.6 assign ( resid 28 and name H8 ) ( resid 29 and name H5 ) 5.0 2.0 2.0 assign ( resid 29 and name H6 ) ( resid 30 and name H5 ) 4.5 1.6 1.6 assign ( resid 36 and name H8 ) ( resid 37 and name H5 ) 4.5 1.6 1.6 assign ( resid 39 and name H6 ) ( resid 40 and name H5 ) 4.5 1.6 1.6 assign ( resid 40 and name H6 ) ( resid 41 and name H5 ) 4.5 1.6 1.6 assign ( resid 41 and name H6 ) ( resid 42 and name H5 ) 4.5 1.6 1.6 assign ( resid 43 and name H8 ) ( resid 42 and name H5 ) 4.5 1.6 1.6 !H6/8 to H6/H8 assign ( resid 17 and name H8 ) ( resid 18 and name H8 ) 4.5 1.6 1.6 assign ( resid 19 and name H6 ) ( resid 20 and name H8 ) 4.5 1.6 1.6 assign ( resid 20 and name H8 ) ( resid 21 and name H8 ) 4.5 1.6 1.6 assign ( resid 21 and name H8 ) ( resid 22 and name H8 ) 4.5 1.6 1.6 assign ( resid 36 and name H8 ) ( resid 37 and name H6 ) 4.5 1.6 1.6 assign ( resid 38 and name H6 ) ( resid 39 and name H6 ) 4.5 1.6 1.6 assign ( resid 39 and name H6 ) ( resid 40 and name H6 ) 4.5 1.6 1.6 assign ( resid 42 and name H6 ) ( resid 43 and name H8 ) 4.5 1.6 1.6 assign ( resid 43 and name H8 ) ( resid 44 and name H6 ) 4.5 1.6 1.6 !H5/6/8 to H2 assign ( resid 22 and name H2 ) ( resid 26 and name H8 ) 4.5 1.6 1.6 assign ( resid 27 and name H2 ) ( resid 28 and name H8 ) 4.5 1.6 1.6 !********************! ! Sugar to Sugar ! !********************! !H1' to H2' assign ( resid 17 and name H2'' ) ( resid 17 and name H1' ) 2.5 0.7 0.7 assign ( resid 17 and name H2'' ) ( resid 18 and name H1' ) 4.5 1.6 1.6 assign ( resid 18 and name H2'' ) ( resid 18 and name H1' ) 2.5 0.7 0.7 assign ( resid 18 and name H2'' ) ( resid 19 and name H1' ) 4.5 1.6 1.6 assign ( resid 19 and name H2'' ) ( resid 19 and name H1' ) 2.5 0.7 0.7 assign ( resid 19 and name H2'' ) ( resid 20 and name H1' ) 4.5 1.6 1.6 assign ( resid 20 and name H2'' ) ( resid 20 and name H1' ) 2.5 0.7 0.7 assign ( resid 20 and name H2'' ) ( resid 21 and name H1' ) 4.5 1.6 1.6 assign ( resid 21 and name H2'' ) ( resid 21 and name H1' ) 2.5 0.7 0.7 assign ( resid 21 and name H2'' ) ( resid 22 and name H1' ) 4.5 1.6 1.6 assign ( resid 22 and name H2'' ) ( resid 22 and name H1' ) 2.5 0.7 0.7 assign ( resid 26 and name H2'' ) ( resid 26 and name H1' ) 2.5 0.7 0.7 assign ( resid 26 and name H2'' ) ( resid 27 and name H1' ) 4.5 1.6 1.6 assign ( resid 27 and name H2'' ) ( resid 27 and name H1' ) 2.5 0.7 0.7 assign ( resid 28 and name H2'' ) ( resid 28 and name H1' ) 2.5 0.7 0.7 assign ( resid 28 and name H2'' ) ( resid 29 and name H1' ) 4.5 1.6 1.6 assign ( resid 29 and name H2'' ) ( resid 29 and name H1' ) 2.5 0.7 0.7 assign ( resid 36 and name H2'' ) ( resid 36 and name H1' ) 2.5 0.7 0.7 assign ( resid 36 and name H2'' ) ( resid 37 and name H1' ) 4.5 1.6 1.6 assign ( resid 37 and name H2'' ) ( resid 37 and name H1' ) 2.5 0.7 0.7 assign ( resid 37 and name H2'' ) ( resid 38 and name H1' ) 4.5 1.6 1.6 assign ( resid 38 and name H2'' ) ( resid 38 and name H1' ) 2.5 0.7 0.7 assign ( resid 38 and name H2'' ) ( resid 39 and name H1' ) 4.5 1.6 1.6 assign ( resid 39 and name H2'' ) ( resid 39 and name H1' ) 2.5 0.7 0.7 assign ( resid 40 and name H2'' ) ( resid 40 and name H1' ) 2.5 0.7 0.7 assign ( resid 41 and name H2'' ) ( resid 41 and name H1' ) 2.5 0.7 0.7 assign ( resid 41 and name H2'' ) ( resid 42 and name H1' ) 4.5 1.6 1.6 assign ( resid 42 and name H2'' ) ( resid 42 and name H1' ) 2.5 0.7 0.7 assign ( resid 42 and name H2'' ) ( resid 43 and name H1' ) 4.5 1.6 1.6 assign ( resid 43 and name H2'' ) ( resid 43 and name H1' ) 2.5 0.7 0.7 assign ( resid 43 and name H2'' ) ( resid 44 and name H1' ) 5.0 2.0 2.0 assign ( resid 44 and name H2'' ) ( resid 44 and name H1' ) 2.5 0.7 0.7 assign ( resid 44 and name H2'' ) ( resid 45 and name H1' ) 4.5 1.6 1.6 assign ( resid 45 and name H2'' ) ( resid 45 and name H1' ) 2.5 0.7 0.7 !H1' to H3' assign ( resid 17 and name H3' ) ( resid 17 and name H1' ) 4.5 1.6 1.6 assign ( resid 18 and name H3' ) ( resid 18 and name H1' ) 3.5 1.2 1.2 assign ( resid 19 and name H3' ) ( resid 19 and name H1' ) 3.5 1.2 1.2 assign ( resid 20 and name H3' ) ( resid 20 and name H1' ) 3.5 1.2 1.2 assign ( resid 21 and name H3' ) ( resid 21 and name H1' ) 4.5 1.6 1.6 assign ( resid 22 and name H3' ) ( resid 22 and name H1' ) 4.5 1.6 1.6 assign ( resid 26 and name H3' ) ( resid 26 and name H1' ) 3.5 1.2 1.2 assign ( resid 27 and name H3' ) ( resid 27 and name H1' ) 5.0 3.2 2.0 assign ( resid 28 and name H3' ) ( resid 28 and name H1' ) 4.5 1.6 1.6 assign ( resid 29 and name H3' ) ( resid 29 and name H1' ) 4.5 1.6 1.6 assign ( resid 36 and name H3' ) ( resid 36 and name H1' ) 4.5 1.6 1.6 assign ( resid 37 and name H3' ) ( resid 37 and name H1' ) 4.5 1.6 1.6 assign ( resid 39 and name H3' ) ( resid 39 and name H1' ) 3.5 1.2 1.2 assign ( resid 40 and name H3' ) ( resid 40 and name H1' ) 3.5 1.2 1.2 assign ( resid 43 and name H3' ) ( resid 43 and name H1' ) 3.5 1.2 1.2 assign ( resid 44 and name H3' ) ( resid 44 and name H1' ) 4.5 1.6 1.6 assign ( resid 45 and name H3' ) ( resid 45 and name H1' ) 3.5 1.2 1.2 !H1' to H4' assign ( resid 17 and name H4' ) ( resid 17 and name H1' ) 3.5 1.2 1.2 assign ( resid 18 and name H4' ) ( resid 18 and name H1' ) 3.5 1.2 1.2 assign ( resid 19 and name H4' ) ( resid 19 and name H1' ) 3.5 1.2 1.2 assign ( resid 20 and name H4' ) ( resid 20 and name H1' ) 3.5 1.2 1.2 assign ( resid 21 and name H4' ) ( resid 21 and name H1' ) 4.5 1.6 1.6 assign ( resid 22 and name H4' ) ( resid 22 and name H1' ) 4.5 1.6 1.6 assign ( resid 27 and name H4' ) ( resid 27 and name H1' ) 5.0 3.2 2.0 assign ( resid 29 and name H4' ) ( resid 29 and name H1' ) 4.5 1.6 1.6 assign ( resid 36 and name H4' ) ( resid 36 and name H1' ) 4.5 1.6 1.6 assign ( resid 38 and name H4' ) ( resid 38 and name H1' ) 3.5 1.2 1.2 assign ( resid 39 and name H4' ) ( resid 39 and name H1' ) 3.5 1.2 1.2 assign ( resid 43 and name H4' ) ( resid 43 and name H1' ) 3.5 1.2 1.2 assign ( resid 44 and name H4' ) ( resid 44 and name H1' ) 3.5 1.2 1.2 assign ( resid 45 and name H4' ) ( resid 45 and name H1' ) 4.5 1.6 1.6 !H1' to H5'/H5'' assign ( resid 17 and name H5'' ) ( resid 17 and name H1' ) 5.0 3.2 2.0 assign ( resid 18 and name H5' ) ( resid 18 and name H1' ) 5.0 3.2 2.0 assign ( resid 20 and name H5'' ) ( resid 20 and name H1' ) 5.0 2.0 2.0 assign ( resid 22 and name H5'' ) ( resid 22 and name H1' ) 5.0 2.0 2.0 assign ( resid 29 and name H5' ) ( resid 29 and name H1' ) 5.0 3.2 2.0 assign ( resid 29 and name H5'' ) ( resid 29 and name H1' ) 5.0 3.2 2.0 assign ( resid 36 and name H5' ) ( resid 36 and name H1' ) 5.0 3.2 2.0 assign ( resid 38 and name H5' ) ( resid 38 and name H1' ) 5.0 3.2 2.0 assign ( resid 38 and name H5'' ) ( resid 38 and name H1' ) 5.0 3.2 2.0 assign ( resid 39 and name H5' ) ( resid 39 and name H1' ) 4.5 1.6 1.6 assign ( resid 39 and name H5'' ) ( resid 39 and name H1' ) 4.5 1.6 1.6 assign ( resid 41 and name H5'' ) ( resid 41 and name H1' ) 5.0 2.0 2.0 assign ( resid 41 and name H5' ) ( resid 41 and name H1' ) 5.0 2.0 2.0 assign ( resid 43 and name H5' ) ( resid 43 and name H1' ) 5.0 2.0 2.0 assign ( resid 45 and name H5'' ) ( resid 45 and name H1' ) 5.0 2.0 2.0 assign ( resid 45 and name H5' ) ( resid 45 and name H1' ) 5.0 2.0 2.0 !H2' to H3' ! all missing??? H2'-H3' should be med/strong in 3' endo?? !H2' to H4' ! all missing??? H2'-H4' should be weak/med in 3' endo?? !H2' to H5'/H5'' ! all missing??? H2'-H5'/H5'' should be weak in 3' endo?? !H3' to H4' ! all missing??? H2'-H5'/H5'' should be weak in 3' endo?? !H3' to H5'/H5'' ! all missing??? H2'-H5'/H5'' should be weak in 3' endo?? !H4' to H5'/H5'' ! all missing??? H2'-H5'/H5'' should be weak in 3' endo?? !**************! ! UCU Bulge ! !**************! !!U23!! assign ( resid 22 and name H2'' ) ( resid 23 and name H1' ) 4.5 1.6 1.6 !assign ( resid 22 and name H3' ) ( resid 23 and name H1' ) 5.0 2.0 2.0 !assign ( resid 22 and name H4' ) ( resid 23 and name H1' ) 5.0 2.0 2.0 assign ( resid 23 and name H5 ) ( resid 23 and name H6 ) 2.5 0.7 0.7 assign ( resid 23 and name H6 ) ( resid 22 and name H2 ) 4.5 1.6 1.6 assign ( resid 23 and name H1' ) ( resid 26 and name H8 ) 3.5 1.2 1.2 assign ( resid 23 and name H2'' ) ( resid 23 and name H1' ) 2.5 0.7 0.7 assign ( resid 23 and name H3' ) ( resid 23 and name H1' ) 3.5 1.2 1.2 assign ( resid 23 and name H4' ) ( resid 23 and name H1' ) 4.5 1.6 1.6 assign ( resid 23 and name H5'' ) ( resid 23 and name H1' ) 5.0 3.2 2.0 assign ( resid 23 and name H5'' ) ( resid 23 and name H6 ) 3.5 1.2 1.2 assign ( resid 26 and name H2'' ) ( resid 23 and name H1' ) 3.5 1.2 1.2 assign ( resid 26 and name H3' ) ( resid 23 and name H1' ) 3.5 1.2 1.2 !!C24!! assign ( resid 24 and name H5 ) ( resid 24 and name H6 ) 2.5 0.7 0.7 ! assign ( resid 24 and name H6 ) ( resid 25 and name H6 ) 4.5 1.6 1.6 assign ( resid 24 and name H1' ) ( resid 24 and name H6 ) 4.5 1.6 1.6 !! overlap with H5/H6 !! assign ( resid 24 and name H2'' ) ( resid 24 and name H1' ) 2.5 0.7 0.7 !assign ( resid 24 and name H2'' ) ( resid 25 and name H1' ) 5.0 2.0 2.0 assign ( resid 24 and name H3' ) ( resid 24 and name H1' ) 4.5 1.6 1.6 assign ( resid 24 and name H5' ) ( resid 24 and name H1' ) 4.6 1.2 1.2 assign ( resid 24 and name H3' ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 24 and name H4' ) ( resid 24 and name H6 ) 4.5 1.6 1.6 assign ( resid 24 and name H5'' ) ( resid 24 and name H6 ) 3.5 1.2 1.2 ! assign ( resid 25 and name H5' ) ( resid 24 and name H1' ) 5.0 2.0 2.0 !!U25!! assign ( resid 25 and name H5 ) ( resid 25 and name H6 ) 2.5 0.7 0.7 assign ( resid 25 and name H1' ) ( resid 25 and name H6 ) 2.5 0.7 0.7 assign ( resid 25 and name H2'' ) ( resid 25 and name H1' ) 2.5 0.7 0.7 assign ( resid 25 and name H3' ) ( resid 25 and name H1' ) 4.5 1.6 1.6 assign ( resid 25 and name H5' ) ( resid 25 and name H1' ) 5.0 2.0 2.0 assign ( resid 25 and name H5'' ) ( resid 25 and name H1' ) 4.5 1.6 1.6 assign ( resid 25 and name H3' ) ( resid 25 and name H6 ) 4.5 1.6 1.6 !****************! ! Terminal loop ! !****************! !C30 assign ( resid 29 and name H6 ) ( resid 30 and name H6 ) 4.5 1.6 1.6 assign ( resid 29 and name H1' ) ( resid 30 and name H6 ) 4.5 1.6 1.6 assign ( resid 29 and name H2'' ) ( resid 30 and name H6 ) 3.5 1.6 1.6 assign ( resid 29 and name H3' ) ( resid 30 and name H6 ) 3.5 1.6 1.6 ! assign ( resid 29 and name H5'' ) ( resid 30 and name H6 ) 4.5 1.6 1.6 ! assign ( resid 29 and name H5' ) ( resid 30 and name H6 ) 4.5 1.6 1.6 assign ( resid 30 and name H5 ) ( resid 30 and name H6 ) 2.5 0.7 0.7 assign ( resid 30 and name H2'' ) ( resid 30 and name H1' ) 2.5 0.7 0.7 assign ( resid 30 and name H2'' ) ( resid 30 and name H6 ) 3.5 1.2 1.2 assign ( resid 30 and name H2'' ) ( resid 31 and name H5 ) 5.0 2.0 2.0 assign ( resid 30 and name H2'' ) ( resid 31 and name H6 ) 3.5 1.2 1.2 assign ( resid 30 and name H2'' ) ( resid 31 and name H1' ) 5.0 2.0 2.0 assign ( resid 30 and name H3' ) ( resid 30 and name H1' ) 5.0 3.2 2.0 assign ( resid 30 and name H4' ) ( resid 30 and name H1' ) 5.0 3.2 2.0 assign ( resid 30 and name H5' ) ( resid 30 and name H1' ) 5.0 3.2 2.0 assign ( resid 30 and name H5'' ) ( resid 30 and name H6 ) 5.0 3.2 2.0 !U31 ! assign ( resid 29 and name H6 ) ( resid 31 and name H6 ) 4.5 1.6 1.6 assign ( resid 31 and name H5 ) ( resid 31 and name H6 ) 2.5 0.7 0.7 assign ( resid 31 and name H2'' ) ( resid 31 and name H1' ) 2.5 0.7 0.7 assign ( resid 31 and name H2'' ) ( resid 31 and name H5 ) 4.5 1.6 1.6 assign ( resid 31 and name H2'' ) ( resid 31 and name H6 ) 2.5 0.7 0.7 assign ( resid 31 and name H3' ) ( resid 31 and name H5 ) 5.0 2.0 2.0 !G32 assign ( resid 32 and name H8 ) ( resid 30 and name H2' ) 4.5 1.6 1.6 assign ( resid 32 and name H8 ) ( resid 31 and name H2' ) 4.5 1.6 1.6 assign ( resid 32 and name H1' ) ( resid 33 and name H8 ) 4.5 1.6 1.6 assign ( resid 32 and name H2'' ) ( resid 32 and name H8 ) 3.5 1.2 1.2 assign ( resid 32 and name H4' ) ( resid 32 and name H8 ) 5.0 3.2 2.0 assign ( resid 32 and name H5' ) ( resid 32 and name H8 ) 4.5 1.6 1.6 assign ( resid 32 and name H5'' ) ( resid 32 and name H8 ) 4.5 1.6 1.6 assign ( resid 32 and name H2'' ) ( resid 32 and name H1' ) 2.5 0.7 0.7 assign ( resid 32 and name H4' ) ( resid 32 and name H1' ) 5.0 3.2 2.0 assign ( resid 32 and name H5' ) ( resid 32 and name H1' ) 4.5 1.6 1.6 assign ( resid 32 and name H5'' ) ( resid 32 and name H1' ) 4.5 1.6 1.6 !G33 assign ( resid 33 and name H2'' ) ( resid 33 and name H1' ) 2.5 0.7 0.7 assign ( resid 33 and name H4' ) ( resid 33 and name H1' ) 3.5 1.2 1.2 assign ( resid 33 and name H5'' ) ( resid 33 and name H1' ) 4.5 1.6 1.6 assign ( resid 33 and name H1' ) ( resid 34 and name H8 ) 4.5 1.6 1.6 !G34 assign ( resid 34 and name H1' ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 34 and name H1' ) ( resid 35 and name H8 ) 5.0 2.0 2.0 assign ( resid 34 and name H1' ) ( resid 36 and name H8 ) 3.5 1.2 1.2 assign ( resid 34 and name H2'' ) ( resid 34 and name H8 ) 3.5 1.2 1.2 assign ( resid 34 and name H3' ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 34 and name H4' ) ( resid 34 and name H8 ) 4.5 1.6 1.6 assign ( resid 34 and name H5' ) ( resid 34 and name H8 ) 5.0 3.2 3.2 ! assign ( resid 34 and name H8 ) ( resid 35 and name H8 ) 4.5 1.6 1.6 assign ( resid 34 and name H8 ) ( resid 36 and name H8 ) 4.5 1.6 1.6 assign ( resid 34 and name H2'' ) ( resid 34 and name H1' ) 2.5 0.7 0.7 assign ( resid 34 and name H3' ) ( resid 34 and name H1' ) 5.0 3.2 2.0 assign ( resid 34 and name H4' ) ( resid 34 and name H1' ) 4.5 1.6 1.6 assign ( resid 34 and name H5' ) ( resid 34 and name H1' ) 5.0 3.2 3.2 !A35 assign ( resid 35 and name H8 ) ( resid 36 and name H8 ) 4.5 1.6 1.6 !assign ( resid 35 and name H2 ) ( resid ?? and name H8 ) 4.5 1.6 1.6 !assign ( resid 35 and name H2 ) ( resid ?? and name H6 ) 4.5 1.6 1.6 !assign ( resid 31 and name H1' ) ( resid 35 and name H2 ) 4.5 1.6 1.6 !assign ( resid ?? and name H1' ) ( resid 35 and name H2 ) 3.5 1.2 1.2 assign ( resid 35 and name H1' ) ( resid 35 and name H8 ) 2.5 0.7 0.7 assign ( resid 35 and name H1' ) ( resid 36 and name H8 ) 4.5 1.6 1.6 assign ( resid 35 and name H1' ) ( resid 35 and name H2'') 4.5 1.6 1.6 assign ( resid 35 and name H1' ) ( resid 35 and name H3' ) 4.5 1.6 1.6 assign ( resid 35 and name H2'' ) ( resid 35 and name H8 ) 4.5 1.6 1.6 assign ( resid 35 and name H3' ) ( resid 35 and name H8 ) 4.5 1.6 1.6 assign ( resid 35 and name H4' ) ( resid 35 and name H1' ) 3.5 1.2 1.2 assign ( resid 35 and name H5' ) ( resid 35 and name H1' ) 4.5 1.6 1.6 assign ( resid 35 and name H5'' ) ( resid 35 and name H1' ) 4.5 1.6 1.6
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