NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
27422 | 2rmk | 11010 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1611} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 1145 and name HA )) 3.100 1.200 1.200 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.88665E-03 ppm1 0.809 ppm2 4.162 CV 1 ASSI { 1643} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1140 and name HG2 )) 3.400 1.400 1.400 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.56788E-03 ppm1 0.631 ppm2 1.640 CV 1 OR { 1643} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1140 and name HD2 )) ASSI { 3234} ( segid " " and resid 64 and name HE% ) ( segid " " and resid 1137 and name HG2%) 3.400 1.500 1.500 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.50217E-03 ppm1 6.796 ppm2 0.838 CV 1 ASSI {12449} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 1166 and name HB% ) 2.700 0.900 0.900 peak 12449 spectrum 1 weight 0.10000E+01 volume 0.21842E-02 ppm1 0.892 ppm2 1.552 CV 1 ASSI {12450} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 1165 and name HG2%) 2.800 1.000 1.000 peak 12450 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 0.892 ppm2 1.226 CV 1 ASSI {12451} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 115 and name HG1 )) 3.200 3.200 2.800 peak 12451 spectrum 1 weight 0.10000E+01 volume 0.71795E-03 ppm1 3.931 ppm2 5.142 CV 1 OR {12451} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 115 and name HG1 )) ASSI {12457} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 1169 and name HG1 )) 3.300 1.400 1.400 peak 12457 spectrum 1 weight 0.10000E+01 volume 0.61202E-03 ppm1 0.785 ppm2 2.409 CV 1 ASSI {12459} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 1165 and name HG2%) 2.700 0.900 0.900 peak 12459 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 0.777 ppm2 1.235 CV 1 ASSI {12460} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 25 and name HG1 )) 3.200 1.200 1.200 peak 12460 spectrum 1 weight 0.10000E+01 volume 0.80523E-03 ppm1 1.072 ppm2 4.225 CV 1 ASSI {12468} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HG1 )) 2.800 1.000 1.000 peak 12468 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 1.154 ppm2 4.248 CV 1 ASSI {12474} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 115 and name HG1 )) 3.500 3.500 2.500 peak 12474 spectrum 1 weight 0.10000E+01 volume 0.47079E-03 ppm1 1.706 ppm2 5.132 CV 1 ASSI {12479} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 24 and name HG1 )) 3.200 1.300 1.300 peak 12479 spectrum 1 weight 0.10000E+01 volume 0.69343E-03 ppm1 0.836 ppm2 4.197 CV 1 ASSI {12480} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 1145 and name HB% ) 2.900 1.000 1.000 peak 12480 spectrum 1 weight 0.10000E+01 volume 0.14065E-02 ppm1 0.811 ppm2 1.544 CV 1 ASSI { 1471} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 1166 and name HB% ) 2.800 1.000 1.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 0.785 ppm2 1.569 CV 1 ASSI { 1499} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 22 and name HG )) 3.300 1.300 1.300 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.67773E-03 ppm1 0.982 ppm2 5.096 CV 1 ASSI { 1604} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 157 and name HG )) 3.100 1.200 1.200 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.84643E-03 ppm1 0.713 ppm2 1.191 CV 1 ASSI { 3209} (( segid " " and resid 187 and name HG1 )) ( segid " " and resid 1164 and name HD2%) 3.300 1.300 1.300 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 1.558 ppm2 0.875 CV 1 OR { 3209} (( segid " " and resid 187 and name HG2 )) ( segid " " and resid 1164 and name HD2%) ASSI {10595} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 193 and name H1 )) 3.300 1.400 1.400 peak 10595 spectrum 1 weight 0.10000E+01 volume 0.63752E-03 ppm1 0.439 ppm2 12.748 CV 1 ASSI {12437} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 81 and name HG )) 3.400 1.400 1.400 peak 12437 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 0.356 ppm2 1.422 CV 1 ASSI {12440} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 1169 and name HG1 )) 3.400 1.400 1.400 peak 12440 spectrum 1 weight 0.10000E+01 volume 0.52081E-03 ppm1 0.811 ppm2 2.409 CV 1 ASSI {12441} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 1169 and name HB2 )) 3.400 1.400 1.400 peak 12441 spectrum 1 weight 0.10000E+01 volume 0.52473E-03 ppm1 0.810 ppm2 2.202 CV 1 ASSI {12442} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 1169 and name HE% ) 2.800 2.800 3.200 peak 12442 spectrum 1 weight 0.10000E+01 volume 0.15977E-02 ppm1 0.809 ppm2 2.023 CV 1 ASSI {12455} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 6 and name HG )) 3.400 1.400 1.400 peak 12455 spectrum 1 weight 0.10000E+01 volume 0.55807E-03 ppm1 0.774 ppm2 1.061 CV 1 ASSI {12456} (( segid " " and resid 70 and name HG )) ( segid " " and resid 1169 and name HE% ) 3.500 1.500 1.500 peak 12456 spectrum 1 weight 0.10000E+01 volume 0.47373E-03 ppm1 1.696 ppm2 2.014 CV 1 ASSI {12462} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 6 and name HG )) 3.400 1.400 1.400 peak 12462 spectrum 1 weight 0.10000E+01 volume 0.52277E-03 ppm1 0.219 ppm2 1.069 CV 1 ASSI {12463} ( segid " " and resid 79 and name HD2%) (( segid " " and resid 6 and name HG )) 3.400 1.500 1.500 peak 12463 spectrum 1 weight 0.10000E+01 volume 0.50511E-03 ppm1 0.282 ppm2 1.064 CV 1 ASSI {12464} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 6 and name HG )) 3.000 1.100 1.100 peak 12464 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 0.569 ppm2 1.080 CV 1 ASSI {12465} (( segid " " and resid 70 and name HG )) (( segid " " and resid 1162 and name HB1 )) 3.400 3.400 2.600 peak 12465 spectrum 1 weight 0.10000E+01 volume 0.55318E-03 ppm1 1.685 ppm2 0.845 CV 1 ASSI {12469} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 6 and name HG )) 3.200 1.300 1.300 peak 12469 spectrum 1 weight 0.10000E+01 volume 0.70225E-03 ppm1 0.950 ppm2 1.096 CV 1 ASSI {12476} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 81 and name HG )) 3.200 1.300 1.300 peak 12476 spectrum 1 weight 0.10000E+01 volume 0.70225E-03 ppm1 0.954 ppm2 1.443 CV 1 ASSI {12482} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 1141 and name HG1%) 3.100 3.100 2.900 peak 12482 spectrum 1 weight 0.10000E+01 volume 0.94748E-03 ppm1 0.624 ppm2 0.883 CV 1 ASSI { 1912} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 67 and name HB1 )) 3.200 1.300 1.300 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.80229E-03 ppm1 2.007 ppm2 1.603 CV 1 OR { 1912} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 67 and name HB2 )) ASSI { 1996} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 61 and name HG )) 3.300 3.300 2.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.63850E-03 ppm1 0.771 ppm2 1.954 CV 1 OR { 1996} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 61 and name HB2 )) ASSI { 6720} ( segid " " and resid 1165 and name HG2%) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 6720 spectrum 1 weight 0.10000E+01 volume 0.70029E-03 ppm1 1.217 ppm2 3.925 CV 1 ASSI { 9989} ( segid " " and resid 1141 and name HG2%) ( segid " " and resid 64 and name HE% ) 3.200 1.300 1.300 peak 9989 spectrum 1 weight 0.10000E+01 volume 0.69245E-03 ppm1 0.980 ppm2 6.823 CV 1 ASSI { 3409} (( segid " " and resid 161 and name HG1 )) (( segid " " and resid 162 and name HN )) 2.500 0.800 0.800 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.19651E-02 ppm1 5.209 ppm2 7.331 CV 1 ASSI { 3422} (( segid " " and resid 158 and name HN )) (( segid " " and resid 161 and name HG1 )) 2.900 1.000 1.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.94478E-03 ppm1 8.354 ppm2 5.207 CV 1 ASSI { 3433} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG )) 2.400 0.700 0.700 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.29854E-02 ppm1 7.423 ppm2 6.111 CV 1 ASSI { 5017} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 118 and name HN )) 2.500 0.800 0.800 peak 5017 spectrum 1 weight 0.10000E+01 volume 0.21372E-02 ppm1 12.767 ppm2 8.456 CV 1 ASSI { 5021} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 160 and name HN )) 2.500 0.800 0.800 peak 5021 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 12.767 ppm2 7.361 CV 1 ASSI { 8861} (( segid " " and resid 6 and name HN )) (( segid " " and resid 56 and name HE1 )) 2.400 0.700 0.700 peak 8861 spectrum 1 weight 0.10000E+01 volume 0.25567E-02 ppm1 9.316 ppm2 10.457 CV 1 ASSI { 8871} (( segid " " and resid 27 and name HN )) (( segid " " and resid 22 and name HG )) 2.800 2.800 3.200 peak 8871 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 7.607 ppm2 5.082 CV 1 ASSI { 8884} (( segid " " and resid 91 and name HN )) (( segid " " and resid 94 and name HN )) 2.500 2.500 3.500 peak 8884 spectrum 1 weight 0.10000E+01 volume 0.22308E-02 ppm1 8.162 ppm2 6.338 CV 1 ASSI { 8887} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HN )) 2.200 0.600 0.600 peak 8887 spectrum 1 weight 0.10000E+01 volume 0.50712E-02 ppm1 7.355 ppm2 9.307 CV 1 ASSI { 8896} (( segid " " and resid 117 and name HN )) (( segid " " and resid 159 and name HN )) 2.800 1.000 1.000 peak 8896 spectrum 1 weight 0.10000E+01 volume 0.10414E-02 ppm1 8.271 ppm2 9.303 CV 1 ASSI { 573} (( segid " " and resid 52 and name HD21)) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 6.567 ppm2 9.135 CV 1 ASSI { 3198} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG )) 2.700 0.900 0.900 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 7.705 ppm2 6.117 CV 1 ASSI { 3413} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HG1 )) 2.700 0.900 0.900 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.15033E-02 ppm1 8.052 ppm2 5.208 CV 1 ASSI { 3418} (( segid " " and resid 163 and name HN )) (( segid " " and resid 161 and name HG1 )) 2.400 0.700 0.700 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 7.849 ppm2 5.208 CV 1 ASSI { 3419} (( segid " " and resid 159 and name HN )) (( segid " " and resid 193 and name H22 )) 2.500 2.500 3.500 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.22518E-02 ppm1 9.303 ppm2 6.721 CV 1 ASSI { 3436} (( segid " " and resid 83 and name HN )) (( segid " " and resid 89 and name HG )) 2.300 0.700 0.700 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.32148E-02 ppm1 8.298 ppm2 6.111 CV 1 ASSI { 3442} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 53 and name HN )) 2.400 0.700 0.700 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.27077E-02 ppm1 7.322 ppm2 9.134 CV 1 ASSI { 5002} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 97 and name HE1 )) 2.800 1.000 1.000 peak 5002 spectrum 1 weight 0.10000E+01 volume 0.10354E-02 ppm1 10.264 ppm2 11.581 CV 1 ASSI { 5018} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 159 and name HN )) 2.800 1.000 1.000 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 12.769 ppm2 9.307 CV 1 ASSI { 5022} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 193 and name H22 )) 2.300 0.700 0.700 peak 5022 spectrum 1 weight 0.10000E+01 volume 0.35921E-02 ppm1 12.768 ppm2 6.724 CV 1 ASSI { 5026} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 161 and name HN )) 2.600 2.600 3.400 peak 5026 spectrum 1 weight 0.10000E+01 volume 0.16964E-02 ppm1 12.766 ppm2 8.059 CV 1 ASSI { 5027} (( segid " " and resid 193 and name H1 )) (( segid " " and resid 117 and name HN )) 2.800 1.000 1.000 peak 5027 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 12.763 ppm2 8.269 CV 1 ASSI { 5035} (( segid " " and resid 142 and name HN )) (( segid " " and resid 154 and name HH )) 2.400 0.700 0.700 peak 5035 spectrum 1 weight 0.10000E+01 volume 0.29008E-02 ppm1 8.078 ppm2 10.802 CV 1 ASSI { 5986} (( segid " " and resid 54 and name HN )) (( segid " " and resid 6 and name HN )) 2.100 2.100 3.900 peak 5986 spectrum 1 weight 0.10000E+01 volume 0.61157E-02 ppm1 9.463 ppm2 9.318 CV 1 ASSI { 8849} (( segid " " and resid 1163 and name HN )) ( segid " " and resid 1152 and name HE% ) 2.400 2.400 3.600 peak 8849 spectrum 1 weight 0.10000E+01 volume 0.27892E-02 ppm1 7.729 ppm2 6.657 CV 1 ASSI { 8852} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HD21)) 2.500 0.800 0.800 peak 8852 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 8.082 ppm2 6.661 CV 1 ASSI { 8855} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HD21)) 2.600 2.600 3.400 peak 8855 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 7.957 ppm2 6.657 CV 1 ASSI { 8857} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 92 and name HD21)) 2.100 0.500 0.500 peak 8857 spectrum 1 weight 0.10000E+01 volume 0.62514E-02 ppm1 10.266 ppm2 6.657 CV 1 ASSI { 8859} (( segid " " and resid 77 and name HN )) (( segid " " and resid 5 and name HN )) 2.700 2.700 3.300 peak 8859 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 7.363 ppm2 10.471 CV 1 ASSI { 8863} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG1 )) 2.100 0.500 0.500 peak 8863 spectrum 1 weight 0.10000E+01 volume 0.67888E-02 ppm1 7.334 ppm2 5.518 CV 1 ASSI { 8864} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 22 and name HG )) 2.000 0.500 0.500 peak 8864 spectrum 1 weight 0.10000E+01 volume 0.73382E-02 ppm1 7.201 ppm2 5.081 CV 1 ASSI { 8866} (( segid " " and resid 162 and name HE21)) (( segid " " and resid 22 and name HG )) 2.400 0.700 0.700 peak 8866 spectrum 1 weight 0.10000E+01 volume 0.28435E-02 ppm1 6.529 ppm2 5.080 CV 1 ASSI { 8868} (( segid " " and resid 160 and name HN )) (( segid " " and resid 22 and name HG )) 2.600 2.600 3.400 peak 8868 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 7.328 ppm2 5.082 CV 1 ASSI { 8875} (( segid " " and resid 154 and name HH )) (( segid " " and resid 143 and name HN )) 2.700 0.900 0.900 peak 8875 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 10.802 ppm2 7.808 CV 1 ASSI { 8880} (( segid " " and resid 193 and name H8 )) (( segid " " and resid 193 and name H2' )) 2.600 2.600 3.400 peak 8880 spectrum 1 weight 0.10000E+01 volume 0.15908E-02 ppm1 8.079 ppm2 4.954 CV 1 ASSI { 8888} (( segid " " and resid 55 and name HN )) (( segid " " and resid 6 and name HN )) 2.400 2.400 3.600 peak 8888 spectrum 1 weight 0.10000E+01 volume 0.30065E-02 ppm1 8.758 ppm2 9.312 CV 1 ASSI { 8903} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 1.900 0.500 0.500 peak 8903 spectrum 1 weight 0.10000E+01 volume 0.10634E-01 ppm1 8.748 ppm2 6.881 CV 1 ASSI { 8912} (( segid " " and resid 193 and name H8 )) (( segid " " and resid 193 and name H1' )) 2.000 2.000 4.000 peak 8912 spectrum 1 weight 0.10000E+01 volume 0.91342E-02 ppm1 8.079 ppm2 5.979 CV 1 ASSI { 8913} (( segid " " and resid 193 and name H4' )) (( segid " " and resid 193 and name H1' )) 2.300 2.300 3.700 peak 8913 spectrum 1 weight 0.10000E+01 volume 0.38517E-02 ppm1 4.290 ppm2 5.980 CV 1 ASSI { 8914} (( segid " " and resid 193 and name H3' )) (( segid " " and resid 193 and name H1' )) 2.300 2.300 3.700 peak 8914 spectrum 1 weight 0.10000E+01 volume 0.35891E-02 ppm1 4.115 ppm2 5.981 CV 1 ASSI { 8917} (( segid " " and resid 193 and name H2' )) (( segid " " and resid 193 and name H1' )) 2.100 2.100 3.900 peak 8917 spectrum 1 weight 0.10000E+01 volume 0.57021E-02 ppm1 4.961 ppm2 5.980 CV 1 ASSI { 8918} (( segid " " and resid 138 and name HG1 )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 8918 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 5.301 ppm2 7.163 CV 1 ASSI {12674} (( segid " " and resid 158 and name HG )) (( segid " " and resid 193 and name H1 )) 2.500 0.800 0.800 peak 12674 spectrum 1 weight 0.10000E+01 volume 0.20557E-02 ppm1 6.987 ppm2 12.763 CV 1 ASSI { 478} (( segid " " and resid 110 and name HN )) (( segid " " and resid 152 and name HN )) 2.800 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.21671E-02 ppm1 8.554 ppm2 9.024 CV 1 ASSI { 2027} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 3.700 1.700 1.700 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.36819E-03 ppm1 9.310 ppm2 8.754 CV 1 ASSI { 2125} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HN )) 2.400 0.700 0.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.47549E-02 ppm1 7.192 ppm2 8.124 CV 1 ASSI { 2215} (( segid " " and resid 173 and name HN )) (( segid " " and resid 176 and name HN )) 3.700 1.800 1.800 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.34189E-03 ppm1 7.584 ppm2 7.194 CV 1 ASSI { 2264} (( segid " " and resid 171 and name HN )) (( segid " " and resid 168 and name HN )) 3.500 1.500 1.500 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.52423E-03 ppm1 8.257 ppm2 7.067 CV 1 ASSI { 2279} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.20934E-02 ppm1 8.046 ppm2 7.744 CV 1 ASSI { 2430} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HN )) 2.400 0.700 0.700 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.49127E-02 ppm1 7.847 ppm2 7.337 CV 1 ASSI { 2637} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 97 and name HN )) 3.800 1.800 1.800 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.33137E-03 ppm1 11.575 ppm2 7.841 CV 1 ASSI { 2644} (( segid " " and resid 160 and name HN )) (( segid " " and resid 193 and name H22 )) 2.900 1.100 1.100 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.14991E-02 ppm1 7.367 ppm2 6.726 CV 1 ASSI { 2676} (( segid " " and resid 160 and name HN )) (( segid " " and resid 163 and name HN )) 3.400 3.400 2.600 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.57332E-03 ppm1 7.371 ppm2 7.843 CV 1 ASSI { 2712} (( segid " " and resid 159 and name HN )) (( segid " " and resid 193 and name H22 )) 3.300 1.300 1.300 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.77144E-03 ppm1 9.307 ppm2 6.719 CV 1 OR { 2712} (( segid " " and resid 159 and name HN )) (( segid " " and resid 193 and name H21 )) ASSI { 2720} (( segid " " and resid 158 and name HN )) (( segid " " and resid 164 and name HN )) 3.300 1.400 1.400 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.69955E-03 ppm1 8.358 ppm2 9.033 CV 1 ASSI { 2762} (( segid " " and resid 158 and name HN )) (( segid " " and resid 161 and name HN )) 3.600 1.700 1.700 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.40325E-03 ppm1 8.355 ppm2 8.051 CV 1 ASSI { 2763} (( segid " " and resid 157 and name HN )) (( segid " " and resid 158 and name HN )) 3.300 1.400 1.400 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 9.017 ppm2 8.334 CV 1 ASSI { 2771} (( segid " " and resid 158 and name HN )) (( segid " " and resid 163 and name HE )) 3.500 1.600 1.600 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.49793E-03 ppm1 8.360 ppm2 6.733 CV 1 ASSI { 2786} (( segid " " and resid 168 and name HN )) (( segid " " and resid 170 and name HN )) 2.900 1.100 1.100 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 7.046 ppm2 8.118 CV 1 ASSI { 2865} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HN )) 3.000 1.100 1.100 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 7.325 ppm2 7.811 CV 1 ASSI { 2867} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HN )) 2.700 0.900 0.900 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.25580E-02 ppm1 7.481 ppm2 7.806 CV 1 ASSI { 2877} (( segid " " and resid 128 and name HN )) (( segid " " and resid 131 and name HN )) 3.400 3.400 2.600 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.59611E-03 ppm1 7.994 ppm2 7.744 CV 1 ASSI { 2889} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HN )) 2.400 0.700 0.700 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.52090E-02 ppm1 7.713 ppm2 7.509 CV 1 ASSI { 2979} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HG1 )) 3.500 1.500 1.500 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.55578E-03 ppm1 8.433 ppm2 6.892 CV 1 ASSI { 2993} (( segid " " and resid 137 and name HN )) (( segid " " and resid 85 and name HN )) 3.600 1.600 1.600 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.45059E-03 ppm1 8.685 ppm2 7.392 CV 1 ASSI { 3021} (( segid " " and resid 118 and name HN )) (( segid " " and resid 193 and name H22 )) 2.800 0.900 0.900 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.21881E-02 ppm1 8.454 ppm2 6.727 CV 1 ASSI { 3024} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 2.300 0.700 0.700 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.56490E-02 ppm1 8.463 ppm2 7.986 CV 1 ASSI { 3028} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 2.400 0.700 0.700 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.52984E-02 ppm1 8.431 ppm2 7.985 CV 1 ASSI { 3033} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 2.500 0.800 0.800 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.40851E-02 ppm1 8.772 ppm2 8.427 CV 1 ASSI { 3038} (( segid " " and resid 122 and name HN )) (( segid " " and resid 126 and name HN )) 3.200 1.300 1.300 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.92397E-03 ppm1 7.151 ppm2 8.450 CV 1 ASSI { 3042} (( segid " " and resid 122 and name HN )) (( segid " " and resid 125 and name HN )) 3.500 1.600 1.600 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.47514E-03 ppm1 7.159 ppm2 7.991 CV 1 ASSI { 3050} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 2.300 0.600 0.600 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.68605E-02 ppm1 8.346 ppm2 7.988 CV 1 ASSI { 3055} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HN )) 3.000 1.100 1.100 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 7.296 ppm2 7.827 CV 1 ASSI { 3059} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HN )) 2.900 1.000 1.000 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 7.136 ppm2 8.458 CV 1 ASSI { 3071} (( segid " " and resid 119 and name HN )) (( segid " " and resid 193 and name H22 )) 3.300 1.400 1.400 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.68202E-03 ppm1 7.822 ppm2 6.727 CV 1 OR { 3071} (( segid " " and resid 119 and name HN )) (( segid " " and resid 193 and name H21 )) ASSI { 3077} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 2.400 0.700 0.700 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.53282E-02 ppm1 7.829 ppm2 7.141 CV 1 ASSI { 3094} (( segid " " and resid 118 and name HN )) (( segid " " and resid 159 and name HN )) 3.600 1.700 1.700 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.41026E-03 ppm1 8.463 ppm2 9.317 CV 1 ASSI { 3099} (( segid " " and resid 117 and name HN )) (( segid " " and resid 193 and name H22 )) 3.400 1.400 1.400 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.66098E-03 ppm1 8.272 ppm2 6.733 CV 1 ASSI { 3143} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HN )) 3.900 1.900 1.900 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.28578E-03 ppm1 8.300 ppm2 6.897 CV 1 ASSI { 3158} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.400 0.700 0.700 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.47478E-02 ppm1 6.338 ppm2 7.815 CV 1 ASSI { 3184} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HG )) 3.600 1.600 1.600 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.43130E-03 ppm1 7.880 ppm2 6.123 CV 1 ASSI { 3187} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HG )) 3.100 1.200 1.200 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 8.163 ppm2 6.117 CV 1 ASSI { 3218} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 3.100 1.200 1.200 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 8.702 ppm2 7.356 CV 1 ASSI { 3245} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HN )) 3.700 1.700 1.700 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.35766E-03 ppm1 8.953 ppm2 7.718 CV 1 ASSI { 3311} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.33190E-02 ppm1 8.097 ppm2 7.580 CV 1 ASSI { 3313} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.500 0.800 0.800 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.39677E-02 ppm1 8.859 ppm2 7.759 CV 1 ASSI { 3314} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HN )) 3.500 1.600 1.600 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.48566E-03 ppm1 8.855 ppm2 8.110 CV 1 ASSI { 3315} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.600 0.900 0.900 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 7.292 ppm2 7.938 CV 1 ASSI { 3316} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.700 0.900 0.900 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.23985E-02 ppm1 7.292 ppm2 8.813 CV 1 ASSI { 3317} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 3.700 1.700 1.700 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.39799E-03 ppm1 7.290 ppm2 9.420 CV 1 ASSI { 3357} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 7.932 ppm2 8.804 CV 1 ASSI { 5029} (( segid " " and resid 52 and name HD21)) (( segid " " and resid 42 and name HN )) 3.700 1.700 1.700 peak 5029 spectrum 1 weight 0.10000E+01 volume 0.38571E-03 ppm1 6.563 ppm2 8.803 CV 1 ASSI { 9471} (( segid " " and resid 170 and name HN )) (( segid " " and resid 172 and name HN )) 3.100 1.200 1.200 peak 9471 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 8.115 ppm2 7.913 CV 1 ASSI {11164} (( segid " " and resid 138 and name HN )) (( segid " " and resid 142 and name HN )) 3.100 3.100 2.900 peak 11164 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 7.831 ppm2 8.048 CV 1 ASSI {11183} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HN )) 2.500 0.800 0.800 peak 11183 spectrum 1 weight 0.10000E+01 volume 0.41570E-02 ppm1 8.054 ppm2 7.864 CV 1 ASSI {11186} (( segid " " and resid 84 and name HN )) (( segid " " and resid 86 and name HN )) 3.600 1.600 1.600 peak 11186 spectrum 1 weight 0.10000E+01 volume 0.46637E-03 ppm1 8.873 ppm2 7.683 CV 1 ASSI {11188} (( segid " " and resid 43 and name HN )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 11188 spectrum 1 weight 0.10000E+01 volume 0.30683E-03 ppm1 8.504 ppm2 9.133 CV 1 ASSI {11189} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 27 and name HN )) 3.500 1.600 1.600 peak 11189 spectrum 1 weight 0.10000E+01 volume 0.48916E-03 ppm1 7.199 ppm2 7.575 CV 1 ASSI {11192} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HG1 )) 3.000 3.000 3.000 peak 11192 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 7.763 ppm2 4.187 CV 1 ASSI {12665} (( segid " " and resid 158 and name HN )) (( segid " " and resid 162 and name HN )) 3.000 1.100 1.100 peak 12665 spectrum 1 weight 0.10000E+01 volume 0.12887E-02 ppm1 8.356 ppm2 7.364 CV 1 ASSI {12672} (( segid " " and resid 117 and name HN )) (( segid " " and resid 157 and name HG )) 3.200 3.200 2.800 peak 12672 spectrum 1 weight 0.10000E+01 volume 0.90118E-03 ppm1 8.270 ppm2 1.123 CV 1 ASSI {12673} (( segid " " and resid 117 and name HN )) (( segid " " and resid 161 and name HG1 )) 3.600 1.700 1.700 peak 12673 spectrum 1 weight 0.10000E+01 volume 0.41026E-03 ppm1 8.272 ppm2 5.194 CV 1 ASSI {12680} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 12680 spectrum 1 weight 0.10000E+01 volume 0.41728E-03 ppm1 7.324 ppm2 8.546 CV 1 ASSI {12682} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 42 and name HN )) 3.800 1.800 1.800 peak 12682 spectrum 1 weight 0.10000E+01 volume 0.29980E-03 ppm1 7.345 ppm2 8.804 CV 1 ASSI {12687} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG1 )) 2.700 0.900 0.900 peak 12687 spectrum 1 weight 0.10000E+01 volume 0.23318E-02 ppm1 7.524 ppm2 4.222 CV 1 ASSI {12692} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG )) 2.800 1.000 1.000 peak 12692 spectrum 1 weight 0.10000E+01 volume 0.20373E-02 ppm1 7.501 ppm2 1.027 CV 1 ASSI { 549} (( segid " " and resid 81 and name HN )) (( segid " " and resid 9 and name HN )) 3.800 1.800 1.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.31734E-03 ppm1 8.860 ppm2 8.690 CV 1 ASSI { 846} (( segid " " and resid 142 and name HN )) (( segid " " and resid 138 and name HG1 )) 3.700 1.700 1.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.36819E-03 ppm1 8.078 ppm2 5.296 CV 1 ASSI { 1015} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HN )) 2.700 2.700 3.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.23582E-02 ppm1 8.310 ppm2 7.990 CV 1 ASSI { 1350} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 3.200 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.90995E-03 ppm1 9.008 ppm2 7.829 CV 1 ASSI { 1598} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 92 and name HD21)) 3.900 1.900 1.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.27702E-03 ppm1 11.579 ppm2 6.652 CV 1 ASSI { 1756} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 25 and name HN )) 3.800 1.800 1.800 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.31208E-03 ppm1 7.198 ppm2 8.068 CV 1 ASSI { 2091} (( segid " " and resid 178 and name HN )) (( segid " " and resid 175 and name HN )) 3.300 3.300 2.700 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 8.173 ppm2 7.777 CV 1 ASSI { 2093} (( segid " " and resid 178 and name HN )) (( segid " " and resid 176 and name HN )) 2.700 2.700 3.300 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.26825E-02 ppm1 8.173 ppm2 7.191 CV 1 ASSI { 2122} (( segid " " and resid 177 and name HN )) (( segid " " and resid 175 and name HN )) 3.100 1.200 1.200 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 8.106 ppm2 7.779 CV 1 ASSI { 2124} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 2.700 0.900 0.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.22933E-02 ppm1 7.191 ppm2 7.775 CV 1 ASSI { 2151} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HN )) 3.100 1.200 1.200 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.97653E-03 ppm1 7.777 ppm2 7.580 CV 1 ASSI { 2159} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HN )) 2.700 0.900 0.900 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.24826E-02 ppm1 7.776 ppm2 8.417 CV 1 ASSI { 2168} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HN )) 3.200 1.300 1.300 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.90293E-03 ppm1 8.420 ppm2 7.191 CV 1 ASSI { 2171} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HN )) 2.600 0.800 0.800 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.30244E-02 ppm1 8.419 ppm2 7.580 CV 1 ASSI { 2202} (( segid " " and resid 174 and name HN )) (( segid " " and resid 177 and name HN )) 3.400 1.500 1.500 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.59261E-03 ppm1 8.424 ppm2 8.148 CV 1 ASSI { 2206} (( segid " " and resid 174 and name HN )) (( segid " " and resid 171 and name HN )) 3.500 1.500 1.500 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.55929E-03 ppm1 8.422 ppm2 8.225 CV 1 ASSI { 2220} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HN )) 3.200 1.300 1.300 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.94152E-03 ppm1 7.585 ppm2 8.256 CV 1 ASSI { 2230} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HN )) 2.700 0.900 0.900 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.22740E-02 ppm1 7.585 ppm2 7.918 CV 1 ASSI { 2238} (( segid " " and resid 172 and name HN )) (( segid " " and resid 169 and name HN )) 3.600 1.600 1.600 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.46461E-03 ppm1 7.924 ppm2 6.250 CV 1 ASSI { 2246} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HN )) 2.600 0.800 0.800 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.32401E-02 ppm1 7.920 ppm2 8.247 CV 1 ASSI { 2249} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HN )) 3.100 1.200 1.200 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 7.924 ppm2 8.406 CV 1 ASSI { 2274} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HN )) 3.100 1.200 1.200 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 8.251 ppm2 6.243 CV 1 ASSI { 2277} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HN )) 2.500 0.800 0.800 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.39711E-02 ppm1 8.114 ppm2 6.244 CV 1 ASSI { 2283} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HN )) 2.500 0.800 0.800 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.38029E-02 ppm1 6.241 ppm2 7.043 CV 1 ASSI { 2326} (( segid " " and resid 169 and name HN )) (( segid " " and resid 166 and name HN )) 3.600 1.600 1.600 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.45235E-03 ppm1 6.237 ppm2 8.526 CV 1 ASSI { 2329} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HN )) 2.400 0.700 0.700 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.44147E-02 ppm1 7.707 ppm2 8.526 CV 1 ASSI { 2330} (( segid " " and resid 167 and name HN )) (( segid " " and resid 170 and name HN )) 3.800 1.800 1.800 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.30683E-03 ppm1 7.710 ppm2 8.135 CV 1 ASSI { 2333} (( segid " " and resid 167 and name HN )) (( segid " " and resid 165 and name HN )) 3.000 1.100 1.100 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.13588E-02 ppm1 7.707 ppm2 7.466 CV 1 ASSI { 2339} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HN )) 2.300 0.700 0.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.58033E-02 ppm1 8.528 ppm2 7.464 CV 1 ASSI { 2346} (( segid " " and resid 167 and name HN )) (( segid " " and resid 169 and name HN )) 3.400 1.400 1.400 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.65748E-03 ppm1 7.709 ppm2 6.242 CV 1 ASSI { 2357} (( segid " " and resid 110 and name HN )) (( segid " " and resid 153 and name HN )) 3.400 1.400 1.400 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.64169E-03 ppm1 8.557 ppm2 7.054 CV 1 ASSI { 2360} (( segid " " and resid 166 and name HN )) (( segid " " and resid 168 and name HN )) 3.000 1.200 1.200 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 8.529 ppm2 7.038 CV 1 ASSI { 2376} (( segid " " and resid 165 and name HN )) (( segid " " and resid 163 and name HN )) 3.500 1.600 1.600 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.49267E-03 ppm1 7.461 ppm2 7.835 CV 1 ASSI { 2387} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.52773E-03 ppm1 8.324 ppm2 9.386 CV 1 ASSI { 2388} (( segid " " and resid 165 and name HN )) (( segid " " and resid 158 and name HN )) 3.200 1.300 1.300 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.88716E-03 ppm1 7.461 ppm2 8.354 CV 1 ASSI { 2395} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HN )) 3.200 1.300 1.300 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.82579E-03 ppm1 7.461 ppm2 9.066 CV 1 ASSI { 2412} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.63468E-03 ppm1 8.331 ppm2 7.239 CV 1 ASSI { 2428} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HE )) 3.500 1.500 1.500 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.53300E-03 ppm1 7.847 ppm2 6.712 CV 1 ASSI { 2492} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HN )) 2.600 0.800 0.800 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.32488E-02 ppm1 7.330 ppm2 8.057 CV 1 ASSI { 2544} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HN )) 3.500 1.500 1.500 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.55228E-03 ppm1 7.331 ppm2 9.306 CV 1 ASSI { 2549} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.24072E-02 ppm1 11.579 ppm2 8.129 CV 1 ASSI { 2570} (( segid " " and resid 161 and name HN )) (( segid " " and resid 163 and name HN )) 2.900 1.000 1.000 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 8.055 ppm2 7.858 CV 1 ASSI { 2595} (( segid " " and resid 161 and name HN )) (( segid " " and resid 159 and name HN )) 3.400 1.400 1.400 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.65923E-03 ppm1 8.049 ppm2 9.322 CV 1 ASSI { 2610} (( segid " " and resid 161 and name HN )) (( segid " " and resid 193 and name H22 )) 3.100 1.200 1.200 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 8.049 ppm2 6.729 CV 1 ASSI { 2625} (( segid " " and resid 159 and name HN )) (( segid " " and resid 116 and name HN )) 3.500 1.500 1.500 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.51196E-03 ppm1 9.311 ppm2 9.056 CV 1 ASSI { 2639} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) 3.900 1.900 1.900 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.27702E-03 ppm1 9.429 ppm2 9.135 CV 1 ASSI { 2655} (( segid " " and resid 160 and name HN )) (( segid " " and resid 161 and name HN )) 2.800 1.000 1.000 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 7.365 ppm2 8.052 CV 1 ASSI { 2709} (( segid " " and resid 160 and name HN )) (( segid " " and resid 118 and name HN )) 3.600 1.600 1.600 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.46987E-03 ppm1 7.364 ppm2 8.433 CV 1 ASSI { 2717} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) 3.300 1.400 1.400 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.73462E-03 ppm1 8.355 ppm2 9.306 CV 1 ASSI { 2735} (( segid " " and resid 158 and name HN )) (( segid " " and resid 163 and name HN )) 2.800 0.900 0.900 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 8.355 ppm2 7.851 CV 1 ASSI { 2775} (( segid " " and resid 168 and name HN )) (( segid " " and resid 165 and name HN )) 3.400 1.500 1.500 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.59611E-03 ppm1 7.050 ppm2 7.459 CV 1 ASSI { 2782} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HN )) 2.500 0.800 0.800 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.41588E-02 ppm1 7.048 ppm2 7.707 CV 1 ASSI { 2795} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HN )) 3.500 1.500 1.500 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.49968E-03 ppm1 7.928 ppm2 9.003 CV 1 ASSI { 2811} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HH )) 3.600 3.600 2.400 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.41904E-03 ppm1 7.929 ppm2 10.810 CV 1 ASSI { 2820} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HN )) 2.200 0.600 0.600 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.78125E-02 ppm1 7.049 ppm2 9.026 CV 1 ASSI { 2827} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HN )) 3.200 1.300 1.300 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.90293E-03 ppm1 7.049 ppm2 8.007 CV 1 ASSI { 2845} (( segid " " and resid 151 and name HN )) (( segid " " and resid 152 and name HN )) 3.700 1.700 1.700 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.36118E-03 ppm1 8.529 ppm2 9.027 CV 1 ASSI { 2850} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.500 0.800 0.800 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.39870E-02 ppm1 8.519 ppm2 7.323 CV 1 ASSI { 2857} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HN )) 2.800 1.000 1.000 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 8.519 ppm2 7.462 CV 1 ASSI { 2872} (( segid " " and resid 148 and name HN )) (( segid " " and resid 151 and name HN )) 3.500 1.500 1.500 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.54527E-03 ppm1 7.824 ppm2 8.529 CV 1 ASSI { 2885} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HN )) 3.500 1.500 1.500 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.55578E-03 ppm1 8.122 ppm2 7.513 CV 1 ASSI { 2901} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.500 0.800 0.800 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.38098E-02 ppm1 7.797 ppm2 8.075 CV 1 ASSI { 2910} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HN )) 2.600 0.900 0.900 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.28631E-02 ppm1 7.800 ppm2 7.507 CV 1 ASSI { 2911} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HN )) 2.900 1.000 1.000 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 7.796 ppm2 7.171 CV 1 ASSI { 2941} (( segid " " and resid 142 and name HN )) (( segid " " and resid 139 and name HN )) 3.600 1.600 1.600 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.44357E-03 ppm1 8.076 ppm2 9.031 CV 1 ASSI { 2957} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 2.300 0.600 0.600 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.70025E-02 ppm1 7.168 ppm2 8.077 CV 1 ASSI { 2960} (( segid " " and resid 141 and name HN )) (( segid " " and resid 144 and name HN )) 3.600 1.600 1.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.45235E-03 ppm1 7.170 ppm2 7.500 CV 1 ASSI { 2968} (( segid " " and resid 139 and name HN )) (( segid " " and resid 154 and name HH )) 3.500 1.500 1.500 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.55052E-03 ppm1 9.040 ppm2 10.796 CV 1 ASSI { 2984} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HG1 )) 3.000 3.000 3.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.13851E-02 ppm1 7.833 ppm2 5.297 CV 1 ASSI { 2986} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 3.200 1.300 1.300 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.94506E-03 ppm1 7.832 ppm2 9.039 CV 1 ASSI { 2987} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG1 )) 3.600 1.600 1.600 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.41377E-03 ppm1 8.459 ppm2 6.912 CV 1 ASSI { 2989} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HN )) 2.500 0.800 0.800 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.38098E-02 ppm1 7.904 ppm2 7.235 CV 1 ASSI { 2994} (( segid " " and resid 134 and name HN )) (( segid " " and resid 130 and name HN )) 3.400 1.500 1.500 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.60838E-03 ppm1 7.902 ppm2 8.296 CV 1 ASSI { 2996} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 2.300 0.700 0.700 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.60049E-02 ppm1 8.046 ppm2 7.926 CV 1 ASSI { 3003} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 2.300 0.700 0.700 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.60891E-02 ppm1 8.046 ppm2 7.235 CV 1 ASSI { 3005} (( segid " " and resid 133 and name HN )) (( segid " " and resid 130 and name HN )) 3.500 1.500 1.500 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.51546E-03 ppm1 8.049 ppm2 8.288 CV 1 ASSI { 3007} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 2.400 0.700 0.700 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.45795E-02 ppm1 7.232 ppm2 7.739 CV 1 ASSI { 3011} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HN )) 3.000 1.100 1.100 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 7.233 ppm2 8.307 CV 1 ASSI { 3015} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 2.300 0.700 0.700 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.58577E-02 ppm1 7.734 ppm2 8.309 CV 1 ASSI { 3017} (( segid " " and resid 129 and name HN )) (( segid " " and resid 131 and name HN )) 2.900 2.900 3.100 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.16025E-02 ppm1 8.148 ppm2 7.739 CV 1 ASSI { 3023} (( segid " " and resid 126 and name HN )) (( segid " " and resid 123 and name HN )) 3.600 1.600 1.600 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.44357E-03 ppm1 8.465 ppm2 8.753 CV 1 ASSI { 3032} (( segid " " and resid 123 and name HN )) (( segid " " and resid 125 and name HN )) 3.500 1.500 1.500 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.55403E-03 ppm1 8.769 ppm2 7.995 CV 1 ASSI { 3035} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 2.500 0.800 0.800 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.35240E-02 ppm1 7.137 ppm2 7.295 CV 1 ASSI { 3040} (( segid " " and resid 122 and name HN )) (( segid " " and resid 119 and name HN )) 3.200 3.200 2.800 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.80826E-03 ppm1 7.151 ppm2 7.828 CV 1 ASSI { 3041} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 3.500 1.600 1.600 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.49793E-03 ppm1 7.153 ppm2 8.781 CV 1 ASSI { 3054} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 2.600 0.900 0.900 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 8.270 ppm2 8.455 CV 1 ASSI { 3057} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HN )) 3.400 3.400 2.600 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.61539E-03 ppm1 7.295 ppm2 8.463 CV 1 ASSI { 3064} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 2.600 0.800 0.800 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.31050E-02 ppm1 7.828 ppm2 8.460 CV 1 ASSI { 3066} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HN )) 3.400 1.500 1.500 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.56981E-03 ppm1 7.133 ppm2 8.255 CV 1 ASSI { 3072} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 3.200 1.300 1.300 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.88716E-03 ppm1 7.828 ppm2 8.288 CV 1 ASSI { 3074} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 3.300 1.300 1.300 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.78196E-03 ppm1 8.324 ppm2 7.596 CV 1 ASSI { 3075} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 3.400 1.400 1.400 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.66449E-03 ppm1 7.831 ppm2 8.700 CV 1 ASSI { 3079} (( segid " " and resid 138 and name HN )) (( segid " " and resid 141 and name HE21)) 3.600 1.600 1.600 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.44182E-03 ppm1 7.830 ppm2 6.531 CV 1 ASSI { 3081} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 2.500 0.800 0.800 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.42096E-02 ppm1 8.272 ppm2 9.053 CV 1 ASSI { 3090} (( segid " " and resid 118 and name HN )) (( segid " " and resid 161 and name HN )) 3.400 1.500 1.500 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.60312E-03 ppm1 8.456 ppm2 8.060 CV 1 ASSI { 3092} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HN )) 3.400 1.500 1.500 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.59611E-03 ppm1 8.454 ppm2 9.048 CV 1 ASSI { 3103} (( segid " " and resid 101 and name HN )) (( segid " " and resid 103 and name HN )) 3.400 1.400 1.400 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.62417E-03 ppm1 8.303 ppm2 7.688 CV 1 ASSI { 3107} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HN )) 3.300 1.400 1.400 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.67325E-03 ppm1 8.748 ppm2 7.930 CV 1 ASSI { 3109} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.23056E-02 ppm1 6.884 ppm2 7.659 CV 1 ASSI { 3124} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.30314E-02 ppm1 7.659 ppm2 7.928 CV 1 ASSI { 3130} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 2.800 1.000 1.000 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.19882E-02 ppm1 7.658 ppm2 8.750 CV 1 ASSI { 3131} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HN )) 3.100 1.200 1.200 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 7.928 ppm2 6.878 CV 1 ASSI { 3139} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.23213E-02 ppm1 7.928 ppm2 8.305 CV 1 ASSI { 3144} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.500 0.800 0.800 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.37345E-02 ppm1 7.494 ppm2 8.303 CV 1 ASSI { 3151} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HN )) 2.900 1.000 1.000 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 7.492 ppm2 7.926 CV 1 ASSI { 3153} (( segid " " and resid 100 and name HN )) (( segid " " and resid 103 and name HN )) 3.400 1.400 1.400 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.63819E-03 ppm1 7.492 ppm2 7.676 CV 1 ASSI { 3154} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HN )) 2.900 2.900 3.100 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.14850E-02 ppm1 7.975 ppm2 6.343 CV 1 ASSI { 3163} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) 2.500 0.800 0.800 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.41132E-02 ppm1 6.338 ppm2 8.039 CV 1 ASSI { 3173} (( segid " " and resid 93 and name HN )) (( segid " " and resid 90 and name HN )) 3.700 1.700 1.700 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.37169E-03 ppm1 8.050 ppm2 7.424 CV 1 ASSI { 3174} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HD22)) 3.600 1.600 1.600 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.45585E-03 ppm1 7.880 ppm2 10.260 CV 1 ASSI { 3176} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HN )) 2.900 1.100 1.100 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 7.880 ppm2 7.428 CV 1 ASSI { 3183} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) 3.200 1.300 1.300 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.90820E-03 ppm1 7.880 ppm2 6.341 CV 1 ASSI { 3188} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 2.500 0.800 0.800 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.34908E-02 ppm1 8.163 ppm2 7.425 CV 1 ASSI { 3191} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HN )) 2.700 0.900 0.900 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 7.429 ppm2 7.987 CV 1 ASSI { 3196} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HG )) 2.900 1.100 1.100 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.15692E-02 ppm1 8.298 ppm2 6.118 CV 1 ASSI { 3197} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HN )) 3.600 1.700 1.700 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.41201E-03 ppm1 7.707 ppm2 7.955 CV 1 ASSI { 3201} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 2.300 0.700 0.700 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.64959E-02 ppm1 7.390 ppm2 7.706 CV 1 ASSI { 3207} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HN )) 3.700 3.700 2.300 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.35065E-03 ppm1 7.389 ppm2 8.295 CV 1 ASSI { 3210} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 3.400 1.400 1.400 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.61539E-03 ppm1 8.877 ppm2 7.385 CV 1 ASSI { 3212} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HN )) 3.600 1.600 1.600 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.42955E-03 ppm1 8.293 ppm2 7.701 CV 1 ASSI { 3214} (( segid " " and resid 83 and name HN )) (( segid " " and resid 89 and name HN )) 3.300 1.400 1.400 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.71533E-03 ppm1 8.300 ppm2 7.985 CV 1 ASSI { 3215} (( segid " " and resid 76 and name HN )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 8.704 ppm2 10.474 CV 1 ASSI { 3219} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HN )) 2.800 2.800 3.200 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.18427E-02 ppm1 7.106 ppm2 7.436 CV 1 ASSI { 3223} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 2.400 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.49547E-02 ppm1 7.106 ppm2 7.859 CV 1 ASSI { 3226} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 2.600 0.800 0.800 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.33645E-02 ppm1 7.860 ppm2 7.437 CV 1 ASSI { 3227} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.12273E-02 ppm1 8.283 ppm2 8.966 CV 1 ASSI { 3236} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) 3.400 1.400 1.400 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.66449E-03 ppm1 8.286 ppm2 8.042 CV 1 ASSI { 3237} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 3.100 1.200 1.200 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.10572E-02 ppm1 8.287 ppm2 7.721 CV 1 ASSI { 3246} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 3.600 1.600 1.600 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.46987E-03 ppm1 8.960 ppm2 8.024 CV 1 ASSI { 3254} (( segid " " and resid 54 and name HN )) (( segid " " and resid 4 and name HN )) 2.900 1.100 1.100 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 9.468 ppm2 8.375 CV 1 ASSI { 3256} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 3.300 1.400 1.400 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.73988E-03 ppm1 9.461 ppm2 8.765 CV 1 ASSI { 3257} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 3.400 1.400 1.400 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.61891E-03 ppm1 9.464 ppm2 9.136 CV 1 ASSI { 3260} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HE1 )) 3.500 1.600 1.600 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.48390E-03 ppm1 9.463 ppm2 10.467 CV 1 ASSI { 3263} (( segid " " and resid 53 and name HN )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.51248E-02 ppm1 9.135 ppm2 8.793 CV 1 ASSI { 3264} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 3.100 3.100 2.900 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.11010E-02 ppm1 9.135 ppm2 8.556 CV 1 ASSI { 3268} (( segid " " and resid 52 and name HN )) (( segid " " and resid 2 and name HN )) 3.000 1.100 1.100 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.12693E-02 ppm1 8.568 ppm2 8.197 CV 1 ASSI { 3271} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.87488E-03 ppm1 9.079 ppm2 8.581 CV 1 ASSI { 3274} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 2.300 0.700 0.700 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.56981E-02 ppm1 7.931 ppm2 8.417 CV 1 ASSI { 3276} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HN )) 2.300 0.600 0.600 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.72796E-02 ppm1 7.932 ppm2 8.681 CV 1 ASSI { 3277} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HN )) 3.300 1.400 1.400 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.67677E-03 ppm1 7.929 ppm2 9.187 CV 1 ASSI { 3283} (( segid " " and resid 45 and name HN )) (( segid " " and resid 51 and name HN )) 3.600 1.600 1.600 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.42605E-03 ppm1 8.383 ppm2 9.081 CV 1 ASSI { 3287} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.24914E-02 ppm1 8.678 ppm2 8.407 CV 1 ASSI { 3291} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.200 1.200 1.200 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.96778E-03 ppm1 8.374 ppm2 8.688 CV 1 ASSI { 3294} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 3.200 1.200 1.200 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.97132E-03 ppm1 8.937 ppm2 8.372 CV 1 ASSI { 3295} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.51371E-03 ppm1 8.934 ppm2 8.497 CV 1 ASSI { 3296} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HD22)) 3.700 3.700 2.300 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.38046E-03 ppm1 8.495 ppm2 7.183 CV 1 ASSI { 3298} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 3.400 1.500 1.500 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.56456E-03 ppm1 8.791 ppm2 8.485 CV 1 ASSI { 3302} (( segid " " and resid 17 and name HN )) (( segid " " and resid 20 and name HN )) 3.700 1.700 1.700 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.36468E-03 ppm1 9.130 ppm2 7.247 CV 1 ASSI { 3303} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 2.600 0.900 0.900 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.29613E-02 ppm1 7.524 ppm2 8.093 CV 1 ASSI { 3304} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) 3.400 1.400 1.400 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.66975E-03 ppm1 9.128 ppm2 7.934 CV 1 ASSI { 3306} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 3.100 1.200 1.200 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 9.132 ppm2 8.334 CV 1 ASSI { 3309} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 7.642 ppm2 8.094 CV 1 ASSI { 3310} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.35942E-03 ppm1 7.639 ppm2 8.853 CV 1 ASSI { 3312} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) 3.000 1.200 1.200 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 8.859 ppm2 7.291 CV 1 ASSI { 3320} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 3.000 1.200 1.200 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 7.931 ppm2 9.426 CV 1 ASSI { 3321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 58 and name HN )) 3.500 3.500 2.500 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.55403E-03 ppm1 8.659 ppm2 6.268 CV 1 ASSI { 3322} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.50319E-03 ppm1 8.650 ppm2 6.778 CV 1 ASSI { 3323} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 3.300 1.400 1.400 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.72936E-03 ppm1 8.657 ppm2 8.177 CV 1 ASSI { 3324} (( segid " " and resid 9 and name HN )) (( segid " " and resid 79 and name HN )) 3.400 1.500 1.500 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.57507E-03 ppm1 8.660 ppm2 8.856 CV 1 ASSI { 3325} (( segid " " and resid 8 and name HN )) (( segid " " and resid 58 and name HN )) 3.300 1.300 1.300 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.78371E-03 ppm1 8.175 ppm2 6.266 CV 1 ASSI { 3329} (( segid " " and resid 8 and name HN )) (( segid " " and resid 56 and name HN )) 3.300 1.300 1.300 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.80125E-03 ppm1 8.175 ppm2 9.308 CV 1 ASSI { 3330} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 3.500 1.500 1.500 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.52072E-03 ppm1 7.500 ppm2 8.185 CV 1 ASSI { 3331} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HN )) 3.700 1.800 1.800 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.34189E-03 ppm1 7.506 ppm2 8.693 CV 1 ASSI { 3332} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.63819E-03 ppm1 7.504 ppm2 9.316 CV 1 ASSI { 3335} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.11256E-02 ppm1 9.319 ppm2 10.462 CV 1 ASSI { 3338} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 3.700 1.700 1.700 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.35942E-03 ppm1 10.474 ppm2 8.392 CV 1 ASSI { 3340} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) 3.100 1.200 1.200 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.10923E-02 ppm1 8.584 ppm2 8.190 CV 1 ASSI { 3342} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.500 1.500 1.500 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.55403E-03 ppm1 8.588 ppm2 8.408 CV 1 ASSI { 3352} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HN )) 3.700 1.800 1.800 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.34539E-03 ppm1 7.828 ppm2 6.313 CV 1 ASSI { 3356} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 3.600 1.700 1.700 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.40676E-03 ppm1 8.475 ppm2 8.136 CV 1 ASSI { 3428} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HG1 )) 3.600 1.600 1.600 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.43656E-03 ppm1 9.050 ppm2 5.149 CV 1 ASSI { 4214} (( segid " " and resid 7 and name HN )) (( segid " " and resid 75 and name HG1 )) 3.900 1.900 1.900 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.25948E-03 ppm1 7.503 ppm2 5.505 CV 1 ASSI { 8899} (( segid " " and resid 119 and name HN )) (( segid " " and resid 193 and name H1 )) 3.800 1.800 1.800 peak 8899 spectrum 1 weight 0.10000E+01 volume 0.29980E-03 ppm1 7.821 ppm2 12.757 CV 1 ASSI { 8908} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG )) 3.300 1.400 1.400 peak 8908 spectrum 1 weight 0.10000E+01 volume 0.70482E-03 ppm1 7.766 ppm2 5.078 CV 1 ASSI { 8909} (( segid " " and resid 28 and name HN )) (( segid " " and resid 22 and name HG )) 3.800 1.800 1.800 peak 8909 spectrum 1 weight 0.10000E+01 volume 0.32961E-03 ppm1 8.332 ppm2 5.090 CV 1 ASSI { 8910} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD21)) 3.800 1.900 1.900 peak 8910 spectrum 1 weight 0.10000E+01 volume 0.29279E-03 ppm1 8.573 ppm2 6.561 CV 1 ASSI { 8911} (( segid " " and resid 141 and name HN )) (( segid " " and resid 154 and name HH )) 3.800 1.800 1.800 peak 8911 spectrum 1 weight 0.10000E+01 volume 0.33137E-03 ppm1 7.165 ppm2 10.808 CV 1 ASSI { 8920} (( segid " " and resid 53 and name HN )) (( segid " " and resid 4 and name HN )) 3.500 1.500 1.500 peak 8920 spectrum 1 weight 0.10000E+01 volume 0.49968E-03 ppm1 9.135 ppm2 8.419 CV 1 ASSI { 9469} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 9469 spectrum 1 weight 0.10000E+01 volume 0.35591E-03 ppm1 7.198 ppm2 8.313 CV 1 ASSI { 9485} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 2.600 0.800 0.800 peak 9485 spectrum 1 weight 0.10000E+01 volume 0.31050E-02 ppm1 7.325 ppm2 7.469 CV 1 ASSI { 9506} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HN )) 3.000 1.100 1.100 peak 9506 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 7.763 ppm2 8.109 CV 1 ASSI { 9507} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HN )) 3.100 1.200 1.200 peak 9507 spectrum 1 weight 0.10000E+01 volume 0.11010E-02 ppm1 8.079 ppm2 7.505 CV 1 ASSI { 9509} (( segid " " and resid 137 and name HN )) (( segid " " and resid 86 and name HN )) 3.500 1.500 1.500 peak 9509 spectrum 1 weight 0.10000E+01 volume 0.54702E-03 ppm1 8.686 ppm2 7.714 CV 1 ASSI {11127} (( segid " " and resid 139 and name HN )) (( segid " " and resid 120 and name HE )) 3.200 3.200 2.800 peak 11127 spectrum 1 weight 0.10000E+01 volume 0.86436E-03 ppm1 9.041 ppm2 6.934 CV 1 ASSI {11172} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 2.300 0.700 0.700 peak 11172 spectrum 1 weight 0.10000E+01 volume 0.60119E-02 ppm1 8.310 ppm2 8.143 CV 1 ASSI {11173} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HN )) 2.400 0.700 0.700 peak 11173 spectrum 1 weight 0.10000E+01 volume 0.52054E-02 ppm1 8.148 ppm2 7.988 CV 1 ASSI {11175} (( segid " " and resid 129 and name HN )) (( segid " " and resid 132 and name HN )) 3.600 1.600 1.600 peak 11175 spectrum 1 weight 0.10000E+01 volume 0.45410E-03 ppm1 8.157 ppm2 7.250 CV 1 ASSI {11176} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG1 )) 3.700 1.700 1.700 peak 11176 spectrum 1 weight 0.10000E+01 volume 0.36118E-03 ppm1 7.981 ppm2 6.881 CV 1 ASSI {11178} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 3.600 1.600 1.600 peak 11178 spectrum 1 weight 0.10000E+01 volume 0.45936E-03 ppm1 9.008 ppm2 7.963 CV 1 ASSI {11180} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HN )) 2.600 0.800 0.800 peak 11180 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 7.828 ppm2 7.959 CV 1 ASSI {11182} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.600 0.800 0.800 peak 11182 spectrum 1 weight 0.10000E+01 volume 0.31331E-02 ppm1 7.803 ppm2 7.993 CV 1 ASSI {11184} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.400 0.700 0.700 peak 11184 spectrum 1 weight 0.10000E+01 volume 0.52686E-02 ppm1 7.880 ppm2 8.137 CV 1 ASSI {11190} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HG1 )) 2.800 1.000 1.000 peak 11190 spectrum 1 weight 0.10000E+01 volume 0.18900E-02 ppm1 7.641 ppm2 4.188 CV 1 ASSI {12600} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HN )) 3.600 1.600 1.600 peak 12600 spectrum 1 weight 0.10000E+01 volume 0.45936E-03 ppm1 7.619 ppm2 8.194 CV 1 ASSI {12662} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG )) 3.200 1.300 1.300 peak 12662 spectrum 1 weight 0.10000E+01 volume 0.83456E-03 ppm1 8.355 ppm2 1.133 CV 1 ASSI {12663} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG )) 2.400 0.700 0.700 peak 12663 spectrum 1 weight 0.10000E+01 volume 0.53544E-02 ppm1 9.016 ppm2 1.131 CV 1 ASSI {12664} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HG )) 3.700 3.700 2.300 peak 12664 spectrum 1 weight 0.10000E+01 volume 0.34189E-03 ppm1 7.934 ppm2 1.126 CV 1 ASSI {12666} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) 3.700 3.700 2.300 peak 12666 spectrum 1 weight 0.10000E+01 volume 0.35065E-03 ppm1 8.518 ppm2 7.072 CV 1 ASSI {12668} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HN )) 3.300 1.300 1.300 peak 12668 spectrum 1 weight 0.10000E+01 volume 0.75741E-03 ppm1 7.815 ppm2 8.091 CV 1 ASSI {12671} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 2.200 0.600 0.600 peak 12671 spectrum 1 weight 0.10000E+01 volume 0.91696E-02 ppm1 7.151 ppm2 7.286 CV 1 ASSI {12676} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG )) 3.100 1.200 1.200 peak 12676 spectrum 1 weight 0.10000E+01 volume 0.99236E-03 ppm1 8.861 ppm2 1.373 CV 1 ASSI {12678} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.500 1.500 1.500 peak 12678 spectrum 1 weight 0.10000E+01 volume 0.53826E-03 ppm1 7.333 ppm2 8.736 CV 1 ASSI {12683} (( segid " " and resid 51 and name HN )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 12683 spectrum 1 weight 0.10000E+01 volume 0.83806E-03 ppm1 9.081 ppm2 8.688 CV 1 ASSI {12684} (( segid " " and resid 51 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 12684 spectrum 1 weight 0.10000E+01 volume 0.46252E-02 ppm1 9.082 ppm2 8.931 CV 1 ASSI {12688} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG1 )) 2.800 1.000 1.000 peak 12688 spectrum 1 weight 0.10000E+01 volume 0.18286E-02 ppm1 8.095 ppm2 4.218 CV 1 ASSI {12691} (( segid " " and resid 9 and name HN )) (( segid " " and resid 81 and name HG )) 2.700 0.900 0.900 peak 12691 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 8.658 ppm2 1.375 CV 1 ASSI {12693} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG )) 3.700 1.700 1.700 peak 12693 spectrum 1 weight 0.10000E+01 volume 0.36118E-03 ppm1 9.318 ppm2 1.024 CV 1 ASSI { 62} (( segid " " and resid 1137 and name HN )) (( segid " " and resid 1139 and name HN )) 3.300 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.64587E-03 ppm1 7.647 ppm2 8.746 CV 1 ASSI { 1462} (( segid " " and resid 1196 and name HE21)) ( segid " " and resid 1193 and name HD2%) 3.200 1.200 1.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.85901E-03 ppm1 6.777 ppm2 0.841 CV 1 ASSI { 6753} (( segid " " and resid 1176 and name HN )) (( segid " " and resid 1176 and name HD2 )) 2.600 0.900 0.900 peak 6753 spectrum 1 weight 0.10000E+01 volume 0.24736E-02 ppm1 7.829 ppm2 1.563 CV 1 OR { 6753} (( segid " " and resid 1176 and name HN )) (( segid " " and resid 1176 and name HD1 )) ASSI { 6754} (( segid " " and resid 1176 and name HN )) (( segid " " and resid 1179 and name HG12)) 2.700 2.700 3.300 peak 6754 spectrum 1 weight 0.10000E+01 volume 0.19925E-02 ppm1 7.824 ppm2 1.775 CV 1 ASSI { 6761} (( segid " " and resid 1177 and name HN )) ( segid " " and resid 1177 and name HD1%) 2.500 0.800 0.800 peak 6761 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 8.842 ppm2 0.761 CV 1 ASSI { 6763} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1177 and name HB )) 2.400 0.700 0.700 peak 6763 spectrum 1 weight 0.10000E+01 volume 0.41852E-02 ppm1 8.843 ppm2 1.862 CV 1 ASSI { 6764} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1176 and name HD2 )) 3.300 1.400 1.400 peak 6764 spectrum 1 weight 0.10000E+01 volume 0.62650E-03 ppm1 8.846 ppm2 1.575 CV 1 OR { 6764} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1176 and name HG2 )) ASSI { 6766} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1176 and name HA )) 2.900 1.100 1.100 peak 6766 spectrum 1 weight 0.10000E+01 volume 0.13789E-02 ppm1 8.846 ppm2 3.867 CV 1 ASSI { 6767} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1178 and name HA )) 3.000 3.000 3.000 peak 6767 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 8.848 ppm2 4.354 CV 1 ASSI { 6770} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1149 and name HB )) 3.000 3.000 3.000 peak 6770 spectrum 1 weight 0.10000E+01 volume 0.10883E-02 ppm1 7.907 ppm2 1.890 CV 1 ASSI { 6773} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1150 and name HG2 )) 3.100 1.200 1.200 peak 6773 spectrum 1 weight 0.10000E+01 volume 0.90744E-03 ppm1 7.899 ppm2 2.389 CV 1 OR { 6773} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1150 and name HG1 )) ASSI { 6774} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1151 and name HB )) 2.200 0.600 0.600 peak 6774 spectrum 1 weight 0.10000E+01 volume 0.80249E-02 ppm1 7.899 ppm2 3.826 CV 1 OR { 6774} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1151 and name HA )) ASSI { 6777} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1152 and name HN )) 2.700 0.900 0.900 peak 6777 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 7.900 ppm2 8.140 CV 1 ASSI { 6778} (( segid " " and resid 1165 and name HN )) (( segid " " and resid 1165 and name HA )) 2.300 0.700 0.700 peak 6778 spectrum 1 weight 0.10000E+01 volume 0.51411E-02 ppm1 7.846 ppm2 3.933 CV 1 ASSI { 6779} (( segid " " and resid 1175 and name HN )) ( segid " " and resid 1175 and name HG2%) 2.700 2.700 3.300 peak 6779 spectrum 1 weight 0.10000E+01 volume 0.22993E-02 ppm1 7.983 ppm2 1.255 CV 1 ASSI { 6784} (( segid " " and resid 1175 and name HN )) (( segid " " and resid 1175 and name HA )) 2.400 0.700 0.700 peak 6784 spectrum 1 weight 0.10000E+01 volume 0.39527E-02 ppm1 7.983 ppm2 3.934 CV 1 ASSI { 6785} (( segid " " and resid 1175 and name HN )) (( segid " " and resid 1175 and name HB )) 2.400 0.700 0.700 peak 6785 spectrum 1 weight 0.10000E+01 volume 0.47923E-02 ppm1 7.981 ppm2 4.338 CV 1 ASSI { 6788} (( segid " " and resid 1165 and name HN )) ( segid " " and resid 1164 and name HD1%) 2.800 1.000 1.000 peak 6788 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 7.844 ppm2 0.845 CV 1 OR { 6788} (( segid " " and resid 1165 and name HN )) ( segid " " and resid 1164 and name HD2%) ASSI { 6790} (( segid " " and resid 1165 and name HN )) (( segid " " and resid 1164 and name HB1 )) 2.600 0.900 0.900 peak 6790 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 7.843 ppm2 1.607 CV 1 ASSI { 6791} (( segid " " and resid 1165 and name HN )) (( segid " " and resid 1165 and name HB )) 2.500 0.800 0.800 peak 6791 spectrum 1 weight 0.10000E+01 volume 0.38365E-02 ppm1 7.845 ppm2 4.196 CV 1 ASSI { 6792} (( segid " " and resid 1165 and name HN )) (( segid " " and resid 1164 and name HB2 )) 2.700 0.900 0.900 peak 6792 spectrum 1 weight 0.10000E+01 volume 0.21539E-02 ppm1 7.846 ppm2 1.773 CV 1 ASSI { 6793} (( segid " " and resid 1186 and name HN )) (( segid " " and resid 1186 and name HG1 )) 2.800 0.900 0.900 peak 6793 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 7.685 ppm2 1.623 CV 1 ASSI { 6802} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1172 and name HB2 )) 2.700 0.900 0.900 peak 6802 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 8.232 ppm2 2.780 CV 1 ASSI { 6804} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1169 and name HA )) 3.300 1.400 1.400 peak 6804 spectrum 1 weight 0.10000E+01 volume 0.62003E-03 ppm1 8.225 ppm2 4.103 CV 1 ASSI { 6806} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1172 and name HN )) 2.500 0.800 0.800 peak 6806 spectrum 1 weight 0.10000E+01 volume 0.33069E-02 ppm1 8.232 ppm2 8.457 CV 1 ASSI { 6809} (( segid " " and resid 1153 and name HN )) (( segid " " and resid 1149 and name HA )) 3.000 1.100 1.100 peak 6809 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 7.834 ppm2 3.458 CV 1 ASSI { 6814} (( segid " " and resid 1153 and name HN )) (( segid " " and resid 1154 and name HN )) 3.300 1.400 1.400 peak 6814 spectrum 1 weight 0.10000E+01 volume 0.62003E-03 ppm1 7.837 ppm2 7.649 CV 1 ASSI { 6815} (( segid " " and resid 1153 and name HN )) (( segid " " and resid 1152 and name HN )) 3.000 1.100 1.100 peak 6815 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 7.842 ppm2 8.116 CV 1 ASSI { 6818} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1167 and name HB1 )) 2.600 0.900 0.900 peak 6818 spectrum 1 weight 0.10000E+01 volume 0.26674E-02 ppm1 8.647 ppm2 1.973 CV 1 ASSI { 6819} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1167 and name HB2 )) 2.400 0.700 0.700 peak 6819 spectrum 1 weight 0.10000E+01 volume 0.46986E-02 ppm1 8.649 ppm2 2.323 CV 1 ASSI { 6823} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1166 and name HN )) 2.800 1.000 1.000 peak 6823 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 8.648 ppm2 8.199 CV 1 ASSI { 6826} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1181 and name HB2 )) 2.500 0.800 0.800 peak 6826 spectrum 1 weight 0.10000E+01 volume 0.38526E-02 ppm1 8.950 ppm2 1.962 CV 1 ASSI { 6827} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1180 and name HB )) 2.500 0.800 0.800 peak 6827 spectrum 1 weight 0.10000E+01 volume 0.35458E-02 ppm1 8.949 ppm2 1.755 CV 1 ASSI { 6830} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1181 and name HD2 )) 3.100 1.200 1.200 peak 6830 spectrum 1 weight 0.10000E+01 volume 0.93005E-03 ppm1 8.949 ppm2 3.142 CV 1 ASSI { 6836} (( segid " " and resid 1146 and name HN )) ( segid " " and resid 1170 and name HD2%) 2.900 1.000 1.000 peak 6836 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 8.514 ppm2 0.993 CV 1 ASSI { 6838} (( segid " " and resid 1146 and name HN )) ( segid " " and resid 1145 and name HB% ) 2.600 0.900 0.900 peak 6838 spectrum 1 weight 0.10000E+01 volume 0.26158E-02 ppm1 8.509 ppm2 1.520 CV 1 ASSI { 6846} (( segid " " and resid 1186 and name HN )) ( segid " " and resid 1187 and name HB% ) 3.100 1.200 1.200 peak 6846 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 7.690 ppm2 1.364 CV 1 ASSI { 6849} (( segid " " and resid 1186 and name HN )) (( segid " " and resid 1186 and name HA )) 2.400 0.700 0.700 peak 6849 spectrum 1 weight 0.10000E+01 volume 0.46277E-02 ppm1 7.686 ppm2 4.029 CV 1 ASSI { 6851} (( segid " " and resid 1186 and name HN )) (( segid " " and resid 1187 and name HN )) 2.600 0.800 0.800 peak 6851 spectrum 1 weight 0.10000E+01 volume 0.28935E-02 ppm1 7.688 ppm2 8.021 CV 1 ASSI { 6855} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1131 and name HB2 )) 2.300 0.700 0.700 peak 6855 spectrum 1 weight 0.10000E+01 volume 0.53963E-02 ppm1 8.669 ppm2 2.088 CV 1 ASSI { 6862} (( segid " " and resid 1139 and name HN )) ( segid " " and resid 1139 and name HD2%) 2.400 0.700 0.700 peak 6862 spectrum 1 weight 0.10000E+01 volume 0.44242E-02 ppm1 8.731 ppm2 0.833 CV 1 OR { 6862} (( segid " " and resid 1139 and name HN )) ( segid " " and resid 1139 and name HD1%) ASSI { 6865} (( segid " " and resid 1139 and name HN )) (( segid " " and resid 1136 and name HA )) 2.700 0.900 0.900 peak 6865 spectrum 1 weight 0.10000E+01 volume 0.23801E-02 ppm1 8.732 ppm2 3.991 CV 1 ASSI { 6868} (( segid " " and resid 1135 and name HN )) ( segid " " and resid 1180 and name HG2%) 2.300 0.700 0.700 peak 6868 spectrum 1 weight 0.10000E+01 volume 0.51024E-02 ppm1 8.663 ppm2 0.874 CV 1 ASSI { 6870} (( segid " " and resid 1135 and name HN )) (( segid " " and resid 1135 and name HB1 )) 2.500 0.800 0.800 peak 6870 spectrum 1 weight 0.10000E+01 volume 0.33295E-02 ppm1 8.662 ppm2 1.572 CV 1 ASSI { 6871} (( segid " " and resid 1135 and name HN )) (( segid " " and resid 1135 and name HB2 )) 2.500 0.800 0.800 peak 6871 spectrum 1 weight 0.10000E+01 volume 0.32972E-02 ppm1 8.664 ppm2 2.047 CV 1 ASSI { 6872} (( segid " " and resid 1135 and name HN )) (( segid " " and resid 1134 and name HG1 )) 3.300 1.400 1.400 peak 6872 spectrum 1 weight 0.10000E+01 volume 0.62003E-03 ppm1 8.651 ppm2 2.439 CV 1 ASSI { 6873} (( segid " " and resid 1135 and name HN )) (( segid " " and resid 1135 and name HA )) 2.500 0.800 0.800 peak 6873 spectrum 1 weight 0.10000E+01 volume 0.37880E-02 ppm1 8.665 ppm2 3.885 CV 1 ASSI { 6875} (( segid " " and resid 1135 and name HN )) (( segid " " and resid 1134 and name HN )) 2.700 0.900 0.900 peak 6875 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 8.666 ppm2 7.863 CV 1 ASSI { 6879} (( segid " " and resid 1192 and name HN )) (( segid " " and resid 1191 and name HB2 )) 2.800 1.000 1.000 peak 6879 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 8.004 ppm2 2.621 CV 1 ASSI { 6880} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1184 and name HB2 )) 2.300 0.700 0.700 peak 6880 spectrum 1 weight 0.10000E+01 volume 0.53058E-02 ppm1 9.013 ppm2 1.708 CV 1 OR { 6880} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1184 and name HB1 )) ASSI { 6883} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1183 and name HB1 )) 2.800 1.000 1.000 peak 6883 spectrum 1 weight 0.10000E+01 volume 0.18859E-02 ppm1 9.013 ppm2 1.962 CV 1 ASSI { 6884} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1183 and name HB2 )) 2.800 1.000 1.000 peak 6884 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 9.011 ppm2 2.331 CV 1 ASSI { 6885} (( segid " " and resid 1184 and name HN )) ( segid " " and resid 1131 and name HD1%) 3.100 1.200 1.200 peak 6885 spectrum 1 weight 0.10000E+01 volume 0.89776E-03 ppm1 9.010 ppm2 0.662 CV 1 ASSI { 6887} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1183 and name HG2 )) 3.400 1.400 1.400 peak 6887 spectrum 1 weight 0.10000E+01 volume 0.59743E-03 ppm1 9.019 ppm2 2.597 CV 1 ASSI { 6891} (( segid " " and resid 1190 and name HN )) (( segid " " and resid 1189 and name HB2 )) 2.700 0.900 0.900 peak 6891 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 7.903 ppm2 2.079 CV 1 ASSI { 6897} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1140 and name HG2 )) 2.600 0.900 0.900 peak 6897 spectrum 1 weight 0.10000E+01 volume 0.25576E-02 ppm1 7.375 ppm2 1.635 CV 1 OR { 6897} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1140 and name HD2 )) ASSI { 6898} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1140 and name HG1 )) 2.700 0.900 0.900 peak 6898 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 7.375 ppm2 1.417 CV 1 ASSI { 6899} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1141 and name HB )) 3.200 1.300 1.300 peak 6899 spectrum 1 weight 0.10000E+01 volume 0.79119E-03 ppm1 7.376 ppm2 2.361 CV 1 ASSI { 6901} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1140 and name HA )) 2.600 0.800 0.800 peak 6901 spectrum 1 weight 0.10000E+01 volume 0.26901E-02 ppm1 7.379 ppm2 4.123 CV 1 ASSI { 6907} (( segid " " and resid 1131 and name HN )) ( segid " " and resid 1129 and name HB% ) 3.200 1.300 1.300 peak 6907 spectrum 1 weight 0.10000E+01 volume 0.79441E-03 ppm1 7.860 ppm2 1.431 CV 1 ASSI { 6908} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1131 and name HB2 )) 2.600 0.800 0.800 peak 6908 spectrum 1 weight 0.10000E+01 volume 0.27934E-02 ppm1 7.852 ppm2 2.067 CV 1 ASSI { 6912} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1130 and name HA1 )) 2.900 1.000 1.000 peak 6912 spectrum 1 weight 0.10000E+01 volume 0.15404E-02 ppm1 7.853 ppm2 3.870 CV 1 ASSI { 6913} (( segid " " and resid 1189 and name HN )) ( segid " " and resid 1188 and name HD2%) 2.600 2.600 3.400 peak 6913 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 7.635 ppm2 0.849 CV 1 OR { 6913} (( segid " " and resid 1189 and name HN )) ( segid " " and resid 1188 and name HD1%) ASSI { 6920} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1142 and name HB1 )) 2.900 1.000 1.000 peak 6920 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.844 ppm2 1.913 CV 1 ASSI { 6925} (( segid " " and resid 1124 and name HD22)) (( segid " " and resid 1124 and name HB1 )) 3.100 1.200 1.200 peak 6925 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 7.631 ppm2 2.761 CV 1 ASSI { 6926} (( segid " " and resid 1188 and name HN )) ( segid " " and resid 1188 and name HD2%) 2.400 0.700 0.700 peak 6926 spectrum 1 weight 0.10000E+01 volume 0.40851E-02 ppm1 8.002 ppm2 0.846 CV 1 ASSI { 6927} (( segid " " and resid 1188 and name HN )) (( segid " " and resid 1188 and name HB2 )) 2.300 0.700 0.700 peak 6927 spectrum 1 weight 0.10000E+01 volume 0.52509E-02 ppm1 8.001 ppm2 1.740 CV 1 ASSI { 6929} (( segid " " and resid 1188 and name HN )) (( segid " " and resid 1189 and name HB2 )) 3.100 1.200 1.200 peak 6929 spectrum 1 weight 0.10000E+01 volume 0.88484E-03 ppm1 8.006 ppm2 2.078 CV 1 OR { 6929} (( segid " " and resid 1188 and name HN )) (( segid " " and resid 1189 and name HB1 )) ASSI { 6933} (( segid " " and resid 1188 and name HN )) (( segid " " and resid 1185 and name HA )) 2.900 1.100 1.100 peak 6933 spectrum 1 weight 0.10000E+01 volume 0.13176E-02 ppm1 8.007 ppm2 3.960 CV 1 ASSI { 6941} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1147 and name HB2 )) 2.500 0.800 0.800 peak 6941 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 8.258 ppm2 2.937 CV 1 ASSI { 6942} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1146 and name HB2 )) 2.700 0.900 0.900 peak 6942 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 8.258 ppm2 2.306 CV 1 ASSI { 6947} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1145 and name HA )) 2.900 2.900 3.100 peak 6947 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 8.257 ppm2 4.159 CV 1 ASSI { 6949} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1146 and name HN )) 2.700 0.900 0.900 peak 6949 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 8.255 ppm2 8.519 CV 1 ASSI { 6950} (( segid " " and resid 1191 and name HN )) ( segid " " and resid 1190 and name HB% ) 2.500 0.800 0.800 peak 6950 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 8.113 ppm2 1.386 CV 1 ASSI { 6952} (( segid " " and resid 1191 and name HN )) (( segid " " and resid 1191 and name HB2 )) 2.300 0.600 0.600 peak 6952 spectrum 1 weight 0.10000E+01 volume 0.63779E-02 ppm1 8.114 ppm2 2.627 CV 1 OR { 6952} (( segid " " and resid 1191 and name HN )) (( segid " " and resid 1191 and name HB1 )) ASSI { 6956} (( segid " " and resid 1152 and name HN )) ( segid " " and resid 1151 and name HG2%) 2.700 0.900 0.900 peak 6956 spectrum 1 weight 0.10000E+01 volume 0.22412E-02 ppm1 8.118 ppm2 0.820 CV 1 ASSI { 6957} (( segid " " and resid 1152 and name HN )) ( segid " " and resid 1157 and name HG2%) 3.300 1.300 1.300 peak 6957 spectrum 1 weight 0.10000E+01 volume 0.67170E-03 ppm1 8.114 ppm2 1.116 CV 1 ASSI { 6958} (( segid " " and resid 1152 and name HN )) (( segid " " and resid 1149 and name HA )) 2.700 0.900 0.900 peak 6958 spectrum 1 weight 0.10000E+01 volume 0.23025E-02 ppm1 8.116 ppm2 3.454 CV 1 ASSI { 6959} (( segid " " and resid 1152 and name HN )) (( segid " " and resid 1151 and name HB )) 2.500 0.800 0.800 peak 6959 spectrum 1 weight 0.10000E+01 volume 0.35491E-02 ppm1 8.118 ppm2 3.830 CV 1 ASSI { 6964} (( segid " " and resid 1161 and name HN )) (( segid " " and resid 1161 and name HB2 )) 2.500 0.800 0.800 peak 6964 spectrum 1 weight 0.10000E+01 volume 0.33940E-02 ppm1 8.121 ppm2 1.833 CV 1 OR { 6964} (( segid " " and resid 1161 and name HN )) (( segid " " and resid 1161 and name HB1 )) ASSI { 6965} (( segid " " and resid 1128 and name HN )) ( segid " " and resid 1128 and name HG2%) 2.300 0.600 0.600 peak 6965 spectrum 1 weight 0.10000E+01 volume 0.62778E-02 ppm1 8.012 ppm2 0.900 CV 1 ASSI { 6966} (( segid " " and resid 1161 and name HN )) (( segid " " and resid 1162 and name HN )) 3.000 1.200 1.200 peak 6966 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 8.124 ppm2 7.685 CV 1 ASSI { 6968} (( segid " " and resid 1128 and name HN )) ( segid " " and resid 1129 and name HB% ) 2.900 2.900 3.100 peak 6968 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 8.012 ppm2 1.412 CV 1 ASSI { 6970} (( segid " " and resid 1124 and name HD21)) ( segid " " and resid 1120 and name HG2%) 3.300 1.400 1.400 peak 6970 spectrum 1 weight 0.10000E+01 volume 0.62326E-03 ppm1 6.914 ppm2 0.884 CV 1 ASSI { 6974} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1189 and name HA )) 2.200 0.600 0.600 peak 6974 spectrum 1 weight 0.10000E+01 volume 0.69980E-02 ppm1 7.632 ppm2 4.147 CV 1 ASSI { 6976} (( segid " " and resid 1192 and name HN )) (( segid " " and resid 1191 and name HA )) 2.700 0.900 0.900 peak 6976 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 8.003 ppm2 4.474 CV 1 ASSI { 6981} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1185 and name HB1 )) 2.200 0.600 0.600 peak 6981 spectrum 1 weight 0.10000E+01 volume 0.74017E-02 ppm1 7.916 ppm2 1.913 CV 1 OR { 6981} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1185 and name HB2 )) ASSI { 6983} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1183 and name HB2 )) 3.200 3.200 2.800 peak 6983 spectrum 1 weight 0.10000E+01 volume 0.76536E-03 ppm1 7.917 ppm2 2.293 CV 1 OR { 6983} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1183 and name HG1 )) ASSI { 6984} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1185 and name HD1 )) 3.000 1.200 1.200 peak 6984 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 7.912 ppm2 3.174 CV 1 OR { 6984} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1185 and name HD2 )) ASSI { 6986} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1182 and name HA )) 2.800 1.000 1.000 peak 6986 spectrum 1 weight 0.10000E+01 volume 0.18536E-02 ppm1 7.916 ppm2 4.171 CV 1 ASSI { 6989} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1188 and name HB2 )) 2.700 0.900 0.900 peak 6989 spectrum 1 weight 0.10000E+01 volume 0.24220E-02 ppm1 7.630 ppm2 1.767 CV 1 ASSI { 6990} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1189 and name HB2 )) 2.200 0.600 0.600 peak 6990 spectrum 1 weight 0.10000E+01 volume 0.75566E-02 ppm1 7.632 ppm2 2.086 CV 1 OR { 6990} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1189 and name HB1 )) ASSI { 6991} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1189 and name HG2 )) 2.600 2.600 3.400 peak 6991 spectrum 1 weight 0.10000E+01 volume 0.27320E-02 ppm1 7.632 ppm2 2.413 CV 1 ASSI { 6994} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1188 and name HN )) 2.400 0.700 0.700 peak 6994 spectrum 1 weight 0.10000E+01 volume 0.41368E-02 ppm1 7.632 ppm2 8.007 CV 1 ASSI { 7005} (( segid " " and resid 1169 and name HN )) ( segid " " and resid 1165 and name HG2%) 3.300 1.300 1.300 peak 7005 spectrum 1 weight 0.10000E+01 volume 0.67170E-03 ppm1 8.240 ppm2 1.202 CV 1 ASSI { 7008} (( segid " " and resid 1169 and name HN )) (( segid " " and resid 1169 and name HG1 )) 2.800 0.900 0.900 peak 7008 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 8.245 ppm2 2.408 CV 1 ASSI { 7009} (( segid " " and resid 1169 and name HN )) (( segid " " and resid 1169 and name HB1 )) 2.600 0.800 0.800 peak 7009 spectrum 1 weight 0.10000E+01 volume 0.27417E-02 ppm1 8.241 ppm2 2.039 CV 1 ASSI { 7012} (( segid " " and resid 1169 and name HN )) (( segid " " and resid 1169 and name HA )) 2.500 0.800 0.800 peak 7012 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 8.246 ppm2 4.123 CV 1 ASSI { 7038} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1181 and name HN )) 2.700 0.900 0.900 peak 7038 spectrum 1 weight 0.10000E+01 volume 0.21055E-02 ppm1 7.801 ppm2 8.973 CV 1 ASSI { 7042} (( segid " " and resid 1149 and name HN )) (( segid " " and resid 1149 and name HG11)) 2.400 0.700 0.700 peak 7042 spectrum 1 weight 0.10000E+01 volume 0.50087E-02 ppm1 8.330 ppm2 0.837 CV 1 ASSI { 7045} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1174 and name HG1 )) 2.800 1.000 1.000 peak 7045 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 8.389 ppm2 1.280 CV 1 ASSI { 7047} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1174 and name HB1 )) 2.300 0.700 0.700 peak 7047 spectrum 1 weight 0.10000E+01 volume 0.50959E-02 ppm1 8.388 ppm2 1.893 CV 1 ASSI { 7048} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1174 and name HE1 )) 3.300 1.400 1.400 peak 7048 spectrum 1 weight 0.10000E+01 volume 0.63941E-03 ppm1 8.392 ppm2 2.819 CV 1 ASSI { 7049} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1173 and name HB2 )) 2.400 0.700 0.700 peak 7049 spectrum 1 weight 0.10000E+01 volume 0.46955E-02 ppm1 8.387 ppm2 3.892 CV 1 OR { 7049} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1173 and name HB1 )) ASSI { 7051} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1175 and name HN )) 2.800 1.000 1.000 peak 7051 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 8.392 ppm2 7.977 CV 1 ASSI { 7054} (( segid " " and resid 1170 and name HN )) (( segid " " and resid 1170 and name HB1 )) 2.400 0.700 0.700 peak 7054 spectrum 1 weight 0.10000E+01 volume 0.46147E-02 ppm1 8.411 ppm2 1.501 CV 1 ASSI { 7055} (( segid " " and resid 1170 and name HN )) (( segid " " and resid 1170 and name HB2 )) 2.500 0.800 0.800 peak 7055 spectrum 1 weight 0.10000E+01 volume 0.37977E-02 ppm1 8.413 ppm2 2.080 CV 1 ASSI { 7056} (( segid " " and resid 1170 and name HN )) (( segid " " and resid 1169 and name HG1 )) 3.200 1.300 1.300 peak 7056 spectrum 1 weight 0.10000E+01 volume 0.74275E-03 ppm1 8.410 ppm2 2.422 CV 1 ASSI { 7057} (( segid " " and resid 1168 and name HN )) ( segid " " and resid 1164 and name HD1%) 2.700 0.900 0.900 peak 7057 spectrum 1 weight 0.10000E+01 volume 0.20958E-02 ppm1 8.004 ppm2 0.842 CV 1 OR { 7057} (( segid " " and resid 1168 and name HN )) ( segid " " and resid 1164 and name HD2%) ASSI { 7058} (( segid " " and resid 1170 and name HN )) (( segid " " and resid 1170 and name HA )) 2.400 0.700 0.700 peak 7058 spectrum 1 weight 0.10000E+01 volume 0.40819E-02 ppm1 8.408 ppm2 3.918 CV 1 ASSI { 7061} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1149 and name HG11)) 3.200 1.300 1.300 peak 7061 spectrum 1 weight 0.10000E+01 volume 0.83963E-03 ppm1 8.140 ppm2 0.802 CV 1 OR { 7061} (( segid " " and resid 1148 and name HN )) ( segid " " and resid 1149 and name HD1%) OR { 7061} (( segid " " and resid 1148 and name HN )) ( segid " " and resid 1149 and name HG2%) ASSI { 7067} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1144 and name HA1 )) 2.600 2.600 3.400 peak 7067 spectrum 1 weight 0.10000E+01 volume 0.24736E-02 ppm1 8.142 ppm2 3.904 CV 1 OR { 7067} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1144 and name HA2 )) ASSI { 7071} (( segid " " and resid 1168 and name HN )) (( segid " " and resid 1168 and name HB2 )) 2.200 0.600 0.600 peak 7071 spectrum 1 weight 0.10000E+01 volume 0.71594E-02 ppm1 8.004 ppm2 2.221 CV 1 ASSI { 7072} (( segid " " and resid 1168 and name HN )) (( segid " " and resid 1167 and name HB1 )) 2.700 0.900 0.900 peak 7072 spectrum 1 weight 0.10000E+01 volume 0.24220E-02 ppm1 8.008 ppm2 1.999 CV 1 ASSI { 7074} (( segid " " and resid 1168 and name HN )) (( segid " " and resid 1168 and name HA )) 2.300 0.700 0.700 peak 7074 spectrum 1 weight 0.10000E+01 volume 0.53672E-02 ppm1 8.006 ppm2 3.974 CV 1 ASSI { 7083} (( segid " " and resid 1138 and name HN )) ( segid " " and resid 1137 and name HG2%) 2.500 0.800 0.800 peak 7083 spectrum 1 weight 0.10000E+01 volume 0.33327E-02 ppm1 8.193 ppm2 0.817 CV 1 ASSI { 7085} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1137 and name HB )) 2.400 0.700 0.700 peak 7085 spectrum 1 weight 0.10000E+01 volume 0.48181E-02 ppm1 8.191 ppm2 1.937 CV 1 ASSI { 7092} (( segid " " and resid 1194 and name HN )) (( segid " " and resid 1193 and name HB2 )) 2.900 1.100 1.100 peak 7092 spectrum 1 weight 0.10000E+01 volume 0.13725E-02 ppm1 8.244 ppm2 1.587 CV 1 OR { 7092} (( segid " " and resid 1194 and name HN )) (( segid " " and resid 1193 and name HG )) ASSI { 7093} (( segid " " and resid 1194 and name HN )) (( segid " " and resid 1194 and name HB1 )) 2.500 2.500 3.500 peak 7093 spectrum 1 weight 0.10000E+01 volume 0.38332E-02 ppm1 8.244 ppm2 1.924 CV 1 ASSI { 7096} (( segid " " and resid 1194 and name HN )) (( segid " " and resid 1193 and name HA )) 2.400 0.700 0.700 peak 7096 spectrum 1 weight 0.10000E+01 volume 0.46438E-02 ppm1 8.241 ppm2 4.204 CV 1 ASSI { 7099} (( segid " " and resid 1187 and name HN )) (( segid " " and resid 1187 and name HA )) 2.300 0.700 0.700 peak 7099 spectrum 1 weight 0.10000E+01 volume 0.53187E-02 ppm1 8.053 ppm2 4.100 CV 1 ASSI { 7104} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1183 and name HB2 )) 2.300 0.700 0.700 peak 7104 spectrum 1 weight 0.10000E+01 volume 0.59743E-02 ppm1 8.293 ppm2 2.305 CV 1 ASSI { 7107} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1183 and name HA )) 2.500 0.800 0.800 peak 7107 spectrum 1 weight 0.10000E+01 volume 0.38429E-02 ppm1 8.295 ppm2 3.940 CV 1 ASSI { 7109} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1182 and name HN )) 2.700 0.900 0.900 peak 7109 spectrum 1 weight 0.10000E+01 volume 0.23251E-02 ppm1 8.292 ppm2 7.814 CV 1 ASSI { 7111} (( segid " " and resid 1193 and name HN )) (( segid " " and resid 1193 and name HG )) 2.200 0.600 0.600 peak 7111 spectrum 1 weight 0.10000E+01 volume 0.71788E-02 ppm1 8.055 ppm2 1.616 CV 1 ASSI { 7112} (( segid " " and resid 1193 and name HN )) (( segid " " and resid 1192 and name HB2 )) 3.000 1.100 1.100 peak 7112 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 8.061 ppm2 2.049 CV 1 ASSI { 7122} (( segid " " and resid 1129 and name HN )) (( segid " " and resid 1129 and name HA )) 2.400 0.700 0.700 peak 7122 spectrum 1 weight 0.10000E+01 volume 0.39786E-02 ppm1 8.013 ppm2 4.172 CV 1 ASSI { 7125} (( segid " " and resid 1163 and name HN )) (( segid " " and resid 1163 and name HB1 )) 2.600 0.800 0.800 peak 7125 spectrum 1 weight 0.10000E+01 volume 0.29258E-02 ppm1 7.719 ppm2 1.355 CV 1 ASSI { 7127} (( segid " " and resid 1163 and name HN )) (( segid " " and resid 1163 and name HB2 )) 2.600 0.800 0.800 peak 7127 spectrum 1 weight 0.10000E+01 volume 0.29775E-02 ppm1 7.719 ppm2 1.841 CV 1 ASSI { 7129} (( segid " " and resid 1163 and name HN )) (( segid " " and resid 1160 and name HA )) 2.500 0.800 0.800 peak 7129 spectrum 1 weight 0.10000E+01 volume 0.32842E-02 ppm1 7.720 ppm2 3.929 CV 1 ASSI { 7131} (( segid " " and resid 1162 and name HN )) ( segid " " and resid 1162 and name HD2%) 2.800 1.000 1.000 peak 7131 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 7.673 ppm2 0.657 CV 1 ASSI { 7133} (( segid " " and resid 1162 and name HN )) (( segid " " and resid 1162 and name HB2 )) 2.700 0.900 0.900 peak 7133 spectrum 1 weight 0.10000E+01 volume 0.22767E-02 ppm1 7.677 ppm2 1.098 CV 1 ASSI { 7135} (( segid " " and resid 1162 and name HN )) (( segid " " and resid 1161 and name HB1 )) 2.500 0.800 0.800 peak 7135 spectrum 1 weight 0.10000E+01 volume 0.36007E-02 ppm1 7.681 ppm2 1.825 CV 1 OR { 7135} (( segid " " and resid 1162 and name HN )) (( segid " " and resid 1161 and name HB2 )) ASSI { 7137} (( segid " " and resid 1137 and name HN )) (( segid " " and resid 1134 and name HA )) 2.700 0.900 0.900 peak 7137 spectrum 1 weight 0.10000E+01 volume 0.20538E-02 ppm1 7.659 ppm2 3.934 CV 1 ASSI { 7143} (( segid " " and resid 1179 and name HN )) ( segid " " and resid 1179 and name HG2%) 2.400 2.400 3.600 peak 7143 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 7.683 ppm2 0.827 CV 1 ASSI { 7146} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1179 and name HG12)) 2.500 0.800 0.800 peak 7146 spectrum 1 weight 0.10000E+01 volume 0.36007E-02 ppm1 7.683 ppm2 1.776 CV 1 ASSI { 7154} (( segid " " and resid 1180 and name HN )) (( segid " " and resid 1180 and name HG11)) 2.400 0.700 0.700 peak 7154 spectrum 1 weight 0.10000E+01 volume 0.42660E-02 ppm1 8.565 ppm2 0.879 CV 1 ASSI { 7156} (( segid " " and resid 1180 and name HN )) (( segid " " and resid 1180 and name HB )) 2.500 0.800 0.800 peak 7156 spectrum 1 weight 0.10000E+01 volume 0.35458E-02 ppm1 8.562 ppm2 1.776 CV 1 ASSI { 7157} (( segid " " and resid 1180 and name HN )) (( segid " " and resid 1179 and name HB )) 2.700 0.900 0.900 peak 7157 spectrum 1 weight 0.10000E+01 volume 0.22412E-02 ppm1 8.561 ppm2 1.946 CV 1 ASSI { 7158} (( segid " " and resid 1180 and name HN )) (( segid " " and resid 1180 and name HA )) 2.800 1.000 1.000 peak 7158 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 8.565 ppm2 3.687 CV 1 ASSI { 7162} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1150 and name HA )) 2.300 2.300 3.700 peak 7162 spectrum 1 weight 0.10000E+01 volume 0.56320E-02 ppm1 7.898 ppm2 3.941 CV 1 ASSI { 7165} (( segid " " and resid 1186 and name HN )) (( segid " " and resid 1183 and name HB2 )) 3.300 1.400 1.400 peak 7165 spectrum 1 weight 0.10000E+01 volume 0.65555E-03 ppm1 7.684 ppm2 2.305 CV 1 OR { 7165} (( segid " " and resid 1186 and name HN )) (( segid " " and resid 1183 and name HG1 )) ASSI { 7169} (( segid " " and resid 1142 and name HN )) ( segid " " and resid 1141 and name HG1%) 2.700 0.900 0.900 peak 7169 spectrum 1 weight 0.10000E+01 volume 0.23381E-02 ppm1 8.479 ppm2 0.934 CV 1 ASSI { 7175} (( segid " " and resid 1193 and name HN )) (( segid " " and resid 1192 and name HG2 )) 3.400 1.400 1.400 peak 7175 spectrum 1 weight 0.10000E+01 volume 0.59420E-03 ppm1 8.046 ppm2 2.344 CV 1 OR { 7175} (( segid " " and resid 1193 and name HN )) (( segid " " and resid 1192 and name HG1 )) ASSI { 7177} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1139 and name HA )) 3.000 1.100 1.100 peak 7177 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 8.479 ppm2 3.924 CV 1 ASSI { 7185} (( segid " " and resid 1166 and name HN )) (( segid " " and resid 1149 and name HG12)) 3.300 1.300 1.300 peak 7185 spectrum 1 weight 0.10000E+01 volume 0.70400E-03 ppm1 8.174 ppm2 1.860 CV 1 ASSI { 7188} (( segid " " and resid 1166 and name HN )) (( segid " " and resid 1165 and name HB )) 2.500 0.800 0.800 peak 7188 spectrum 1 weight 0.10000E+01 volume 0.39043E-02 ppm1 8.178 ppm2 4.177 CV 1 ASSI { 7189} (( segid " " and resid 1166 and name HN )) (( segid " " and resid 1165 and name HN )) 2.700 0.900 0.900 peak 7189 spectrum 1 weight 0.10000E+01 volume 0.21636E-02 ppm1 8.173 ppm2 7.853 CV 1 ASSI { 7196} (( segid " " and resid 1130 and name HN )) ( segid " " and resid 1128 and name HG1%) 3.200 1.300 1.300 peak 7196 spectrum 1 weight 0.10000E+01 volume 0.79764E-03 ppm1 8.226 ppm2 0.830 CV 1 ASSI { 7202} (( segid " " and resid 1130 and name HN )) (( segid " " and resid 1129 and name HN )) 3.200 1.300 1.300 peak 7202 spectrum 1 weight 0.10000E+01 volume 0.83963E-03 ppm1 8.226 ppm2 8.006 CV 1 ASSI { 7206} (( segid " " and resid 1144 and name HN )) ( segid " " and resid 1145 and name HB% ) 3.300 1.300 1.300 peak 7206 spectrum 1 weight 0.10000E+01 volume 0.67170E-03 ppm1 8.256 ppm2 1.541 CV 1 ASSI { 7211} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1145 and name HN )) 3.000 1.100 1.100 peak 7211 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 8.268 ppm2 8.529 CV 1 ASSI { 7224} (( segid " " and resid 1171 and name HN )) (( segid " " and resid 1172 and name HB2 )) 3.400 1.400 1.400 peak 7224 spectrum 1 weight 0.10000E+01 volume 0.57482E-03 ppm1 7.840 ppm2 2.766 CV 1 ASSI { 7225} (( segid " " and resid 1171 and name HN )) (( segid " " and resid 1172 and name HN )) 2.500 0.800 0.800 peak 7225 spectrum 1 weight 0.10000E+01 volume 0.32713E-02 ppm1 7.844 ppm2 8.450 CV 1 ASSI { 7230} (( segid " " and resid 1137 and name HN )) (( segid " " and resid 1137 and name HB )) 2.400 0.700 0.700 peak 7230 spectrum 1 weight 0.10000E+01 volume 0.45888E-02 ppm1 7.662 ppm2 1.955 CV 1 ASSI { 9724} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1183 and name HB2 )) 2.800 1.000 1.000 peak 9724 spectrum 1 weight 0.10000E+01 volume 0.18536E-02 ppm1 6.971 ppm2 2.327 CV 1 OR { 9724} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1183 and name HG1 )) ASSI { 9725} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1183 and name HG2 )) 3.000 1.100 1.100 peak 9725 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 6.973 ppm2 2.594 CV 1 ASSI { 9727} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1180 and name HG12)) 3.400 1.500 1.500 peak 9727 spectrum 1 weight 0.10000E+01 volume 0.53930E-03 ppm1 6.974 ppm2 1.771 CV 1 OR { 9727} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1180 and name HB )) ASSI { 9728} (( segid " " and resid 1171 and name HE22)) (( segid " " and resid 1171 and name HE21)) 1.700 0.400 0.500 peak 9728 spectrum 1 weight 0.10000E+01 volume 0.36072E-01 ppm1 7.381 ppm2 6.869 CV 1 ASSI { 9729} (( segid " " and resid 1154 and name HD21)) (( segid " " and resid 1154 and name HD22)) 2.100 0.500 0.500 peak 9729 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 7.030 ppm2 7.631 CV 1 ASSI { 9913} (( segid " " and resid 1124 and name HD21)) (( segid " " and resid 1124 and name HB2 )) 3.000 1.100 1.100 peak 9913 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 6.913 ppm2 2.778 CV 1 OR { 9913} (( segid " " and resid 1124 and name HD21)) (( segid " " and resid 1124 and name HB1 )) ASSI { 9918} (( segid " " and resid 1135 and name HN )) ( segid " " and resid 1180 and name HD1%) 3.000 1.100 1.100 peak 9918 spectrum 1 weight 0.10000E+01 volume 0.11884E-02 ppm1 8.664 ppm2 0.694 CV 1 ASSI { 9953} (( segid " " and resid 1150 and name HN )) (( segid " " and resid 1150 and name HG1 )) 2.700 0.900 0.900 peak 9953 spectrum 1 weight 0.10000E+01 volume 0.20571E-02 ppm1 7.675 ppm2 2.385 CV 1 ASSI { 9954} (( segid " " and resid 1150 and name HN )) (( segid " " and resid 1150 and name HB1 )) 2.300 0.700 0.700 peak 9954 spectrum 1 weight 0.10000E+01 volume 0.59581E-02 ppm1 7.677 ppm2 2.146 CV 1 ASSI { 9955} (( segid " " and resid 1150 and name HN )) (( segid " " and resid 1149 and name HB )) 2.500 0.800 0.800 peak 9955 spectrum 1 weight 0.10000E+01 volume 0.38009E-02 ppm1 7.696 ppm2 1.874 CV 1 ASSI { 9959} (( segid " " and resid 1137 and name HN )) ( segid " " and resid 1136 and name HB% ) 2.600 0.800 0.800 peak 9959 spectrum 1 weight 0.10000E+01 volume 0.28030E-02 ppm1 7.662 ppm2 1.492 CV 1 ASSI {10992} (( segid " " and resid 1198 and name HN )) ( segid " " and resid 1198 and name HB% ) 3.300 1.400 1.400 peak 10992 spectrum 1 weight 0.10000E+01 volume 0.60065E-03 ppm1 8.122 ppm2 1.302 CV 1 ASSI {10994} (( segid " " and resid 1167 and name HE22)) ( segid " " and resid 1149 and name HG2%) 2.400 0.700 0.700 peak 10994 spectrum 1 weight 0.10000E+01 volume 0.43402E-02 ppm1 7.109 ppm2 0.843 CV 1 ASSI {10995} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1167 and name HG1 )) 2.500 0.800 0.800 peak 10995 spectrum 1 weight 0.10000E+01 volume 0.31002E-02 ppm1 7.108 ppm2 2.321 CV 1 ASSI {10998} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1163 and name HG )) 3.100 3.100 2.900 peak 10998 spectrum 1 weight 0.10000E+01 volume 0.88807E-03 ppm1 7.102 ppm2 1.414 CV 1 ASSI {11005} (( segid " " and resid 1183 and name HE21)) (( segid " " and resid 1180 and name HG12)) 3.100 1.200 1.200 peak 11005 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 6.606 ppm2 1.783 CV 1 ASSI {11008} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1179 and name HA )) 3.200 1.200 1.200 peak 11008 spectrum 1 weight 0.10000E+01 volume 0.84931E-03 ppm1 6.980 ppm2 3.699 CV 1 ASSI {11010} (( segid " " and resid 1183 and name HE22)) ( segid " " and resid 1179 and name HG2%) 2.500 0.800 0.800 peak 11010 spectrum 1 weight 0.10000E+01 volume 0.31551E-02 ppm1 6.971 ppm2 0.854 CV 1 ASSI {11017} (( segid " " and resid 1150 and name HE22)) (( segid " " and resid 1153 and name HB2 )) 3.100 1.200 1.200 peak 11017 spectrum 1 weight 0.10000E+01 volume 0.92359E-03 ppm1 7.614 ppm2 3.965 CV 1 ASSI {11018} (( segid " " and resid 1150 and name HE21)) (( segid " " and resid 1153 and name HB2 )) 3.100 1.200 1.200 peak 11018 spectrum 1 weight 0.10000E+01 volume 0.90099E-03 ppm1 6.742 ppm2 3.968 CV 1 ASSI {11019} (( segid " " and resid 1150 and name HE22)) (( segid " " and resid 1150 and name HG2 )) 2.300 0.700 0.700 peak 11019 spectrum 1 weight 0.10000E+01 volume 0.50700E-02 ppm1 7.613 ppm2 2.414 CV 1 ASSI {11021} (( segid " " and resid 1150 and name HE22)) ( segid " " and resid 1149 and name HG2%) 3.000 1.200 1.200 peak 11021 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 7.616 ppm2 0.849 CV 1 ASSI {11025} (( segid " " and resid 1150 and name HE21)) ( segid " " and resid 1149 and name HG2%) 3.100 1.200 1.200 peak 11025 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 6.740 ppm2 0.857 CV 1 ASSI {11026} (( segid " " and resid 1171 and name HE22)) (( segid " " and resid 1171 and name HG1 )) 2.500 0.800 0.800 peak 11026 spectrum 1 weight 0.10000E+01 volume 0.36200E-02 ppm1 7.380 ppm2 2.415 CV 1 OR {11026} (( segid " " and resid 1171 and name HE22)) (( segid " " and resid 1171 and name HG2 )) ASSI {11029} (( segid " " and resid 1196 and name HE22)) (( segid " " and resid 1196 and name HG1 )) 2.600 0.800 0.800 peak 11029 spectrum 1 weight 0.10000E+01 volume 0.28515E-02 ppm1 7.476 ppm2 2.330 CV 1 OR {11029} (( segid " " and resid 1196 and name HE22)) (( segid " " and resid 1196 and name HG2 )) ASSI {11030} (( segid " " and resid 1196 and name HE21)) (( segid " " and resid 1196 and name HB2 )) 3.200 1.300 1.300 peak 11030 spectrum 1 weight 0.10000E+01 volume 0.78796E-03 ppm1 6.761 ppm2 2.072 CV 1 ASSI {11032} (( segid " " and resid 1196 and name HE22)) ( segid " " and resid 1193 and name HD2%) 3.200 1.300 1.300 peak 11032 spectrum 1 weight 0.10000E+01 volume 0.81379E-03 ppm1 7.470 ppm2 0.842 CV 1 ASSI {11038} (( segid " " and resid 1168 and name HE22)) (( segid " " and resid 1168 and name HG2 )) 2.800 0.900 0.900 peak 11038 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 7.424 ppm2 2.384 CV 1 OR {11038} (( segid " " and resid 1168 and name HE22)) (( segid " " and resid 1168 and name HG1 )) ASSI {11048} (( segid " " and resid 1147 and name HD21)) (( segid " " and resid 1150 and name HG2 )) 3.200 1.300 1.300 peak 11048 spectrum 1 weight 0.10000E+01 volume 0.81379E-03 ppm1 6.874 ppm2 2.454 CV 1 ASSI {11052} (( segid " " and resid 1134 and name HE22)) (( segid " " and resid 1134 and name HG2 )) 2.600 0.800 0.800 peak 11052 spectrum 1 weight 0.10000E+01 volume 0.28386E-02 ppm1 7.501 ppm2 2.506 CV 1 ASSI {11058} (( segid " " and resid 1134 and name HE22)) (( segid " " and resid 1134 and name HB1 )) 3.300 1.300 1.300 peak 11058 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 7.495 ppm2 2.149 CV 1 ASSI {11060} (( segid " " and resid 1134 and name HE22)) ( segid " " and resid 1137 and name HG2%) 2.700 2.700 3.300 peak 11060 spectrum 1 weight 0.10000E+01 volume 0.20119E-02 ppm1 7.500 ppm2 0.840 CV 1 ASSI {11064} (( segid " " and resid 1189 and name HE21)) (( segid " " and resid 1189 and name HG2 )) 2.600 0.900 0.900 peak 11064 spectrum 1 weight 0.10000E+01 volume 0.26254E-02 ppm1 6.722 ppm2 2.456 CV 1 ASSI { 1468} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1140 and name HB2 )) 2.400 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.43693E-02 ppm1 7.377 ppm2 2.017 CV 1 ASSI { 1563} (( segid " " and resid 1188 and name HN )) (( segid " " and resid 1188 and name HB1 )) 2.600 2.600 3.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.28224E-02 ppm1 8.002 ppm2 1.478 CV 1 ASSI { 1565} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1143 and name HN )) 3.000 1.100 1.100 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 8.478 ppm2 7.889 CV 1 ASSI { 2257} (( segid " " and resid 1143 and name HN )) ( segid " " and resid 1139 and name HD2%) 3.200 3.200 2.800 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.74275E-03 ppm1 7.850 ppm2 0.845 CV 1 ASSI { 2553} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1132 and name HB1 )) 2.400 0.700 0.700 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.43435E-02 ppm1 8.669 ppm2 1.934 CV 1 ASSI { 2555} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1142 and name HB2 )) 2.600 0.900 0.900 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 8.475 ppm2 2.006 CV 1 ASSI { 2567} (( segid " " and resid 1189 and name HE22)) (( segid " " and resid 1189 and name HG2 )) 2.700 0.900 0.900 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 7.461 ppm2 2.423 CV 1 ASSI { 6752} (( segid " " and resid 1176 and name HN )) (( segid " " and resid 1176 and name HB2 )) 2.600 0.800 0.800 peak 6752 spectrum 1 weight 0.10000E+01 volume 0.30453E-02 ppm1 7.825 ppm2 1.934 CV 1 ASSI { 6755} (( segid " " and resid 1176 and name HN )) ( segid " " and resid 1175 and name HG2%) 2.800 1.000 1.000 peak 6755 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 7.825 ppm2 1.235 CV 1 ASSI { 6760} (( segid " " and resid 1176 and name HN )) (( segid " " and resid 1177 and name HN )) 2.900 1.100 1.100 peak 6760 spectrum 1 weight 0.10000E+01 volume 0.13596E-02 ppm1 7.830 ppm2 8.862 CV 1 ASSI { 6765} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1177 and name HA )) 2.900 1.100 1.100 peak 6765 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 8.840 ppm2 3.359 CV 1 ASSI { 6768} (( segid " " and resid 1177 and name HN )) (( segid " " and resid 1178 and name HN )) 2.900 1.000 1.000 peak 6768 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 8.846 ppm2 7.748 CV 1 ASSI { 6772} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1150 and name HB1 )) 2.500 0.800 0.800 peak 6772 spectrum 1 weight 0.10000E+01 volume 0.33650E-02 ppm1 7.899 ppm2 2.152 CV 1 ASSI { 6775} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1149 and name HA )) 3.300 1.400 1.400 peak 6775 spectrum 1 weight 0.10000E+01 volume 0.64263E-03 ppm1 7.902 ppm2 3.471 CV 1 ASSI { 6776} (( segid " " and resid 1151 and name HN )) (( segid " " and resid 1150 and name HN )) 2.700 0.900 0.900 peak 6776 spectrum 1 weight 0.10000E+01 volume 0.20054E-02 ppm1 7.897 ppm2 7.690 CV 1 ASSI { 6781} (( segid " " and resid 1175 and name HN )) (( segid " " and resid 1174 and name HG2 )) 3.100 1.200 1.200 peak 6781 spectrum 1 weight 0.10000E+01 volume 0.95912E-03 ppm1 7.973 ppm2 1.619 CV 1 ASSI { 6782} (( segid " " and resid 1175 and name HN )) (( segid " " and resid 1174 and name HB1 )) 2.600 0.800 0.800 peak 6782 spectrum 1 weight 0.10000E+01 volume 0.30129E-02 ppm1 7.983 ppm2 1.901 CV 1 ASSI { 6789} (( segid " " and resid 1165 and name HN )) ( segid " " and resid 1165 and name HG2%) 2.700 2.700 3.300 peak 6789 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 7.844 ppm2 1.217 CV 1 ASSI { 6795} (( segid " " and resid 1173 and name HN )) ( segid " " and resid 1141 and name HG1%) 3.200 1.300 1.300 peak 6795 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 8.240 ppm2 0.906 CV 1 ASSI { 6799} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1171 and name HB1 )) 3.300 1.300 1.300 peak 6799 spectrum 1 weight 0.10000E+01 volume 0.67816E-03 ppm1 8.232 ppm2 2.128 CV 1 OR { 6799} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1171 and name HB2 )) ASSI { 6801} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1173 and name HA )) 2.500 0.800 0.800 peak 6801 spectrum 1 weight 0.10000E+01 volume 0.37718E-02 ppm1 8.229 ppm2 4.335 CV 1 ASSI { 6803} (( segid " " and resid 1173 and name HN )) (( segid " " and resid 1172 and name HB1 )) 2.800 1.000 1.000 peak 6803 spectrum 1 weight 0.10000E+01 volume 0.17213E-02 ppm1 8.230 ppm2 2.670 CV 1 ASSI { 6807} (( segid " " and resid 1153 and name HN )) ( segid " " and resid 1163 and name HD2%) 3.000 1.100 1.100 peak 6807 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 7.836 ppm2 0.858 CV 1 ASSI { 6808} (( segid " " and resid 1153 and name HN )) (( segid " " and resid 1152 and name HB1 )) 3.300 1.400 1.400 peak 6808 spectrum 1 weight 0.10000E+01 volume 0.62972E-03 ppm1 7.833 ppm2 2.612 CV 1 ASSI { 6811} (( segid " " and resid 1153 and name HN )) (( segid " " and resid 1153 and name HA )) 2.800 0.900 0.900 peak 6811 spectrum 1 weight 0.10000E+01 volume 0.19440E-02 ppm1 7.838 ppm2 4.417 CV 1 ASSI { 6812} (( segid " " and resid 1152 and name HN )) (( segid " " and resid 1152 and name HB1 )) 2.300 0.700 0.700 peak 6812 spectrum 1 weight 0.10000E+01 volume 0.51250E-02 ppm1 8.117 ppm2 2.618 CV 1 ASSI { 6813} (( segid " " and resid 1153 and name HN )) ( segid " " and resid 1152 and name HD% ) 3.300 1.400 1.400 peak 6813 spectrum 1 weight 0.10000E+01 volume 0.61035E-03 ppm1 7.840 ppm2 6.981 CV 1 ASSI { 6817} (( segid " " and resid 1167 and name HN )) ( segid " " and resid 1166 and name HB% ) 2.600 0.900 0.900 peak 6817 spectrum 1 weight 0.10000E+01 volume 0.26416E-02 ppm1 8.650 ppm2 1.597 CV 1 ASSI { 6820} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1167 and name HG2 )) 2.700 0.900 0.900 peak 6820 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 8.647 ppm2 2.583 CV 1 ASSI { 6821} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1167 and name HA )) 2.500 0.800 0.800 peak 6821 spectrum 1 weight 0.10000E+01 volume 0.35458E-02 ppm1 8.648 ppm2 3.939 CV 1 ASSI { 6822} (( segid " " and resid 1167 and name HN )) (( segid " " and resid 1166 and name HA )) 2.700 0.900 0.900 peak 6822 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 8.648 ppm2 4.156 CV 1 ASSI { 6828} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1181 and name HB1 )) 2.900 1.100 1.100 peak 6828 spectrum 1 weight 0.10000E+01 volume 0.13919E-02 ppm1 8.948 ppm2 1.546 CV 1 ASSI { 6829} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1182 and name HB2 )) 3.300 3.300 2.700 peak 6829 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 8.948 ppm2 2.244 CV 1 ASSI { 6831} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1181 and name HA )) 2.800 1.000 1.000 peak 6831 spectrum 1 weight 0.10000E+01 volume 0.18278E-02 ppm1 8.947 ppm2 3.893 CV 1 ASSI { 6834} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1178 and name HA )) 3.000 1.200 1.200 peak 6834 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 8.945 ppm2 4.360 CV 1 ASSI { 6835} (( segid " " and resid 1181 and name HN )) (( segid " " and resid 1180 and name HN )) 3.000 1.200 1.200 peak 6835 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 8.948 ppm2 8.561 CV 1 ASSI { 6839} (( segid " " and resid 1146 and name HN )) (( segid " " and resid 1146 and name HB1 )) 2.600 0.800 0.800 peak 6839 spectrum 1 weight 0.10000E+01 volume 0.27772E-02 ppm1 8.508 ppm2 1.909 CV 1 ASSI { 6841} (( segid " " and resid 1146 and name HN )) (( segid " " and resid 1146 and name HG2 )) 2.700 0.900 0.900 peak 6841 spectrum 1 weight 0.10000E+01 volume 0.23316E-02 ppm1 8.509 ppm2 2.558 CV 1 ASSI { 6842} (( segid " " and resid 1146 and name HN )) (( segid " " and resid 1146 and name HA )) 2.600 0.800 0.800 peak 6842 spectrum 1 weight 0.10000E+01 volume 0.28160E-02 ppm1 8.508 ppm2 3.868 CV 1 ASSI { 6853} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1131 and name HB1 )) 3.100 1.200 1.200 peak 6853 spectrum 1 weight 0.10000E+01 volume 0.88161E-03 ppm1 8.669 ppm2 1.181 CV 1 ASSI { 6854} (( segid " " and resid 1132 and name HN )) ( segid " " and resid 1129 and name HB% ) 3.100 1.200 1.200 peak 6854 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 8.679 ppm2 1.429 CV 1 ASSI { 6856} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1131 and name HG )) 3.000 1.100 1.100 peak 6856 spectrum 1 weight 0.10000E+01 volume 0.12336E-02 ppm1 8.671 ppm2 1.706 CV 1 ASSI { 6857} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1132 and name HG2 )) 2.600 0.900 0.900 peak 6857 spectrum 1 weight 0.10000E+01 volume 0.24833E-02 ppm1 8.671 ppm2 2.509 CV 1 ASSI { 6858} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1132 and name HA )) 2.600 0.900 0.900 peak 6858 spectrum 1 weight 0.10000E+01 volume 0.26545E-02 ppm1 8.669 ppm2 3.839 CV 1 ASSI { 6860} (( segid " " and resid 1132 and name HN )) (( segid " " and resid 1128 and name HA )) 3.300 1.300 1.300 peak 6860 spectrum 1 weight 0.10000E+01 volume 0.67170E-03 ppm1 8.661 ppm2 3.452 CV 1 ASSI { 6863} (( segid " " and resid 1139 and name HN )) (( segid " " and resid 1139 and name HB1 )) 2.800 1.000 1.000 peak 6863 spectrum 1 weight 0.10000E+01 volume 0.17019E-02 ppm1 8.729 ppm2 1.397 CV 1 ASSI { 6876} (( segid " " and resid 1192 and name HN )) (( segid " " and resid 1192 and name HG2 )) 2.800 1.000 1.000 peak 6876 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 8.002 ppm2 2.338 CV 1 OR { 6876} (( segid " " and resid 1192 and name HN )) (( segid " " and resid 1192 and name HG1 )) ASSI { 6888} (( segid " " and resid 1184 and name HN )) ( segid " " and resid 1187 and name HB% ) 3.400 1.500 1.500 peak 6888 spectrum 1 weight 0.10000E+01 volume 0.52315E-03 ppm1 9.004 ppm2 1.334 CV 1 ASSI { 6890} (( segid " " and resid 1190 and name HN )) ( segid " " and resid 1190 and name HB% ) 2.300 0.600 0.600 peak 6890 spectrum 1 weight 0.10000E+01 volume 0.60582E-02 ppm1 7.903 ppm2 1.388 CV 1 ASSI { 6893} (( segid " " and resid 1190 and name HN )) (( segid " " and resid 1189 and name HG2 )) 3.300 1.400 1.400 peak 6893 spectrum 1 weight 0.10000E+01 volume 0.61680E-03 ppm1 7.907 ppm2 2.383 CV 1 ASSI { 6896} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1142 and name HB1 )) 2.400 2.400 3.600 peak 6896 spectrum 1 weight 0.10000E+01 volume 0.43693E-02 ppm1 7.374 ppm2 1.907 CV 1 ASSI { 6900} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1137 and name HA )) 3.000 1.100 1.100 peak 6900 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 7.376 ppm2 3.631 CV 1 ASSI { 6902} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1141 and name HN )) 2.800 1.000 1.000 peak 6902 spectrum 1 weight 0.10000E+01 volume 0.18408E-02 ppm1 7.375 ppm2 7.988 CV 1 ASSI { 6903} (( segid " " and resid 1140 and name HN )) (( segid " " and resid 1139 and name HN )) 2.800 1.000 1.000 peak 6903 spectrum 1 weight 0.10000E+01 volume 0.15985E-02 ppm1 7.379 ppm2 8.744 CV 1 ASSI { 6904} (( segid " " and resid 1131 and name HN )) ( segid " " and resid 1131 and name HD2%) 2.400 0.700 0.700 peak 6904 spectrum 1 weight 0.10000E+01 volume 0.39818E-02 ppm1 7.853 ppm2 0.892 CV 1 ASSI { 6905} (( segid " " and resid 1131 and name HN )) ( segid " " and resid 1131 and name HD1%) 2.800 1.000 1.000 peak 6905 spectrum 1 weight 0.10000E+01 volume 0.17213E-02 ppm1 7.857 ppm2 0.717 CV 1 ASSI { 6906} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1131 and name HB1 )) 2.900 1.100 1.100 peak 6906 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 7.853 ppm2 1.201 CV 1 ASSI { 6909} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1131 and name HG )) 2.600 0.800 0.800 peak 6909 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 7.856 ppm2 1.716 CV 1 ASSI { 6910} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1128 and name HA )) 3.000 1.100 1.100 peak 6910 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 7.856 ppm2 3.460 CV 1 ASSI { 6911} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1131 and name HA )) 2.600 0.900 0.900 peak 6911 spectrum 1 weight 0.10000E+01 volume 0.25480E-02 ppm1 7.853 ppm2 4.113 CV 1 ASSI { 6914} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1132 and name HN )) 2.800 1.000 1.000 peak 6914 spectrum 1 weight 0.10000E+01 volume 0.18504E-02 ppm1 7.858 ppm2 8.674 CV 1 ASSI { 6915} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1142 and name HG2 )) 3.200 1.300 1.300 peak 6915 spectrum 1 weight 0.10000E+01 volume 0.74921E-03 ppm1 7.844 ppm2 1.276 CV 1 OR { 6915} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1142 and name HG1 )) ASSI { 6916} (( segid " " and resid 1131 and name HN )) (( segid " " and resid 1130 and name HN )) 3.200 1.200 1.200 peak 6916 spectrum 1 weight 0.10000E+01 volume 0.86224E-03 ppm1 7.847 ppm2 8.249 CV 1 ASSI { 6918} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1142 and name HD2 )) 3.300 1.400 1.400 peak 6918 spectrum 1 weight 0.10000E+01 volume 0.65555E-03 ppm1 7.846 ppm2 1.488 CV 1 OR { 6918} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1142 and name HD1 )) ASSI { 6919} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1143 and name HB1 )) 2.500 0.800 0.800 peak 6919 spectrum 1 weight 0.10000E+01 volume 0.35652E-02 ppm1 7.849 ppm2 2.126 CV 1 ASSI { 6922} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1143 and name HA )) 2.600 0.900 0.900 peak 6922 spectrum 1 weight 0.10000E+01 volume 0.25803E-02 ppm1 7.845 ppm2 4.131 CV 1 ASSI { 6924} (( segid " " and resid 1143 and name HN )) (( segid " " and resid 1144 and name HN )) 3.200 1.300 1.300 peak 6924 spectrum 1 weight 0.10000E+01 volume 0.79119E-03 ppm1 7.843 ppm2 8.276 CV 1 ASSI { 6928} (( segid " " and resid 1188 and name HN )) ( segid " " and resid 1187 and name HB% ) 2.600 0.800 0.800 peak 6928 spectrum 1 weight 0.10000E+01 volume 0.28224E-02 ppm1 8.002 ppm2 1.389 CV 1 ASSI { 6930} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1178 and name HA )) 3.400 1.400 1.400 peak 6930 spectrum 1 weight 0.10000E+01 volume 0.59097E-03 ppm1 7.810 ppm2 4.401 CV 1 ASSI { 6938} (( segid " " and resid 1189 and name HN )) (( segid " " and resid 1188 and name HB1 )) 2.800 1.000 1.000 peak 6938 spectrum 1 weight 0.10000E+01 volume 0.16760E-02 ppm1 7.631 ppm2 1.503 CV 1 ASSI { 6940} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1149 and name HG11)) 3.300 3.300 2.700 peak 6940 spectrum 1 weight 0.10000E+01 volume 0.64587E-03 ppm1 8.258 ppm2 0.849 CV 1 ASSI { 6943} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1146 and name HB1 )) 2.700 0.900 0.900 peak 6943 spectrum 1 weight 0.10000E+01 volume 0.22315E-02 ppm1 8.258 ppm2 1.909 CV 1 ASSI { 6944} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1147 and name HA )) 2.500 0.800 0.800 peak 6944 spectrum 1 weight 0.10000E+01 volume 0.31551E-02 ppm1 8.255 ppm2 4.422 CV 1 ASSI { 6945} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1146 and name HG2 )) 3.200 3.200 2.800 peak 6945 spectrum 1 weight 0.10000E+01 volume 0.84931E-03 ppm1 8.253 ppm2 2.558 CV 1 ASSI { 6948} (( segid " " and resid 1147 and name HN )) (( segid " " and resid 1147 and name HD21)) 3.300 1.400 1.400 peak 6948 spectrum 1 weight 0.10000E+01 volume 0.62003E-03 ppm1 8.260 ppm2 6.910 CV 1 ASSI { 6951} (( segid " " and resid 1190 and name HN )) (( segid " " and resid 1189 and name HN )) 2.800 1.000 1.000 peak 6951 spectrum 1 weight 0.10000E+01 volume 0.18408E-02 ppm1 7.903 ppm2 7.627 CV 1 ASSI { 6954} (( segid " " and resid 1191 and name HN )) (( segid " " and resid 1191 and name HA )) 2.500 0.800 0.800 peak 6954 spectrum 1 weight 0.10000E+01 volume 0.35749E-02 ppm1 8.114 ppm2 4.473 CV 1 ASSI { 6960} (( segid " " and resid 1152 and name HN )) ( segid " " and resid 1152 and name HE% ) 3.300 1.300 1.300 peak 6960 spectrum 1 weight 0.10000E+01 volume 0.69431E-03 ppm1 8.120 ppm2 6.707 CV 1 ASSI { 6961} (( segid " " and resid 1152 and name HN )) ( segid " " and resid 1152 and name HD% ) 2.800 1.000 1.000 peak 6961 spectrum 1 weight 0.10000E+01 volume 0.18698E-02 ppm1 8.118 ppm2 7.019 CV 1 ASSI { 6963} (( segid " " and resid 1161 and name HN )) (( segid " " and resid 1161 and name HG2 )) 3.200 1.300 1.300 peak 6963 spectrum 1 weight 0.10000E+01 volume 0.79119E-03 ppm1 8.121 ppm2 1.404 CV 1 ASSI { 6972} (( segid " " and resid 1128 and name HN )) (( segid " " and resid 1128 and name HA )) 2.800 1.000 1.000 peak 6972 spectrum 1 weight 0.10000E+01 volume 0.19247E-02 ppm1 8.013 ppm2 3.463 CV 1 ASSI { 6973} (( segid " " and resid 1124 and name HD22)) (( segid " " and resid 1124 and name HD21)) 2.400 0.700 0.700 peak 6973 spectrum 1 weight 0.10000E+01 volume 0.41593E-02 ppm1 7.628 ppm2 6.920 CV 1 ASSI { 6975} (( segid " " and resid 1192 and name HN )) (( segid " " and resid 1192 and name HA )) 2.500 0.800 0.800 peak 6975 spectrum 1 weight 0.10000E+01 volume 0.36330E-02 ppm1 8.006 ppm2 4.219 CV 1 ASSI { 6977} (( segid " " and resid 1128 and name HN )) (( segid " " and resid 1127 and name HG2 )) 3.300 1.300 1.300 peak 6977 spectrum 1 weight 0.10000E+01 volume 0.71691E-03 ppm1 8.015 ppm2 1.652 CV 1 ASSI { 6978} (( segid " " and resid 1184 and name HN )) (( segid " " and resid 1182 and name HN )) 3.200 1.300 1.300 peak 6978 spectrum 1 weight 0.10000E+01 volume 0.73629E-03 ppm1 9.012 ppm2 7.760 CV 1 ASSI { 6987} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1186 and name HN )) 2.600 0.900 0.900 peak 6987 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 7.914 ppm2 7.691 CV 1 ASSI { 6988} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1184 and name HN )) 2.700 0.900 0.900 peak 6988 spectrum 1 weight 0.10000E+01 volume 0.21411E-02 ppm1 7.917 ppm2 9.025 CV 1 ASSI { 7000} (( segid " " and resid 1133 and name HN )) (( segid " " and resid 1132 and name HB2 )) 2.600 0.900 0.900 peak 7000 spectrum 1 weight 0.10000E+01 volume 0.26093E-02 ppm1 7.831 ppm2 2.136 CV 1 ASSI { 7003} (( segid " " and resid 1133 and name HN )) (( segid " " and resid 1133 and name HA )) 2.400 0.700 0.700 peak 7003 spectrum 1 weight 0.10000E+01 volume 0.45888E-02 ppm1 7.831 ppm2 4.109 CV 1 ASSI { 7004} (( segid " " and resid 1133 and name HN )) (( segid " " and resid 1132 and name HN )) 2.700 0.900 0.900 peak 7004 spectrum 1 weight 0.10000E+01 volume 0.23832E-02 ppm1 7.829 ppm2 8.684 CV 1 ASSI { 7006} (( segid " " and resid 1169 and name HN )) ( segid " " and resid 1166 and name HB% ) 3.000 3.000 3.000 peak 7006 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 8.255 ppm2 1.556 CV 1 ASSI { 7010} (( segid " " and resid 1169 and name HN )) (( segid " " and resid 1169 and name HG2 )) 2.800 1.000 1.000 peak 7010 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 8.244 ppm2 2.712 CV 1 ASSI { 7015} (( segid " " and resid 1172 and name HN )) (( segid " " and resid 1171 and name HB1 )) 2.300 0.700 0.700 peak 7015 spectrum 1 weight 0.10000E+01 volume 0.50346E-02 ppm1 8.478 ppm2 2.138 CV 1 ASSI { 7017} (( segid " " and resid 1172 and name HN )) (( segid " " and resid 1172 and name HB2 )) 2.400 0.700 0.700 peak 7017 spectrum 1 weight 0.10000E+01 volume 0.45243E-02 ppm1 8.476 ppm2 2.767 CV 1 ASSI { 7018} (( segid " " and resid 1172 and name HN )) (( segid " " and resid 1172 and name HB1 )) 2.500 0.800 0.800 peak 7018 spectrum 1 weight 0.10000E+01 volume 0.38332E-02 ppm1 8.475 ppm2 2.636 CV 1 ASSI { 7020} (( segid " " and resid 1172 and name HN )) (( segid " " and resid 1169 and name HA )) 2.900 1.000 1.000 peak 7020 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 8.475 ppm2 4.105 CV 1 ASSI { 7021} (( segid " " and resid 1172 and name HN )) (( segid " " and resid 1172 and name HA )) 2.400 0.700 0.700 peak 7021 spectrum 1 weight 0.10000E+01 volume 0.49699E-02 ppm1 8.477 ppm2 4.363 CV 1 ASSI { 7027} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1181 and name HB1 )) 3.200 1.200 1.200 peak 7027 spectrum 1 weight 0.10000E+01 volume 0.86546E-03 ppm1 7.796 ppm2 1.540 CV 1 ASSI { 7028} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1181 and name HG2 )) 2.700 0.900 0.900 peak 7028 spectrum 1 weight 0.10000E+01 volume 0.21152E-02 ppm1 7.803 ppm2 1.743 CV 1 ASSI { 7029} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1181 and name HB2 )) 2.600 0.800 0.800 peak 7029 spectrum 1 weight 0.10000E+01 volume 0.28708E-02 ppm1 7.801 ppm2 1.967 CV 1 ASSI { 7030} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1182 and name HB2 )) 2.200 0.600 0.600 peak 7030 spectrum 1 weight 0.10000E+01 volume 0.77537E-02 ppm1 7.801 ppm2 2.257 CV 1 ASSI { 7034} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1179 and name HA )) 2.900 1.000 1.000 peak 7034 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 7.799 ppm2 3.713 CV 1 ASSI { 7035} (( segid " " and resid 1182 and name HN )) (( segid " " and resid 1182 and name HA )) 2.500 0.800 0.800 peak 7035 spectrum 1 weight 0.10000E+01 volume 0.38429E-02 ppm1 7.800 ppm2 4.173 CV 1 ASSI { 7040} (( segid " " and resid 1149 and name HN )) (( segid " " and resid 1149 and name HA )) 2.900 1.000 1.000 peak 7040 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 8.330 ppm2 3.481 CV 1 ASSI { 7043} (( segid " " and resid 1149 and name HN )) ( segid " " and resid 1166 and name HB% ) 3.000 1.100 1.100 peak 7043 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 8.338 ppm2 1.599 CV 1 ASSI { 7044} (( segid " " and resid 1149 and name HN )) (( segid " " and resid 1149 and name HB )) 2.300 0.700 0.700 peak 7044 spectrum 1 weight 0.10000E+01 volume 0.51605E-02 ppm1 8.335 ppm2 1.888 CV 1 ASSI { 7046} (( segid " " and resid 1174 and name HN )) (( segid " " and resid 1174 and name HG2 )) 2.600 0.800 0.800 peak 7046 spectrum 1 weight 0.10000E+01 volume 0.29839E-02 ppm1 8.390 ppm2 1.631 CV 1 ASSI { 7053} (( segid " " and resid 1170 and name HN )) ( segid " " and resid 1170 and name HD1%) 2.800 2.800 3.200 peak 7053 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 8.417 ppm2 0.895 CV 1 ASSI { 7060} (( segid " " and resid 1170 and name HN )) (( segid " " and resid 1171 and name HN )) 2.900 1.100 1.100 peak 7060 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 8.413 ppm2 7.854 CV 1 ASSI { 7062} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1148 and name HB1 )) 2.700 0.900 0.900 peak 7062 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 8.140 ppm2 1.973 CV 1 ASSI { 7063} (( segid " " and resid 1148 and name HN )) ( segid " " and resid 1166 and name HB% ) 3.300 1.300 1.300 peak 7063 spectrum 1 weight 0.10000E+01 volume 0.68785E-03 ppm1 8.145 ppm2 1.557 CV 1 ASSI { 7064} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1148 and name HG1 )) 2.700 0.900 0.900 peak 7064 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 8.139 ppm2 2.343 CV 1 OR { 7064} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1148 and name HG2 )) ASSI { 7065} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1147 and name HB1 )) 3.000 1.100 1.100 peak 7065 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 8.140 ppm2 2.809 CV 1 ASSI { 7066} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1147 and name HB2 )) 3.000 1.100 1.100 peak 7066 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 8.141 ppm2 2.934 CV 1 ASSI { 7068} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1145 and name HA )) 3.100 1.200 1.200 peak 7068 spectrum 1 weight 0.10000E+01 volume 0.98175E-03 ppm1 8.149 ppm2 4.174 CV 1 ASSI { 7069} (( segid " " and resid 1148 and name HN )) (( segid " " and resid 1147 and name HA )) 3.200 1.300 1.300 peak 7069 spectrum 1 weight 0.10000E+01 volume 0.82671E-03 ppm1 8.135 ppm2 4.414 CV 1 ASSI { 7075} (( segid " " and resid 1164 and name HN )) (( segid " " and resid 1167 and name HN )) 3.300 1.400 1.400 peak 7075 spectrum 1 weight 0.10000E+01 volume 0.61680E-03 ppm1 7.789 ppm2 8.627 CV 1 ASSI { 7076} (( segid " " and resid 1168 and name HN )) (( segid " " and resid 1169 and name HN )) 2.600 0.800 0.800 peak 7076 spectrum 1 weight 0.10000E+01 volume 0.27191E-02 ppm1 8.006 ppm2 8.258 CV 1 ASSI { 7077} (( segid " " and resid 1164 and name HN )) (( segid " " and resid 1164 and name HA )) 2.600 0.800 0.800 peak 7077 spectrum 1 weight 0.10000E+01 volume 0.29452E-02 ppm1 7.806 ppm2 4.092 CV 1 ASSI { 7078} (( segid " " and resid 1168 and name HN )) (( segid " " and resid 1167 and name HN )) 2.700 0.900 0.900 peak 7078 spectrum 1 weight 0.10000E+01 volume 0.19667E-02 ppm1 8.003 ppm2 8.653 CV 1 ASSI { 7086} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1138 and name HG2 )) 2.800 1.000 1.000 peak 7086 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 8.195 ppm2 2.357 CV 1 ASSI { 7087} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1137 and name HA )) 3.300 1.300 1.300 peak 7087 spectrum 1 weight 0.10000E+01 volume 0.69108E-03 ppm1 8.193 ppm2 3.636 CV 1 ASSI { 7088} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1138 and name HA )) 2.700 0.900 0.900 peak 7088 spectrum 1 weight 0.10000E+01 volume 0.20926E-02 ppm1 8.195 ppm2 4.094 CV 1 ASSI { 7090} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1137 and name HN )) 2.700 0.900 0.900 peak 7090 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 8.194 ppm2 7.669 CV 1 ASSI { 7091} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1139 and name HN )) 2.900 1.100 1.100 peak 7091 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 8.193 ppm2 8.744 CV 1 ASSI { 7095} (( segid " " and resid 1187 and name HN )) ( segid " " and resid 1187 and name HB% ) 2.200 0.600 0.600 peak 7095 spectrum 1 weight 0.10000E+01 volume 0.73532E-02 ppm1 8.055 ppm2 1.375 CV 1 ASSI { 7100} (( segid " " and resid 1187 and name HN )) (( segid " " and resid 1186 and name HB2 )) 2.400 0.700 0.700 peak 7100 spectrum 1 weight 0.10000E+01 volume 0.41368E-02 ppm1 8.054 ppm2 1.835 CV 1 ASSI { 7105} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1183 and name HG2 )) 2.600 0.800 0.800 peak 7105 spectrum 1 weight 0.10000E+01 volume 0.29548E-02 ppm1 8.292 ppm2 2.605 CV 1 ASSI { 7108} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1182 and name HA )) 3.000 1.100 1.100 peak 7108 spectrum 1 weight 0.10000E+01 volume 0.11593E-02 ppm1 8.294 ppm2 4.176 CV 1 ASSI { 7110} (( segid " " and resid 1183 and name HN )) (( segid " " and resid 1184 and name HN )) 2.800 1.000 1.000 peak 7110 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 8.295 ppm2 9.020 CV 1 ASSI { 7115} (( segid " " and resid 1129 and name HN )) ( segid " " and resid 1128 and name HG1%) 2.500 0.800 0.800 peak 7115 spectrum 1 weight 0.10000E+01 volume 0.33198E-02 ppm1 8.012 ppm2 0.830 CV 1 ASSI { 7116} (( segid " " and resid 1129 and name HN )) ( segid " " and resid 1129 and name HB% ) 2.200 0.600 0.600 peak 7116 spectrum 1 weight 0.10000E+01 volume 0.80733E-02 ppm1 8.012 ppm2 1.414 CV 1 ASSI { 7117} (( segid " " and resid 1159 and name HN )) (( segid " " and resid 1158 and name HB2 )) 2.900 1.000 1.000 peak 7117 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 8.007 ppm2 1.665 CV 1 OR { 7117} (( segid " " and resid 1159 and name HN )) (( segid " " and resid 1158 and name HB1 )) ASSI { 7118} (( segid " " and resid 1129 and name HN )) (( segid " " and resid 1128 and name HB )) 2.500 0.800 0.800 peak 7118 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 8.013 ppm2 2.008 CV 1 ASSI { 7119} (( segid " " and resid 1159 and name HN )) (( segid " " and resid 1159 and name HB1 )) 3.100 1.200 1.200 peak 7119 spectrum 1 weight 0.10000E+01 volume 0.94943E-03 ppm1 8.016 ppm2 2.570 CV 1 ASSI { 7120} (( segid " " and resid 1159 and name HN )) (( segid " " and resid 1159 and name HB2 )) 3.000 1.100 1.100 peak 7120 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 8.008 ppm2 2.738 CV 1 ASSI { 7121} (( segid " " and resid 1129 and name HN )) (( segid " " and resid 1128 and name HA )) 3.000 1.100 1.100 peak 7121 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 8.012 ppm2 3.459 CV 1 ASSI { 7124} (( segid " " and resid 1163 and name HN )) (( segid " " and resid 1162 and name HB2 )) 3.200 1.300 1.300 peak 7124 spectrum 1 weight 0.10000E+01 volume 0.82026E-03 ppm1 7.723 ppm2 1.112 CV 1 ASSI { 7138} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1179 and name HA )) 2.600 0.900 0.900 peak 7138 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 7.681 ppm2 3.727 CV 1 ASSI { 7147} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1179 and name HB )) 2.500 0.800 0.800 peak 7147 spectrum 1 weight 0.10000E+01 volume 0.36007E-02 ppm1 7.684 ppm2 1.958 CV 1 ASSI { 7148} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1178 and name HB1 )) 3.000 1.100 1.100 peak 7148 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 7.690 ppm2 2.633 CV 1 ASSI { 7149} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1178 and name HB2 )) 2.900 1.100 1.100 peak 7149 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 7.680 ppm2 2.826 CV 1 ASSI { 7152} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1178 and name HA )) 3.100 1.200 1.200 peak 7152 spectrum 1 weight 0.10000E+01 volume 0.99786E-03 ppm1 7.684 ppm2 4.355 CV 1 ASSI { 7153} (( segid " " and resid 1179 and name HN )) (( segid " " and resid 1180 and name HN )) 2.900 1.100 1.100 peak 7153 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.682 ppm2 8.576 CV 1 ASSI { 7155} (( segid " " and resid 1180 and name HN )) ( segid " " and resid 1180 and name HD1%) 2.700 0.900 0.900 peak 7155 spectrum 1 weight 0.10000E+01 volume 0.23671E-02 ppm1 8.561 ppm2 0.707 CV 1 ASSI { 7163} (( segid " " and resid 1163 and name HN )) ( segid " " and resid 1152 and name HD% ) 3.300 1.400 1.400 peak 7163 spectrum 1 weight 0.10000E+01 volume 0.62972E-03 ppm1 7.719 ppm2 6.991 CV 1 ASSI { 7168} (( segid " " and resid 1138 and name HN )) (( segid " " and resid 1138 and name HG1 )) 3.000 1.100 1.100 peak 7168 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 8.191 ppm2 2.164 CV 1 ASSI { 7170} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1142 and name HG1 )) 3.000 1.100 1.100 peak 7170 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 8.480 ppm2 1.271 CV 1 OR { 7170} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1142 and name HG2 )) ASSI { 7172} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1142 and name HB1 )) 2.600 0.900 0.900 peak 7172 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 8.475 ppm2 1.915 CV 1 ASSI { 7173} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1141 and name HB )) 2.900 1.000 1.000 peak 7173 spectrum 1 weight 0.10000E+01 volume 0.15501E-02 ppm1 8.477 ppm2 2.368 CV 1 ASSI { 7174} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1141 and name HA )) 3.400 1.400 1.400 peak 7174 spectrum 1 weight 0.10000E+01 volume 0.56837E-03 ppm1 8.486 ppm2 3.602 CV 1 ASSI { 7176} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1142 and name HA )) 2.800 1.000 1.000 peak 7176 spectrum 1 weight 0.10000E+01 volume 0.17083E-02 ppm1 8.481 ppm2 3.780 CV 1 ASSI { 7179} (( segid " " and resid 1142 and name HN )) (( segid " " and resid 1141 and name HN )) 3.000 1.100 1.100 peak 7179 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 8.475 ppm2 7.976 CV 1 ASSI { 7182} (( segid " " and resid 1166 and name HN )) ( segid " " and resid 1165 and name HG2%) 2.900 1.000 1.000 peak 7182 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 8.177 ppm2 1.224 CV 1 ASSI { 7183} (( segid " " and resid 1166 and name HN )) ( segid " " and resid 1166 and name HB% ) 2.400 0.700 0.700 peak 7183 spectrum 1 weight 0.10000E+01 volume 0.48698E-02 ppm1 8.175 ppm2 1.608 CV 1 ASSI { 7192} (( segid " " and resid 1145 and name HN )) ( segid " " and resid 1145 and name HB% ) 2.800 1.000 1.000 peak 7192 spectrum 1 weight 0.10000E+01 volume 0.16793E-02 ppm1 8.527 ppm2 1.517 CV 1 ASSI { 7193} (( segid " " and resid 1145 and name HN )) (( segid " " and resid 1144 and name HA2 )) 2.900 1.100 1.100 peak 7193 spectrum 1 weight 0.10000E+01 volume 0.13660E-02 ppm1 8.528 ppm2 3.877 CV 1 ASSI { 7195} (( segid " " and resid 1145 and name HN )) (( segid " " and resid 1145 and name HA )) 3.000 1.200 1.200 peak 7195 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 8.542 ppm2 4.164 CV 1 ASSI { 7197} (( segid " " and resid 1130 and name HN )) ( segid " " and resid 1129 and name HB% ) 3.000 1.100 1.100 peak 7197 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 8.228 ppm2 1.401 CV 1 ASSI { 7198} (( segid " " and resid 1130 and name HN )) (( segid " " and resid 1128 and name HB )) 3.200 3.200 2.800 peak 7198 spectrum 1 weight 0.10000E+01 volume 0.79764E-03 ppm1 8.230 ppm2 1.988 CV 1 ASSI { 7199} (( segid " " and resid 1130 and name HN )) (( segid " " and resid 1130 and name HA2 )) 2.800 1.000 1.000 peak 7199 spectrum 1 weight 0.10000E+01 volume 0.17180E-02 ppm1 8.227 ppm2 3.917 CV 1 ASSI { 7200} (( segid " " and resid 1130 and name HN )) (( segid " " and resid 1130 and name HA1 )) 2.800 1.000 1.000 peak 7200 spectrum 1 weight 0.10000E+01 volume 0.16986E-02 ppm1 8.226 ppm2 3.854 CV 1 ASSI { 7204} (( segid " " and resid 1144 and name HN )) ( segid " " and resid 67 and name HD2%) 3.300 1.300 1.300 peak 7204 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 8.280 ppm2 0.901 CV 1 ASSI { 7205} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1143 and name HB1 )) 2.900 1.000 1.000 peak 7205 spectrum 1 weight 0.10000E+01 volume 0.15372E-02 ppm1 8.273 ppm2 2.133 CV 1 ASSI { 7207} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1141 and name HA )) 3.400 1.500 1.500 peak 7207 spectrum 1 weight 0.10000E+01 volume 0.51670E-03 ppm1 8.283 ppm2 3.587 CV 1 ASSI { 7208} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1144 and name HA2 )) 2.400 0.700 0.700 peak 7208 spectrum 1 weight 0.10000E+01 volume 0.41012E-02 ppm1 8.266 ppm2 3.875 CV 1 OR { 7208} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1144 and name HA1 )) ASSI { 7209} (( segid " " and resid 1144 and name HN )) (( segid " " and resid 1143 and name HA )) 3.100 1.200 1.200 peak 7209 spectrum 1 weight 0.10000E+01 volume 0.93649E-03 ppm1 8.257 ppm2 4.130 CV 1 ASSI { 7213} (( segid " " and resid 1141 and name HN )) (( segid " " and resid 1141 and name HB )) 3.200 1.300 1.300 peak 7213 spectrum 1 weight 0.10000E+01 volume 0.79764E-03 ppm1 7.992 ppm2 2.351 CV 1 ASSI { 7214} (( segid " " and resid 1141 and name HN )) (( segid " " and resid 1141 and name HA )) 3.200 1.300 1.300 peak 7214 spectrum 1 weight 0.10000E+01 volume 0.72014E-03 ppm1 7.997 ppm2 3.595 CV 1 ASSI { 7226} (( segid " " and resid 1164 and name HN )) (( segid " " and resid 1163 and name HB1 )) 2.900 1.000 1.000 peak 7226 spectrum 1 weight 0.10000E+01 volume 0.15275E-02 ppm1 7.803 ppm2 1.346 CV 1 ASSI { 7227} (( segid " " and resid 1185 and name HN )) (( segid " " and resid 1183 and name HN )) 3.400 1.500 1.500 peak 7227 spectrum 1 weight 0.10000E+01 volume 0.51024E-03 ppm1 7.910 ppm2 8.316 CV 1 ASSI { 7229} (( segid " " and resid 1137 and name HN )) (( segid " " and resid 1137 and name HG11)) 2.700 0.900 0.900 peak 7229 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 7.660 ppm2 1.059 CV 1 ASSI { 7232} (( segid " " and resid 1137 and name HN )) (( segid " " and resid 1137 and name HA )) 2.600 0.900 0.900 peak 7232 spectrum 1 weight 0.10000E+01 volume 0.25770E-02 ppm1 7.660 ppm2 3.641 CV 1 ASSI { 9719} (( segid " " and resid 1195 and name HD22)) (( segid " " and resid 1195 and name HD21)) 1.900 0.400 0.400 peak 9719 spectrum 1 weight 0.10000E+01 volume 0.20765E-01 ppm1 7.542 ppm2 6.854 CV 1 ASSI { 9720} (( segid " " and resid 1195 and name HD22)) (( segid " " and resid 1195 and name HB1 )) 2.900 1.000 1.000 peak 9720 spectrum 1 weight 0.10000E+01 volume 0.15048E-02 ppm1 7.542 ppm2 2.718 CV 1 ASSI { 9721} (( segid " " and resid 1195 and name HD21)) (( segid " " and resid 1195 and name HB1 )) 3.200 1.300 1.300 peak 9721 spectrum 1 weight 0.10000E+01 volume 0.82671E-03 ppm1 6.852 ppm2 2.716 CV 1 ASSI { 9723} (( segid " " and resid 1196 and name HE21)) (( segid " " and resid 1196 and name HE22)) 1.600 0.300 0.600 peak 9723 spectrum 1 weight 0.10000E+01 volume 0.54737E-01 ppm1 6.768 ppm2 7.484 CV 1 ASSI { 9726} (( segid " " and resid 1183 and name HE22)) (( segid " " and resid 1183 and name HB1 )) 3.100 1.200 1.200 peak 9726 spectrum 1 weight 0.10000E+01 volume 0.97523E-03 ppm1 6.976 ppm2 1.970 CV 1 ASSI { 9912} (( segid " " and resid 1122 and name HN )) (( segid " " and resid 1121 and name HA )) 3.300 1.300 1.300 peak 9912 spectrum 1 weight 0.10000E+01 volume 0.70723E-03 ppm1 8.411 ppm2 4.358 CV 1 ASSI { 9919} (( segid " " and resid 1134 and name HN )) (( segid " " and resid 1133 and name HB1 )) 2.400 0.700 0.700 peak 9919 spectrum 1 weight 0.10000E+01 volume 0.48343E-02 ppm1 7.857 ppm2 1.960 CV 1 ASSI { 9945} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1167 and name HE21)) 1.900 0.400 0.400 peak 9945 spectrum 1 weight 0.10000E+01 volume 0.18827E-01 ppm1 7.108 ppm2 6.607 CV 1 ASSI { 9946} (( segid " " and resid 1136 and name HN )) (( segid " " and resid 1135 and name HN )) 2.700 0.900 0.900 peak 9946 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 7.654 ppm2 8.676 CV 1 ASSI { 9947} (( segid " " and resid 1150 and name HN )) (( segid " " and resid 1149 and name HN )) 2.900 1.000 1.000 peak 9947 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 7.680 ppm2 8.335 CV 1 ASSI { 9950} (( segid " " and resid 1178 and name HN )) (( segid " " and resid 1178 and name HB2 )) 2.500 0.800 0.800 peak 9950 spectrum 1 weight 0.10000E+01 volume 0.33489E-02 ppm1 7.712 ppm2 2.834 CV 1 ASSI { 9951} (( segid " " and resid 1150 and name HN )) (( segid " " and resid 1149 and name HA )) 3.100 1.200 1.200 peak 9951 spectrum 1 weight 0.10000E+01 volume 0.86869E-03 ppm1 7.685 ppm2 3.446 CV 1 ASSI { 9952} (( segid " " and resid 1178 and name HN )) (( segid " " and resid 1178 and name HB1 )) 2.600 0.900 0.900 peak 9952 spectrum 1 weight 0.10000E+01 volume 0.25641E-02 ppm1 7.712 ppm2 2.645 CV 1 ASSI { 9957} (( segid " " and resid 1136 and name HN )) ( segid " " and resid 1136 and name HB% ) 2.200 0.600 0.600 peak 9957 spectrum 1 weight 0.10000E+01 volume 0.83866E-02 ppm1 7.654 ppm2 1.505 CV 1 ASSI {10655} (( segid " " and resid 1198 and name HN )) (( segid " " and resid 1197 and name HA )) 2.700 0.900 0.900 peak 10655 spectrum 1 weight 0.10000E+01 volume 0.20216E-02 ppm1 8.122 ppm2 4.235 CV 1 ASSI {10786} (( segid " " and resid 1147 and name HD22)) (( segid " " and resid 1147 and name HB2 )) 2.900 1.000 1.000 peak 10786 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 7.568 ppm2 2.967 CV 1 ASSI {10787} (( segid " " and resid 1147 and name HD21)) (( segid " " and resid 1147 and name HB2 )) 2.800 1.000 1.000 peak 10787 spectrum 1 weight 0.10000E+01 volume 0.16050E-02 ppm1 6.877 ppm2 2.968 CV 1 ASSI {10993} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1167 and name HA )) 3.000 1.100 1.100 peak 10993 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 7.104 ppm2 3.938 CV 1 ASSI {10996} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1167 and name HG2 )) 2.800 1.000 1.000 peak 10996 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 7.107 ppm2 2.583 CV 1 ASSI {10997} (( segid " " and resid 1167 and name HE22)) (( segid " " and resid 1167 and name HB1 )) 3.000 3.000 3.000 peak 10997 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 7.110 ppm2 1.950 CV 1 ASSI {11000} (( segid " " and resid 1183 and name HE21)) (( segid " " and resid 1183 and name HE22)) 1.900 0.500 0.500 peak 11000 spectrum 1 weight 0.10000E+01 volume 0.16967E-01 ppm1 6.609 ppm2 7.008 CV 1 ASSI {11001} (( segid " " and resid 1167 and name HE21)) (( segid " " and resid 1167 and name HA )) 3.000 1.100 1.100 peak 11001 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 6.606 ppm2 3.940 CV 1 ASSI {11013} (( segid " " and resid 1154 and name HD22)) (( segid " " and resid 1154 and name HB2 )) 2.600 0.800 0.800 peak 11013 spectrum 1 weight 0.10000E+01 volume 0.29097E-02 ppm1 7.624 ppm2 2.761 CV 1 OR {11013} (( segid " " and resid 1154 and name HD22)) (( segid " " and resid 1154 and name HB1 )) ASSI {11014} (( segid " " and resid 1154 and name HD21)) (( segid " " and resid 1154 and name HB2 )) 2.600 0.900 0.900 peak 11014 spectrum 1 weight 0.10000E+01 volume 0.26125E-02 ppm1 7.031 ppm2 2.762 CV 1 OR {11014} (( segid " " and resid 1154 and name HD21)) (( segid " " and resid 1154 and name HB1 )) ASSI {11015} (( segid " " and resid 1150 and name HE21)) (( segid " " and resid 1150 and name HE22)) 1.700 0.300 0.500 peak 11015 spectrum 1 weight 0.10000E+01 volume 0.40587E-01 ppm1 6.742 ppm2 7.622 CV 1 ASSI {11020} (( segid " " and resid 1150 and name HE22)) (( segid " " and resid 1150 and name HB2 )) 3.000 1.100 1.100 peak 11020 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 7.613 ppm2 2.167 CV 1 OR {11020} (( segid " " and resid 1150 and name HE22)) (( segid " " and resid 1150 and name HB1 )) ASSI {11024} (( segid " " and resid 1150 and name HE21)) (( segid " " and resid 1150 and name HB2 )) 3.100 1.200 1.200 peak 11024 spectrum 1 weight 0.10000E+01 volume 0.88484E-03 ppm1 6.743 ppm2 2.173 CV 1 OR {11024} (( segid " " and resid 1150 and name HE21)) (( segid " " and resid 1150 and name HB1 )) ASSI {11027} (( segid " " and resid 1196 and name HE22)) (( segid " " and resid 1196 and name HA )) 3.400 1.500 1.500 peak 11027 spectrum 1 weight 0.10000E+01 volume 0.53284E-03 ppm1 7.480 ppm2 4.250 CV 1 ASSI {11037} (( segid " " and resid 1168 and name HE22)) (( segid " " and resid 1168 and name HE21)) 1.700 0.400 0.500 peak 11037 spectrum 1 weight 0.10000E+01 volume 0.31076E-01 ppm1 7.422 ppm2 6.780 CV 1 ASSI {11044} (( segid " " and resid 1147 and name HD21)) (( segid " " and resid 1147 and name HD22)) 2.000 0.500 0.500 peak 11044 spectrum 1 weight 0.10000E+01 volume 0.11664E-01 ppm1 6.877 ppm2 7.579 CV 1 ASSI {11046} (( segid " " and resid 1147 and name HD22)) (( segid " " and resid 1147 and name HB1 )) 2.900 2.900 3.100 peak 11046 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 7.568 ppm2 2.865 CV 1 ASSI {11047} (( segid " " and resid 1147 and name HD21)) (( segid " " and resid 1147 and name HB1 )) 2.800 1.000 1.000 peak 11047 spectrum 1 weight 0.10000E+01 volume 0.16050E-02 ppm1 6.877 ppm2 2.864 CV 1 ASSI {11050} (( segid " " and resid 1189 and name HE22)) (( segid " " and resid 1189 and name HE21)) 1.700 0.400 0.500 peak 11050 spectrum 1 weight 0.10000E+01 volume 0.35061E-01 ppm1 7.460 ppm2 6.748 CV 1 ASSI {11051} (( segid " " and resid 1134 and name HE22)) (( segid " " and resid 1134 and name HE21)) 1.700 0.400 0.500 peak 11051 spectrum 1 weight 0.10000E+01 volume 0.30850E-01 ppm1 7.501 ppm2 6.730 CV 1 ASSI {11053} (( segid " " and resid 1189 and name HE22)) (( segid " " and resid 1189 and name HG1 )) 2.700 0.900 0.900 peak 11053 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 7.460 ppm2 2.338 CV 1 ASSI {11057} (( segid " " and resid 1189 and name HE22)) (( segid " " and resid 1189 and name HB2 )) 3.200 1.300 1.300 peak 11057 spectrum 1 weight 0.10000E+01 volume 0.74275E-03 ppm1 7.456 ppm2 2.077 CV 1 OR {11057} (( segid " " and resid 1189 and name HE22)) (( segid " " and resid 1189 and name HB1 )) ASSI {11061} (( segid " " and resid 1134 and name HE21)) (( segid " " and resid 1134 and name HA )) 3.300 1.300 1.300 peak 11061 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 6.719 ppm2 3.934 CV 1 ASSI { 1087} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.900 2.900 3.100 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 7.520 ppm2 1.878 CV 1 OR { 1087} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HB2 )) ASSI { 1092} (( segid " " and resid 152 and name HN )) (( segid " " and resid 110 and name HG11)) 3.000 1.100 1.100 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 9.039 ppm2 1.382 CV 1 ASSI { 1093} (( segid " " and resid 178 and name HN )) ( segid " " and resid 176 and name HG1%) 2.600 2.600 3.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.27837E-02 ppm1 8.182 ppm2 0.859 CV 1 OR { 1093} (( segid " " and resid 178 and name HN )) ( segid " " and resid 176 and name HG2%) ASSI { 1095} (( segid " " and resid 191 and name HN )) ( segid " " and resid 191 and name HD2%) 2.200 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.74662E-02 ppm1 8.142 ppm2 0.807 CV 1 ASSI { 1720} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.93332E-03 ppm1 8.825 ppm2 5.301 CV 1 ASSI { 3786} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HD2%) 2.900 1.000 1.000 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 8.512 ppm2 0.260 CV 1 ASSI { 4011} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.600 0.800 0.800 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.29322E-02 ppm1 7.156 ppm2 2.660 CV 1 ASSI { 4033} (( segid " " and resid 177 and name HN )) (( segid " " and resid 174 and name HA )) 2.900 1.100 1.100 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.13886E-02 ppm1 8.105 ppm2 3.690 CV 1 ASSI { 4034} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 2.900 1.000 1.000 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.14726E-02 ppm1 7.827 ppm2 4.269 CV 1 ASSI { 4043} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.100 1.200 1.200 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 7.505 ppm2 3.057 CV 1 ASSI { 4051} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.43758E-02 ppm1 9.199 ppm2 4.094 CV 1 ASSI { 4069} (( segid " " and resid 153 and name HN )) ( segid " " and resid 111 and name HD1%) 2.500 0.800 0.800 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.37137E-02 ppm1 7.060 ppm2 0.465 CV 1 ASSI { 4070} (( segid " " and resid 152 and name HN )) ( segid " " and resid 151 and name HB% ) 2.700 0.900 0.900 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 9.039 ppm2 1.210 CV 1 ASSI { 4075} (( segid " " and resid 152 and name HN )) ( segid " " and resid 111 and name HD1%) 3.000 1.100 1.100 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.12239E-02 ppm1 9.036 ppm2 0.460 CV 1 ASSI { 4084} (( segid " " and resid 168 and name HN )) ( segid " " and resid 168 and name HG2%) 2.500 0.800 0.800 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.38978E-02 ppm1 7.048 ppm2 0.682 CV 1 ASSI { 4086} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB )) 2.600 0.800 0.800 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.30711E-02 ppm1 7.049 ppm2 1.680 CV 1 ASSI { 4090} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) 2.800 1.000 1.000 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.16760E-02 ppm1 7.047 ppm2 3.033 CV 1 ASSI { 4091} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB )) 2.600 0.900 0.900 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.26771E-02 ppm1 7.047 ppm2 3.801 CV 1 ASSI { 4101} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 9.195 ppm2 5.137 CV 1 ASSI { 4117} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HG1%) 2.400 0.700 0.700 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.39624E-02 ppm1 8.931 ppm2 0.764 CV 1 OR { 4117} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 4133} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HD2 )) 2.400 0.700 0.700 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.40658E-02 ppm1 8.184 ppm2 3.457 CV 1 OR { 4133} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HD1 )) ASSI { 4134} (( segid " " and resid 178 and name HN )) (( segid " " and resid 174 and name HA )) 2.600 0.800 0.800 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.28935E-02 ppm1 8.183 ppm2 3.706 CV 1 ASSI { 4136} (( segid " " and resid 178 and name HN )) ( segid " " and resid 177 and name HD2%) 2.300 2.300 3.700 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.54221E-02 ppm1 8.181 ppm2 0.680 CV 1 OR { 4136} (( segid " " and resid 178 and name HN )) ( segid " " and resid 177 and name HD1%) ASSI { 4137} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HG2 )) 2.700 2.700 3.300 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.20732E-02 ppm1 8.184 ppm2 1.899 CV 1 OR { 4137} (( segid " " and resid 178 and name HN )) (( segid " " and resid 179 and name HG1 )) ASSI { 4138} (( segid " " and resid 178 and name HN )) (( segid " " and resid 177 and name HG )) 2.400 0.700 0.700 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.42853E-02 ppm1 8.181 ppm2 1.621 CV 1 ASSI { 4147} (( segid " " and resid 177 and name HN )) ( segid " " and resid 177 and name HD1%) 2.500 0.800 0.800 peak 4147 spectrum 1 weight 0.10000E+01 volume 0.36266E-02 ppm1 8.110 ppm2 0.697 CV 1 ASSI { 4152} (( segid " " and resid 120 and name HN )) ( segid " " and resid 85 and name HG2%) 2.700 2.700 3.300 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 7.150 ppm2 0.593 CV 1 ASSI { 4159} (( segid " " and resid 177 and name HN )) ( segid " " and resid 175 and name HB% ) 2.900 2.900 3.100 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 8.114 ppm2 1.362 CV 1 ASSI { 4160} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB2 )) 2.500 0.800 0.800 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.31744E-02 ppm1 7.781 ppm2 1.694 CV 1 OR { 4160} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB1 )) ASSI { 4162} (( segid " " and resid 175 and name HN )) ( segid " " and resid 111 and name HD1%) 2.900 1.100 1.100 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 7.782 ppm2 0.480 CV 1 ASSI { 4164} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HG2%) 2.700 0.900 0.900 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 8.291 ppm2 0.483 CV 1 ASSI { 4167} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HG1 )) 2.800 1.000 1.000 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 8.423 ppm2 1.446 CV 1 OR { 4167} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HG2 )) ASSI { 4169} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HA )) 2.800 2.800 3.200 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.16502E-02 ppm1 8.428 ppm2 3.973 CV 1 ASSI { 4175} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HG11)) 2.400 0.700 0.700 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 7.584 ppm2 0.767 CV 1 ASSI { 4184} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB )) 2.200 0.600 0.600 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.65653E-02 ppm1 7.704 ppm2 3.803 CV 1 OR { 4184} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 4185} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HB1 )) 2.400 0.700 0.700 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.39560E-02 ppm1 7.702 ppm2 1.947 CV 1 ASSI { 4186} (( segid " " and resid 124 and name HN )) ( segid " " and resid 126 and name HD1%) 2.800 2.800 3.200 peak 4186 spectrum 1 weight 0.10000E+01 volume 0.18504E-02 ppm1 8.432 ppm2 0.743 CV 1 ASSI { 4191} (( segid " " and resid 167 and name HN )) ( segid " " and resid 167 and name HG2%) 2.600 2.600 3.400 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.30485E-02 ppm1 7.703 ppm2 1.208 CV 1 ASSI { 4201} (( segid " " and resid 89 and name HN )) ( segid " " and resid 88 and name HB% ) 2.700 0.900 0.900 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.22573E-02 ppm1 8.000 ppm2 1.374 CV 1 ASSI { 4202} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD2%) 2.600 2.600 3.400 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.28289E-02 ppm1 7.926 ppm2 0.752 CV 1 ASSI { 4254} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HE1 )) 3.100 3.100 2.900 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 8.434 ppm2 2.953 CV 1 OR { 4254} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HE2 )) ASSI { 4293} (( segid " " and resid 124 and name HN )) (( segid " " and resid 127 and name HG1 )) 3.100 1.200 1.200 peak 4293 spectrum 1 weight 0.10000E+01 volume 0.99786E-03 ppm1 8.434 ppm2 2.283 CV 1 ASSI { 4295} (( segid " " and resid 124 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.800 2.800 3.200 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.16405E-02 ppm1 8.435 ppm2 2.072 CV 1 ASSI { 4299} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 3.000 1.100 1.100 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 7.977 ppm2 4.298 CV 1 ASSI { 4348} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG2 )) 2.600 2.600 3.400 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 8.197 ppm2 2.263 CV 1 ASSI { 4352} (( segid " " and resid 2 and name HN )) ( segid " " and resid 51 and name HG2%) 2.700 0.900 0.900 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.24316E-02 ppm1 8.201 ppm2 0.770 CV 1 OR { 4352} (( segid " " and resid 2 and name HN )) ( segid " " and resid 51 and name HG1%) ASSI { 4353} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB1 )) 2.200 0.600 0.600 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.71207E-02 ppm1 8.199 ppm2 1.878 CV 1 ASSI { 4375} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 2.700 0.900 0.900 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.23704E-02 ppm1 8.843 ppm2 0.711 CV 1 ASSI { 4379} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 2.900 1.000 1.000 peak 4379 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.654 ppm2 1.009 CV 1 ASSI { 4381} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 2.300 0.700 0.700 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.56255E-02 ppm1 8.498 ppm2 4.461 CV 1 ASSI { 4383} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD% ) 2.800 1.000 1.000 peak 4383 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 8.318 ppm2 6.797 CV 1 ASSI { 4385} (( segid " " and resid 125 and name HN )) (( segid " " and resid 128 and name HG2 )) 2.900 2.900 3.100 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.990 ppm2 1.518 CV 1 ASSI { 4423} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.600 0.800 0.800 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.28741E-02 ppm1 8.495 ppm2 2.490 CV 1 ASSI { 4425} (( segid " " and resid 28 and name HN )) (( segid " " and resid 22 and name HA )) 2.800 1.000 1.000 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.16793E-02 ppm1 8.316 ppm2 4.167 CV 1 ASSI { 4426} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.700 0.900 0.900 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 8.496 ppm2 2.245 CV 1 ASSI { 4427} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 8.493 ppm2 5.476 CV 1 ASSI { 4429} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name HB% ) 2.400 0.700 0.700 peak 4429 spectrum 1 weight 0.10000E+01 volume 0.44726E-02 ppm1 8.507 ppm2 1.138 CV 1 ASSI { 4432} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 2.100 0.600 0.600 peak 4432 spectrum 1 weight 0.10000E+01 volume 0.85997E-02 ppm1 8.376 ppm2 4.390 CV 1 ASSI { 4433} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 2.500 2.500 3.500 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.34812E-02 ppm1 8.381 ppm2 2.244 CV 1 OR { 4433} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG1 )) ASSI { 4434} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.89872E-02 ppm1 8.380 ppm2 1.791 CV 1 ASSI { 4441} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG2%) 2.600 0.900 0.900 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.26804E-02 ppm1 8.168 ppm2 0.976 CV 1 ASSI { 4460} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA2 )) 2.900 1.100 1.100 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 8.773 ppm2 3.675 CV 1 ASSI { 4461} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA1 )) 3.000 1.100 1.100 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 9.455 ppm2 3.673 CV 1 OR { 4461} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA2 )) ASSI { 4463} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.000 1.100 1.100 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 8.777 ppm2 1.337 CV 1 ASSI { 4468} (( segid " " and resid 77 and name HN )) ( segid " " and resid 75 and name HG2%) 2.700 0.900 0.900 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.20635E-02 ppm1 7.372 ppm2 -0.063 CV 1 ASSI { 4469} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 2.600 0.800 0.800 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.27514E-02 ppm1 7.455 ppm2 0.815 CV 1 ASSI { 4473} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 4473 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 7.334 ppm2 2.124 CV 1 OR { 4473} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 4474} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HG2%) 2.800 1.000 1.000 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 7.333 ppm2 -0.061 CV 1 ASSI { 4475} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 2.700 0.900 0.900 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.20021E-02 ppm1 8.840 ppm2 0.955 CV 1 ASSI { 4478} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.200 0.600 0.600 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.67267E-02 ppm1 8.361 ppm2 2.069 CV 1 ASSI { 4479} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HG1 )) 2.400 0.700 0.700 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.49151E-02 ppm1 8.363 ppm2 2.307 CV 1 ASSI { 4480} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 3.100 1.200 1.200 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 8.362 ppm2 3.428 CV 1 ASSI { 4484} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HA )) 3.000 3.000 3.000 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.12465E-02 ppm1 7.882 ppm2 4.162 CV 1 ASSI { 4490} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.000 1.100 1.100 peak 4490 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 6.349 ppm2 2.285 CV 1 ASSI { 4491} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) 2.700 0.900 0.900 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.23284E-02 ppm1 6.340 ppm2 1.653 CV 1 ASSI { 4502} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.500 0.800 0.800 peak 4502 spectrum 1 weight 0.10000E+01 volume 0.31163E-02 ppm1 7.511 ppm2 2.080 CV 1 ASSI { 4506} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HG1 )) 2.800 1.000 1.000 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 7.514 ppm2 0.758 CV 1 ASSI { 4508} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HG2%) 2.800 1.000 1.000 peak 4508 spectrum 1 weight 0.10000E+01 volume 0.17148E-02 ppm1 10.494 ppm2 0.688 CV 1 ASSI { 4536} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HB% ) 2.500 0.800 0.800 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 8.387 ppm2 1.364 CV 1 ASSI { 4537} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 4537 spectrum 1 weight 0.10000E+01 volume 0.81573E-02 ppm1 8.600 ppm2 4.302 CV 1 ASSI { 4540} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 2.900 1.100 1.100 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 7.500 ppm2 0.975 CV 1 ASSI { 4542} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 3.000 1.100 1.100 peak 4542 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 7.500 ppm2 5.537 CV 1 ASSI { 4543} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.500 0.800 0.800 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 7.828 ppm2 3.854 CV 1 ASSI { 4553} (( segid " " and resid 42 and name HN )) (( segid " " and resid 53 and name HA )) 2.900 2.900 3.100 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 8.802 ppm2 4.652 CV 1 ASSI { 4554} (( segid " " and resid 25 and name HN )) ( segid " " and resid 21 and name HG2%) 3.000 1.100 1.100 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 8.103 ppm2 0.693 CV 1 ASSI { 4559} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HG1 )) 2.200 0.600 0.600 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.74953E-02 ppm1 7.597 ppm2 4.194 CV 1 ASSI { 4560} (( segid " " and resid 27 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.900 2.900 3.100 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 7.600 ppm2 3.919 CV 1 OR { 4560} (( segid " " and resid 27 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 4567} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HA )) 2.900 2.900 3.100 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 9.308 ppm2 4.856 CV 1 ASSI { 4573} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HG2%) 2.200 0.600 0.600 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.76794E-02 ppm1 8.381 ppm2 0.778 CV 1 ASSI { 4579} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 2.900 2.900 3.100 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.15565E-02 ppm1 8.423 ppm2 5.012 CV 1 ASSI { 4582} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.100 1.200 1.200 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 7.941 ppm2 2.796 CV 1 ASSI { 4590} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD1%) 3.000 1.100 1.100 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 7.876 ppm2 0.825 CV 1 ASSI { 4593} (( segid " " and resid 77 and name HN )) ( segid " " and resid 108 and name HG2%) 3.100 1.200 1.200 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.93649E-03 ppm1 7.382 ppm2 1.292 CV 1 ASSI { 4604} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG2 )) 2.800 1.000 1.000 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.17955E-02 ppm1 7.874 ppm2 2.260 CV 1 OR { 4604} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG1 )) ASSI { 4609} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HA )) 2.800 2.800 3.200 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 7.971 ppm2 4.833 CV 1 ASSI { 4610} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 7.973 ppm2 1.176 CV 1 ASSI { 4613} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HD2 )) 2.700 0.900 0.900 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 7.970 ppm2 0.827 CV 1 ASSI { 4614} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG2 )) 2.800 1.000 1.000 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.15953E-02 ppm1 7.973 ppm2 0.516 CV 1 ASSI { 4615} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.000 1.100 1.100 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 7.830 ppm2 4.217 CV 1 ASSI { 4616} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HD% ) 3.000 1.100 1.100 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 9.036 ppm2 6.851 CV 1 ASSI { 4623} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) 2.900 1.000 1.000 peak 4623 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 7.683 ppm2 1.393 CV 1 OR { 4623} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 4631} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.800 2.800 3.200 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 7.298 ppm2 2.987 CV 1 ASSI { 4633} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) 2.900 1.100 1.100 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.14177E-02 ppm1 7.299 ppm2 4.451 CV 1 ASSI { 4637} (( segid " " and resid 128 and name HN )) ( segid " " and resid 126 and name HG2%) 2.800 2.800 3.200 peak 4637 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 8.006 ppm2 0.818 CV 1 ASSI { 4638} (( segid " " and resid 128 and name HN )) ( segid " " and resid 129 and name HD1%) 3.100 3.100 2.900 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.87192E-03 ppm1 7.994 ppm2 0.598 CV 1 ASSI { 4640} (( segid " " and resid 128 and name HN )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 4640 spectrum 1 weight 0.10000E+01 volume 0.19247E-02 ppm1 8.004 ppm2 3.761 CV 1 ASSI { 4642} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 2.200 0.600 0.600 peak 4642 spectrum 1 weight 0.10000E+01 volume 0.65297E-02 ppm1 8.004 ppm2 1.882 CV 1 ASSI { 4643} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG2 )) 2.300 0.700 0.700 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.52057E-02 ppm1 8.002 ppm2 1.551 CV 1 ASSI { 4645} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.400 0.700 0.700 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.46018E-02 ppm1 8.145 ppm2 1.803 CV 1 ASSI { 4646} (( segid " " and resid 128 and name HN )) ( segid " " and resid 125 and name HG2%) 3.000 1.100 1.100 peak 4646 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 8.014 ppm2 1.146 CV 1 ASSI { 4648} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) 2.300 0.700 0.700 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.53704E-02 ppm1 8.143 ppm2 1.886 CV 1 ASSI { 4653} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG2 )) 2.300 0.700 0.700 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.54091E-02 ppm1 8.323 ppm2 1.617 CV 1 ASSI { 4663} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HA )) 2.800 2.800 3.200 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.19150E-02 ppm1 7.238 ppm2 3.866 CV 1 ASSI { 4679} (( segid " " and resid 134 and name HN )) (( segid " " and resid 130 and name HA )) 2.600 0.800 0.800 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.28644E-02 ppm1 7.899 ppm2 4.077 CV 1 ASSI { 4681} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HD1%) 2.300 0.700 0.700 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.51475E-02 ppm1 7.906 ppm2 0.828 CV 1 ASSI { 4682} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HB1 )) 2.600 0.900 0.900 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.25867E-02 ppm1 7.906 ppm2 2.062 CV 1 OR { 4682} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HB2 )) ASSI { 4684} (( segid " " and resid 134 and name HN )) (( segid " " and resid 129 and name HB1 )) 2.800 1.000 1.000 peak 4684 spectrum 1 weight 0.10000E+01 volume 0.16405E-02 ppm1 7.904 ppm2 1.101 CV 1 ASSI { 4686} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HD1 )) 3.000 3.000 3.000 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.11303E-02 ppm1 7.767 ppm2 3.695 CV 1 OR { 4686} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HD2 )) ASSI { 4688} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HD2%) 2.200 2.200 3.800 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.76439E-02 ppm1 7.767 ppm2 0.833 CV 1 ASSI { 4689} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.900 1.000 1.000 peak 4689 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 8.674 ppm2 4.271 CV 1 ASSI { 4693} (( segid " " and resid 137 and name HN )) ( segid " " and resid 85 and name HG2%) 2.900 2.900 3.100 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 8.676 ppm2 0.592 CV 1 ASSI { 4695} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HG12)) 3.000 1.100 1.100 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 8.679 ppm2 1.129 CV 1 ASSI { 4697} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HG2%) 2.500 0.800 0.800 peak 4697 spectrum 1 weight 0.10000E+01 volume 0.37590E-02 ppm1 7.815 ppm2 1.142 CV 1 ASSI { 4698} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 2.600 0.800 0.800 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.29936E-02 ppm1 7.825 ppm2 0.629 CV 1 ASSI { 4700} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.600 0.900 0.900 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.24736E-02 ppm1 7.151 ppm2 1.670 CV 1 ASSI { 4701} (( segid " " and resid 141 and name HN )) ( segid " " and resid 138 and name HG2%) 2.800 1.000 1.000 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 7.159 ppm2 1.155 CV 1 ASSI { 4704} (( segid " " and resid 142 and name HN )) ( segid " " and resid 90 and name HE% ) 3.000 1.200 1.200 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 8.089 ppm2 6.696 CV 1 ASSI { 4706} (( segid " " and resid 142 and name HN )) (( segid " " and resid 90 and name HZ )) 3.100 1.200 1.200 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 8.107 ppm2 6.895 CV 1 ASSI { 4707} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.800 1.000 1.000 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 7.812 ppm2 2.995 CV 1 ASSI { 4710} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HN )) 2.700 2.700 3.300 peak 4710 spectrum 1 weight 0.10000E+01 volume 0.21281E-02 ppm1 7.703 ppm2 8.062 CV 1 ASSI { 4711} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HB% ) 2.400 0.700 0.700 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.41723E-02 ppm1 7.698 ppm2 1.367 CV 1 ASSI { 4712} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HB% ) 2.400 0.700 0.700 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.42886E-02 ppm1 8.112 ppm2 1.369 CV 1 ASSI { 4715} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 2.600 0.800 0.800 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.27449E-02 ppm1 8.114 ppm2 7.718 CV 1 ASSI { 4716} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HB% ) 2.100 0.600 0.600 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.92715E-02 ppm1 7.784 ppm2 1.365 CV 1 ASSI { 4717} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 2.500 0.800 0.800 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.32487E-02 ppm1 7.827 ppm2 3.974 CV 1 ASSI { 4719} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.400 0.700 0.700 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.46277E-02 ppm1 7.827 ppm2 1.800 CV 1 ASSI { 4720} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.900 1.000 1.000 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 7.492 ppm2 3.570 CV 1 ASSI { 4726} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA1 )) 2.200 0.600 0.600 peak 4726 spectrum 1 weight 0.10000E+01 volume 0.69172E-02 ppm1 7.337 ppm2 3.719 CV 1 ASSI { 4727} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HG1 )) 3.100 1.200 1.200 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.88484E-03 ppm1 7.338 ppm2 1.895 CV 1 ASSI { 4729} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HG11)) 2.800 1.000 1.000 peak 4729 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 7.340 ppm2 0.915 CV 1 OR { 4729} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB )) ASSI { 4732} (( segid " " and resid 153 and name HN )) ( segid " " and resid 152 and name HG2%) 2.300 0.600 0.600 peak 4732 spectrum 1 weight 0.10000E+01 volume 0.61971E-02 ppm1 7.060 ppm2 0.982 CV 1 ASSI { 4733} (( segid " " and resid 153 and name HN )) ( segid " " and resid 151 and name HB% ) 2.500 0.800 0.800 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.38720E-02 ppm1 7.059 ppm2 1.214 CV 1 ASSI { 4736} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HG2 )) 2.600 0.800 0.800 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.29000E-02 ppm1 8.040 ppm2 1.323 CV 1 ASSI { 4737} (( segid " " and resid 154 and name HN )) ( segid " " and resid 143 and name HD2%) 2.600 2.600 3.400 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.30743E-02 ppm1 8.047 ppm2 0.830 CV 1 OR { 4737} (( segid " " and resid 154 and name HN )) ( segid " " and resid 143 and name HD1%) ASSI { 4738} (( segid " " and resid 154 and name HN )) ( segid " " and resid 111 and name HG2%) 3.200 1.200 1.200 peak 4738 spectrum 1 weight 0.10000E+01 volume 0.85577E-03 ppm1 8.043 ppm2 0.476 CV 1 OR { 4738} (( segid " " and resid 154 and name HN )) ( segid " " and resid 111 and name HD1%) ASSI { 4743} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HG )) 2.900 1.000 1.000 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.925 ppm2 1.173 CV 1 ASSI { 4744} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB1 )) 3.000 1.100 1.100 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 7.924 ppm2 0.979 CV 1 ASSI { 4748} (( segid " " and resid 158 and name HN )) ( segid " " and resid 117 and name HD1%) 2.900 2.900 3.100 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 8.348 ppm2 0.455 CV 1 ASSI { 4758} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HA )) 2.800 1.000 1.000 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 8.036 ppm2 4.154 CV 1 ASSI { 4760} (( segid " " and resid 163 and name HN )) (( segid " " and resid 158 and name HB1 )) 2.900 1.000 1.000 peak 4760 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 7.838 ppm2 3.829 CV 1 ASSI { 4761} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HG2 )) 2.500 0.800 0.800 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.37751E-02 ppm1 7.840 ppm2 1.585 CV 1 ASSI { 4765} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA2 )) 2.700 0.900 0.900 peak 4765 spectrum 1 weight 0.10000E+01 volume 0.21411E-02 ppm1 7.460 ppm2 4.134 CV 1 ASSI { 4766} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HA )) 2.600 0.800 0.800 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.30517E-02 ppm1 7.461 ppm2 3.775 CV 1 ASSI { 4767} (( segid " " and resid 165 and name HN )) (( segid " " and resid 157 and name HB2 )) 3.000 1.100 1.100 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 7.460 ppm2 2.565 CV 1 ASSI { 4768} (( segid " " and resid 165 and name HN )) (( segid " " and resid 162 and name HB1 )) 3.000 1.100 1.100 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 7.459 ppm2 2.240 CV 1 ASSI { 4770} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HG )) 2.600 0.900 0.900 peak 4770 spectrum 1 weight 0.10000E+01 volume 0.24899E-02 ppm1 7.456 ppm2 1.629 CV 1 ASSI { 4772} (( segid " " and resid 165 and name HN )) ( segid " " and resid 168 and name HG2%) 3.100 1.200 1.200 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.97206E-03 ppm1 7.457 ppm2 0.710 CV 1 ASSI { 4777} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HB1 )) 2.700 0.900 0.900 peak 4777 spectrum 1 weight 0.10000E+01 volume 0.24220E-02 ppm1 7.929 ppm2 1.699 CV 1 ASSI { 4778} (( segid " " and resid 172 and name HN )) ( segid " " and resid 111 and name HD1%) 2.800 0.900 0.900 peak 4778 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 7.924 ppm2 0.474 CV 1 OR { 4778} (( segid " " and resid 172 and name HN )) ( segid " " and resid 111 and name HG2%) ASSI { 4781} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.900 1.100 1.100 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.14144E-02 ppm1 8.299 ppm2 4.279 CV 1 ASSI { 4792} (( segid " " and resid 22 and name HN )) ( segid " " and resid 159 and name HB% ) 2.800 1.000 1.000 peak 4792 spectrum 1 weight 0.10000E+01 volume 0.17858E-02 ppm1 8.840 ppm2 1.689 CV 1 ASSI { 4793} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HB2 )) 2.300 0.600 0.600 peak 4793 spectrum 1 weight 0.10000E+01 volume 0.65071E-02 ppm1 7.777 ppm2 1.771 CV 1 ASSI { 4802} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) 3.000 1.100 1.100 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 8.669 ppm2 2.252 CV 1 ASSI { 4806} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) 2.600 0.800 0.800 peak 4806 spectrum 1 weight 0.10000E+01 volume 0.29936E-02 ppm1 9.080 ppm2 1.828 CV 1 OR { 4806} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) ASSI { 4809} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HD1%) 2.600 0.900 0.900 peak 4809 spectrum 1 weight 0.10000E+01 volume 0.25414E-02 ppm1 9.480 ppm2 0.754 CV 1 ASSI { 4810} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG )) 3.100 1.200 1.200 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.93975E-03 ppm1 9.471 ppm2 1.369 CV 1 ASSI { 4823} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HG2%) 2.800 1.000 1.000 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 8.548 ppm2 0.751 CV 1 ASSI { 4826} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HD2%) 2.900 1.000 1.000 peak 4826 spectrum 1 weight 0.10000E+01 volume 0.15242E-02 ppm1 9.205 ppm2 1.174 CV 1 ASSI { 4832} (( segid " " and resid 115 and name HN )) (( segid " " and resid 82 and name HA )) 3.100 3.100 2.900 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.91390E-03 ppm1 9.214 ppm2 4.645 CV 1 ASSI { 4833} (( segid " " and resid 115 and name HN )) ( segid " " and resid 84 and name HD2%) 3.000 1.200 1.200 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 9.205 ppm2 0.983 CV 1 ASSI { 4837} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 4837 spectrum 1 weight 0.10000E+01 volume 0.21959E-02 ppm1 8.264 ppm2 3.784 CV 1 ASSI { 4843} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 2.700 0.900 0.900 peak 4843 spectrum 1 weight 0.10000E+01 volume 0.23445E-02 ppm1 7.148 ppm2 1.557 CV 1 ASSI { 4844} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HG2 )) 2.700 0.900 0.900 peak 4844 spectrum 1 weight 0.10000E+01 volume 0.21411E-02 ppm1 7.149 ppm2 1.327 CV 1 OR { 4844} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HG1 )) ASSI { 4850} (( segid " " and resid 123 and name HN )) ( segid " " and resid 126 and name HD1%) 2.900 1.000 1.000 peak 4850 spectrum 1 weight 0.10000E+01 volume 0.14370E-02 ppm1 8.789 ppm2 0.743 CV 1 ASSI { 4851} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) 3.000 1.100 1.100 peak 4851 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 8.674 ppm2 2.083 CV 1 ASSI { 4854} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 3.100 1.200 1.200 peak 4854 spectrum 1 weight 0.10000E+01 volume 0.98491E-03 ppm1 8.676 ppm2 1.589 CV 1 ASSI { 4863} (( segid " " and resid 157 and name HN )) ( segid " " and resid 84 and name HD1%) 2.700 0.900 0.900 peak 4863 spectrum 1 weight 0.10000E+01 volume 0.20635E-02 ppm1 9.007 ppm2 0.475 CV 1 ASSI { 4867} (( segid " " and resid 157 and name HN )) ( segid " " and resid 117 and name HD2%) 3.000 1.100 1.100 peak 4867 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 9.011 ppm2 0.678 CV 1 ASSI { 4870} (( segid " " and resid 159 and name HN )) ( segid " " and resid 165 and name HD1%) 2.900 2.900 3.100 peak 4870 spectrum 1 weight 0.10000E+01 volume 0.12885E-02 ppm1 9.338 ppm2 0.993 CV 1 ASSI { 4895} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HD1%) 2.900 2.900 3.100 peak 4895 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 8.048 ppm2 0.854 CV 1 ASSI { 4944} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HD2 )) 3.000 1.100 1.100 peak 4944 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 7.050 ppm2 1.721 CV 1 ASSI { 5138} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG1%) 2.600 0.900 0.900 peak 5138 spectrum 1 weight 0.10000E+01 volume 0.26125E-02 ppm1 9.216 ppm2 0.742 CV 1 ASSI { 5295} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB2 )) 2.400 0.700 0.700 peak 5295 spectrum 1 weight 0.10000E+01 volume 0.43015E-02 ppm1 7.767 ppm2 1.605 CV 1 ASSI { 5349} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 3 and name HN )) 3.000 1.100 1.100 peak 5349 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 7.553 ppm2 8.582 CV 1 ASSI { 5361} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 2 and name HB1 )) 2.700 0.900 0.900 peak 5361 spectrum 1 weight 0.10000E+01 volume 0.21475E-02 ppm1 7.553 ppm2 1.913 CV 1 ASSI { 5419} (( segid " " and resid 158 and name HN )) (( segid " " and resid 165 and name HG )) 3.000 1.100 1.100 peak 5419 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 8.351 ppm2 1.617 CV 1 ASSI { 8716} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HG1 )) 2.900 2.900 3.100 peak 8716 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 8.252 ppm2 1.500 CV 1 OR { 8716} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HG2 )) ASSI { 8763} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB2 )) 3.000 1.100 1.100 peak 8763 spectrum 1 weight 0.10000E+01 volume 0.12401E-02 ppm1 8.267 ppm2 2.009 CV 1 ASSI { 8784} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 8784 spectrum 1 weight 0.10000E+01 volume 0.12239E-02 ppm1 7.438 ppm2 4.257 CV 1 ASSI { 8819} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HG2 )) 3.100 1.200 1.200 peak 8819 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 7.681 ppm2 1.171 CV 1 ASSI { 8820} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 97 and name HD1 )) 3.000 1.100 1.100 peak 8820 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 11.587 ppm2 6.673 CV 1 ASSI { 8915} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HE21)) 3.200 3.200 2.800 peak 8915 spectrum 1 weight 0.10000E+01 volume 0.81702E-03 ppm1 8.091 ppm2 6.495 CV 1 ASSI { 9121} (( segid " " and resid 135 and name HN )) (( segid " " and resid 87 and name HG1 )) 2.800 1.000 1.000 peak 9121 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 7.768 ppm2 2.000 CV 1 ASSI { 9125} (( segid " " and resid 135 and name HN )) (( segid " " and resid 87 and name HG2 )) 2.800 1.000 1.000 peak 9125 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 7.764 ppm2 2.210 CV 1 ASSI { 9131} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA2 )) 2.200 0.600 0.600 peak 9131 spectrum 1 weight 0.10000E+01 volume 0.80023E-02 ppm1 8.431 ppm2 4.058 CV 1 ASSI { 9137} (( segid " " and resid 4 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.000 1.200 1.200 peak 9137 spectrum 1 weight 0.10000E+01 volume 0.10592E-02 ppm1 8.387 ppm2 2.649 CV 1 ASSI { 9138} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) 2.700 0.900 0.900 peak 9138 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 7.298 ppm2 1.559 CV 1 ASSI { 9142} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 9142 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 7.953 ppm2 2.162 CV 1 ASSI { 9154} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG1%) 2.400 0.700 0.700 peak 9154 spectrum 1 weight 0.10000E+01 volume 0.45824E-02 ppm1 8.576 ppm2 0.762 CV 1 OR { 9154} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG2%) ASSI { 9158} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.700 0.900 0.900 peak 9158 spectrum 1 weight 0.10000E+01 volume 0.24382E-02 ppm1 7.334 ppm2 1.580 CV 1 ASSI { 9167} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB )) 2.600 0.800 0.800 peak 9167 spectrum 1 weight 0.10000E+01 volume 0.28192E-02 ppm1 7.326 ppm2 3.484 CV 1 ASSI { 9169} (( segid " " and resid 81 and name HN )) ( segid " " and resid 115 and name HG2%) 3.000 3.000 3.000 peak 9169 spectrum 1 weight 0.10000E+01 volume 0.12788E-02 ppm1 8.849 ppm2 0.580 CV 1 ASSI { 9171} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG2 )) 2.800 1.000 1.000 peak 9171 spectrum 1 weight 0.10000E+01 volume 0.17148E-02 ppm1 7.516 ppm2 1.759 CV 1 ASSI { 9172} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 9172 spectrum 1 weight 0.10000E+01 volume 0.96880E-03 ppm1 7.932 ppm2 5.039 CV 1 ASSI { 9173} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA2 )) 2.500 0.800 0.800 peak 9173 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 7.939 ppm2 4.053 CV 1 ASSI { 9176} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HE1 )) 2.400 2.400 3.600 peak 9176 spectrum 1 weight 0.10000E+01 volume 0.41142E-02 ppm1 8.024 ppm2 2.763 CV 1 ASSI { 9179} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.900 1.000 1.000 peak 9179 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 7.870 ppm2 3.681 CV 1 ASSI { 9183} (( segid " " and resid 92 and name HN )) ( segid " " and resid 93 and name HG1%) 2.900 1.100 1.100 peak 9183 spectrum 1 weight 0.10000E+01 volume 0.13176E-02 ppm1 7.872 ppm2 0.796 CV 1 ASSI { 9186} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HN )) 2.900 1.100 1.100 peak 9186 spectrum 1 weight 0.10000E+01 volume 0.13079E-02 ppm1 8.084 ppm2 7.824 CV 1 ASSI { 9187} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HB% ) 2.500 0.800 0.800 peak 9187 spectrum 1 weight 0.10000E+01 volume 0.31680E-02 ppm1 7.975 ppm2 1.358 CV 1 ASSI { 9191} (( segid " " and resid 122 and name HN )) (( segid " " and resid 126 and name HB )) 3.100 3.100 2.900 peak 9191 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 7.162 ppm2 1.857 CV 1 ASSI { 9194} (( segid " " and resid 100 and name HN )) ( segid " " and resid 101 and name HG2%) 3.000 1.200 1.200 peak 9194 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 7.517 ppm2 0.386 CV 1 ASSI { 9202} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HD2%) 2.600 0.900 0.900 peak 9202 spectrum 1 weight 0.10000E+01 volume 0.25221E-02 ppm1 9.007 ppm2 1.026 CV 1 ASSI { 9206} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HD2 )) 2.900 1.100 1.100 peak 9206 spectrum 1 weight 0.10000E+01 volume 0.14209E-02 ppm1 7.842 ppm2 3.083 CV 1 OR { 9206} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HD1 )) ASSI { 9236} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HG2 )) 3.100 3.100 2.900 peak 9236 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 7.831 ppm2 2.155 CV 1 ASSI { 9237} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HA )) 3.000 1.100 1.100 peak 9237 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 7.323 ppm2 4.143 CV 1 ASSI { 9251} (( segid " " and resid 124 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.100 2.100 3.900 peak 9251 spectrum 1 weight 0.10000E+01 volume 0.94329E-02 ppm1 8.433 ppm2 2.620 CV 1 ASSI { 9260} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD2 )) 2.700 2.700 3.300 peak 9260 spectrum 1 weight 0.10000E+01 volume 0.21733E-02 ppm1 7.940 ppm2 3.672 CV 1 ASSI { 9262} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HG2 )) 3.000 1.100 1.100 peak 9262 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 7.941 ppm2 2.248 CV 1 ASSI { 9263} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 9263 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 8.580 ppm2 2.630 CV 1 ASSI { 9265} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 2.800 1.000 1.000 peak 9265 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 9.131 ppm2 1.141 CV 1 ASSI { 9267} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.900 2.900 3.100 peak 9267 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 9.134 ppm2 2.662 CV 1 ASSI { 9270} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.900 2.900 3.100 peak 9270 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 8.999 ppm2 1.769 CV 1 ASSI { 9272} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG )) 2.700 0.900 0.900 peak 9272 spectrum 1 weight 0.10000E+01 volume 0.24349E-02 ppm1 7.462 ppm2 1.714 CV 1 ASSI { 9275} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HD2%) 3.000 1.100 1.100 peak 9275 spectrum 1 weight 0.10000E+01 volume 0.11044E-02 ppm1 8.274 ppm2 1.034 CV 1 ASSI { 9278} (( segid " " and resid 125 and name HN )) ( segid " " and resid 126 and name HG2%) 3.000 3.000 3.000 peak 9278 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 7.969 ppm2 0.826 CV 1 ASSI { 9279} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HG12)) 2.700 0.900 0.900 peak 9279 spectrum 1 weight 0.10000E+01 volume 0.22217E-02 ppm1 8.473 ppm2 1.571 CV 1 ASSI { 9282} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 0.900 0.900 peak 9282 spectrum 1 weight 0.10000E+01 volume 0.19506E-02 ppm1 7.324 ppm2 3.690 CV 1 ASSI { 9291} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG )) 3.100 1.200 1.200 peak 9291 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 8.871 ppm2 1.471 CV 1 ASSI { 9293} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HG1%) 2.600 0.800 0.800 peak 9293 spectrum 1 weight 0.10000E+01 volume 0.30162E-02 ppm1 7.388 ppm2 0.576 CV 1 ASSI { 9294} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HG1%) 2.600 0.900 0.900 peak 9294 spectrum 1 weight 0.10000E+01 volume 0.24511E-02 ppm1 7.699 ppm2 0.581 CV 1 ASSI { 9295} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.000 3.000 3.000 peak 9295 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 8.459 ppm2 2.098 CV 1 ASSI { 9296} (( segid " " and resid 86 and name HN )) (( segid " " and resid 137 and name HG12)) 3.100 1.200 1.200 peak 9296 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 7.698 ppm2 1.190 CV 1 ASSI { 9297} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HG )) 3.100 3.100 2.900 peak 9297 spectrum 1 weight 0.10000E+01 volume 0.93332E-03 ppm1 7.686 ppm2 1.426 CV 1 ASSI { 9298} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.900 2.900 3.100 peak 9298 spectrum 1 weight 0.10000E+01 volume 0.14403E-02 ppm1 7.700 ppm2 4.307 CV 1 OR { 9298} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HB1 )) ASSI { 9299} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 9299 spectrum 1 weight 0.10000E+01 volume 0.22089E-02 ppm1 8.751 ppm2 3.424 CV 1 ASSI { 9303} (( segid " " and resid 126 and name HN )) ( segid " " and resid 129 and name HD2%) 2.400 2.400 3.600 peak 9303 spectrum 1 weight 0.10000E+01 volume 0.42079E-02 ppm1 8.465 ppm2 0.797 CV 1 ASSI { 9305} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.100 3.100 2.900 peak 9305 spectrum 1 weight 0.10000E+01 volume 0.94301E-03 ppm1 8.059 ppm2 1.637 CV 1 ASSI { 9310} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HG2%) 3.000 1.100 1.100 peak 9310 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 7.929 ppm2 0.373 CV 1 ASSI { 9311} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 9311 spectrum 1 weight 0.10000E+01 volume 0.18472E-02 ppm1 8.757 ppm2 3.624 CV 1 ASSI { 9320} (( segid " " and resid 110 and name HN )) ( segid " " and resid 151 and name HB% ) 3.200 1.200 1.200 peak 9320 spectrum 1 weight 0.10000E+01 volume 0.85577E-03 ppm1 8.547 ppm2 1.215 CV 1 ASSI { 9321} (( segid " " and resid 142 and name HN )) ( segid " " and resid 143 and name HD1%) 2.900 2.900 3.100 peak 9321 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 8.097 ppm2 0.839 CV 1 OR { 9321} (( segid " " and resid 142 and name HN )) ( segid " " and resid 143 and name HD2%) ASSI { 9327} (( segid " " and resid 23 and name HN )) ( segid " " and resid 165 and name HD1%) 2.700 0.900 0.900 peak 9327 spectrum 1 weight 0.10000E+01 volume 0.22250E-02 ppm1 7.758 ppm2 0.969 CV 1 ASSI { 9331} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HD1 )) 3.000 1.200 1.200 peak 9331 spectrum 1 weight 0.10000E+01 volume 0.10657E-02 ppm1 7.799 ppm2 2.915 CV 1 ASSI { 9332} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.800 0.800 peak 9332 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 7.765 ppm2 4.131 CV 1 ASSI { 9333} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HA1 )) 3.200 1.200 1.200 peak 9333 spectrum 1 weight 0.10000E+01 volume 0.84609E-03 ppm1 8.113 ppm2 3.054 CV 1 ASSI { 9334} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HG1 )) 2.300 2.300 3.700 peak 9334 spectrum 1 weight 0.10000E+01 volume 0.52509E-02 ppm1 7.830 ppm2 1.332 CV 1 ASSI { 9336} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HD% ) 2.900 1.100 1.100 peak 9336 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 7.755 ppm2 6.250 CV 1 ASSI { 9340} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.800 1.000 1.000 peak 9340 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 7.502 ppm2 1.982 CV 1 OR { 9340} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB1 )) ASSI { 9341} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HG12)) 2.700 0.900 0.900 peak 9341 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 7.339 ppm2 1.218 CV 1 ASSI { 9345} (( segid " " and resid 153 and name HN )) (( segid " " and resid 111 and name HA )) 2.600 0.800 0.800 peak 9345 spectrum 1 weight 0.10000E+01 volume 0.27966E-02 ppm1 7.054 ppm2 4.309 CV 1 ASSI { 9346} (( segid " " and resid 153 and name HN )) (( segid " " and resid 112 and name HN )) 2.900 1.100 1.100 peak 9346 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.060 ppm2 8.262 CV 1 ASSI { 9347} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 2.500 0.800 0.800 peak 9347 spectrum 1 weight 0.10000E+01 volume 0.37718E-02 ppm1 8.034 ppm2 1.554 CV 1 OR { 9347} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) ASSI { 9348} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HG2 )) 3.100 1.200 1.200 peak 9348 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 8.286 ppm2 1.324 CV 1 ASSI { 9349} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.000 1.100 1.100 peak 9349 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 7.911 ppm2 1.781 CV 1 OR { 9349} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) ASSI { 9350} (( segid " " and resid 157 and name HN )) (( segid " " and resid 163 and name HG1 )) 2.900 2.900 3.100 peak 9350 spectrum 1 weight 0.10000E+01 volume 0.14564E-02 ppm1 9.003 ppm2 1.557 CV 1 OR { 9350} (( segid " " and resid 157 and name HN )) (( segid " " and resid 163 and name HB1 )) OR { 9350} (( segid " " and resid 157 and name HN )) (( segid " " and resid 163 and name HG2 )) ASSI { 9351} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.100 1.200 1.200 peak 9351 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 9.001 ppm2 1.788 CV 1 ASSI { 9352} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.700 0.900 0.900 peak 9352 spectrum 1 weight 0.10000E+01 volume 0.23348E-02 ppm1 7.915 ppm2 1.555 CV 1 ASSI { 9353} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HG )) 3.200 1.300 1.300 peak 9353 spectrum 1 weight 0.10000E+01 volume 0.81056E-03 ppm1 7.388 ppm2 0.757 CV 1 ASSI { 9355} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HD2%) 3.000 1.100 1.100 peak 9355 spectrum 1 weight 0.10000E+01 volume 0.10980E-02 ppm1 8.055 ppm2 0.420 CV 1 ASSI { 9356} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HG2 )) 2.900 2.900 3.100 peak 9356 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.926 ppm2 2.424 CV 1 ASSI { 9357} (( segid " " and resid 164 and name HN )) (( segid " " and resid 164 and name HA2 )) 3.000 1.200 1.200 peak 9357 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 9.093 ppm2 4.137 CV 1 ASSI { 9358} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HB1 )) 3.200 1.200 1.200 peak 9358 spectrum 1 weight 0.10000E+01 volume 0.84609E-03 ppm1 9.094 ppm2 1.559 CV 1 OR { 9358} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HG2 )) ASSI { 9360} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HG2 )) 2.400 0.700 0.700 peak 9360 spectrum 1 weight 0.10000E+01 volume 0.39463E-02 ppm1 8.541 ppm2 1.669 CV 1 OR { 9360} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HD1 )) ASSI { 9370} (( segid " " and resid 167 and name HN )) ( segid " " and resid 168 and name HG2%) 2.800 1.000 1.000 peak 9370 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 7.700 ppm2 0.702 CV 1 ASSI { 9374} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB2 )) 2.700 0.900 0.900 peak 9374 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 8.119 ppm2 2.621 CV 1 ASSI { 9377} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB1 )) 2.700 0.900 0.900 peak 9377 spectrum 1 weight 0.10000E+01 volume 0.22767E-02 ppm1 8.114 ppm2 2.446 CV 1 ASSI { 9378} (( segid " " and resid 182 and name HN )) (( segid " " and resid 181 and name HB2 )) 2.300 0.600 0.600 peak 9378 spectrum 1 weight 0.10000E+01 volume 0.64393E-02 ppm1 8.092 ppm2 2.199 CV 1 ASSI { 9381} (( segid " " and resid 182 and name HN )) ( segid " " and resid 182 and name HG2%) 2.000 0.500 0.500 peak 9381 spectrum 1 weight 0.10000E+01 volume 0.14751E-01 ppm1 8.092 ppm2 0.864 CV 1 ASSI { 9385} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HG1 )) 3.200 3.200 2.800 peak 9385 spectrum 1 weight 0.10000E+01 volume 0.84609E-03 ppm1 7.922 ppm2 1.463 CV 1 OR { 9385} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HG2 )) ASSI { 9386} (( segid " " and resid 172 and name HN )) ( segid " " and resid 79 and name HD1%) 3.200 3.200 2.800 peak 9386 spectrum 1 weight 0.10000E+01 volume 0.76858E-03 ppm1 7.919 ppm2 0.231 CV 1 ASSI { 9389} (( segid " " and resid 111 and name HN )) ( segid " " and resid 77 and name HG2%) 2.600 0.900 0.900 peak 9389 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 8.990 ppm2 0.756 CV 1 ASSI { 9390} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HG2%) 2.800 1.000 1.000 peak 9390 spectrum 1 weight 0.10000E+01 volume 0.17825E-02 ppm1 8.993 ppm2 0.460 CV 1 OR { 9390} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HD1%) ASSI { 9398} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG11)) 2.900 1.000 1.000 peak 9398 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 8.991 ppm2 0.979 CV 1 ASSI { 9443} (( segid " " and resid 111 and name HN )) ( segid " " and resid 79 and name HD2%) 3.000 1.100 1.100 peak 9443 spectrum 1 weight 0.10000E+01 volume 0.11173E-02 ppm1 8.989 ppm2 0.247 CV 1 ASSI { 9444} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 3.000 1.100 1.100 peak 9444 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 8.982 ppm2 1.799 CV 1 ASSI { 9450} (( segid " " and resid 117 and name HN )) (( segid " " and resid 158 and name HA )) 3.000 1.100 1.100 peak 9450 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 8.282 ppm2 5.144 CV 1 ASSI { 9504} (( segid " " and resid 117 and name HN )) (( segid " " and resid 158 and name HB2 )) 3.100 1.200 1.200 peak 9504 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 8.266 ppm2 4.029 CV 1 ASSI {10718} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 180 and name HB1 )) 3.000 1.100 1.100 peak 10718 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 7.596 ppm2 1.834 CV 1 ASSI {10720} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 10720 spectrum 1 weight 0.10000E+01 volume 0.16793E-02 ppm1 6.926 ppm2 4.894 CV 1 ASSI {10722} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 180 and name HB1 )) 2.800 1.000 1.000 peak 10722 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 6.931 ppm2 1.826 CV 1 ASSI {10724} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.000 1.100 1.100 peak 10724 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 8.899 ppm2 2.151 CV 1 ASSI {10728} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.300 1.300 1.300 peak 10728 spectrum 1 weight 0.10000E+01 volume 0.68785E-03 ppm1 8.168 ppm2 4.216 CV 1 ASSI {11205} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HD% ) 3.300 1.300 1.300 peak 11205 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 7.066 ppm2 6.795 CV 1 ASSI {11250} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HD1 )) 3.200 1.300 1.300 peak 11250 spectrum 1 weight 0.10000E+01 volume 0.83639E-03 ppm1 7.162 ppm2 3.082 CV 1 ASSI {12057} (( segid " " and resid 170 and name HN )) ( segid " " and resid 169 and name HD% ) 3.100 1.200 1.200 peak 12057 spectrum 1 weight 0.10000E+01 volume 0.95269E-03 ppm1 8.112 ppm2 6.415 CV 1 ASSI {12061} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HD1 )) 3.100 1.200 1.200 peak 12061 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 8.427 ppm2 3.039 CV 1 OR {12061} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HD2 )) ASSI {12064} (( segid " " and resid 171 and name HN )) (( segid " " and resid 168 and name HA )) 3.300 1.300 1.300 peak 12064 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 8.235 ppm2 3.033 CV 1 ASSI {12079} (( segid " " and resid 74 and name HE22)) (( segid " " and resid 183 and name HA )) 3.100 1.200 1.200 peak 12079 spectrum 1 weight 0.10000E+01 volume 0.93975E-03 ppm1 7.469 ppm2 4.201 CV 1 ASSI {12082} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 180 and name HB2 )) 3.200 1.300 1.300 peak 12082 spectrum 1 weight 0.10000E+01 volume 0.75566E-03 ppm1 7.586 ppm2 2.301 CV 1 ASSI {12086} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 12086 spectrum 1 weight 0.10000E+01 volume 0.17923E-02 ppm1 7.327 ppm2 5.134 CV 1 ASSI {12087} (( segid " " and resid 52 and name HD21)) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 12087 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 6.570 ppm2 5.122 CV 1 ASSI {12102} (( segid " " and resid 2 and name HE21)) (( segid " " and resid 4 and name HG12)) 2.800 1.000 1.000 peak 12102 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 6.726 ppm2 1.391 CV 1 ASSI {12104} (( segid " " and resid 2 and name HE21)) (( segid " " and resid 2 and name HB1 )) 2.900 2.900 3.100 peak 12104 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 6.733 ppm2 1.907 CV 1 ASSI {12106} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 4 and name HG12)) 2.800 1.000 1.000 peak 12106 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 7.554 ppm2 1.394 CV 1 ASSI {12108} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 2 and name HG1 )) 2.000 0.500 0.500 peak 12108 spectrum 1 weight 0.10000E+01 volume 0.12297E-01 ppm1 7.553 ppm2 2.205 CV 1 ASSI {12109} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 12109 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 7.188 ppm2 4.433 CV 1 ASSI {12119} (( segid " " and resid 2 and name HE22)) ( segid " " and resid 4 and name HD1%) 2.300 0.600 0.600 peak 12119 spectrum 1 weight 0.10000E+01 volume 0.61939E-02 ppm1 7.554 ppm2 0.701 CV 1 ASSI {12121} (( segid " " and resid 74 and name HE21)) (( segid " " and resid 183 and name HA )) 3.100 1.200 1.200 peak 12121 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 6.756 ppm2 4.197 CV 1 ASSI {12124} (( segid " " and resid 74 and name HE21)) (( segid " " and resid 74 and name HB1 )) 2.200 2.200 3.800 peak 12124 spectrum 1 weight 0.10000E+01 volume 0.68397E-02 ppm1 6.752 ppm2 2.147 CV 1 ASSI {12127} (( segid " " and resid 74 and name HE22)) (( segid " " and resid 74 and name HB1 )) 2.200 0.600 0.600 peak 12127 spectrum 1 weight 0.10000E+01 volume 0.72111E-02 ppm1 7.467 ppm2 2.138 CV 1 ASSI {12128} (( segid " " and resid 74 and name HE22)) (( segid " " and resid 5 and name HD1 )) 2.800 1.000 1.000 peak 12128 spectrum 1 weight 0.10000E+01 volume 0.18859E-02 ppm1 7.470 ppm2 1.557 CV 1 OR {12128} (( segid " " and resid 74 and name HE22)) (( segid " " and resid 5 and name HD2 )) ASSI {12130} (( segid " " and resid 74 and name HE22)) ( segid " " and resid 182 and name HG1%) 3.300 1.300 1.300 peak 12130 spectrum 1 weight 0.10000E+01 volume 0.70723E-03 ppm1 7.470 ppm2 0.813 CV 1 ASSI {12131} (( segid " " and resid 74 and name HE21)) ( segid " " and resid 182 and name HG1%) 2.900 2.900 3.100 peak 12131 spectrum 1 weight 0.10000E+01 volume 0.14952E-02 ppm1 6.757 ppm2 0.818 CV 1 ASSI {12134} (( segid " " and resid 168 and name HN )) (( segid " " and resid 170 and name HB2 )) 3.200 3.200 2.800 peak 12134 spectrum 1 weight 0.10000E+01 volume 0.84609E-03 ppm1 7.049 ppm2 2.621 CV 1 ASSI {12138} (( segid " " and resid 161 and name HN )) (( segid " " and resid 158 and name HB1 )) 3.200 1.300 1.300 peak 12138 spectrum 1 weight 0.10000E+01 volume 0.80088E-03 ppm1 8.044 ppm2 3.855 CV 1 ASSI {12139} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) 3.100 1.200 1.200 peak 12139 spectrum 1 weight 0.10000E+01 volume 0.98491E-03 ppm1 7.391 ppm2 3.201 CV 1 ASSI {12144} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HD1%) 3.100 3.100 2.900 peak 12144 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 7.329 ppm2 0.501 CV 1 ASSI {12148} (( segid " " and resid 148 and name HN )) ( segid " " and resid 149 and name HG2%) 3.000 1.200 1.200 peak 12148 spectrum 1 weight 0.10000E+01 volume 0.10689E-02 ppm1 7.830 ppm2 0.204 CV 1 ASSI {12149} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA )) 2.500 0.800 0.800 peak 12149 spectrum 1 weight 0.10000E+01 volume 0.32487E-02 ppm1 7.813 ppm2 3.970 CV 1 ASSI {12152} (( segid " " and resid 119 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.000 3.000 3.000 peak 12152 spectrum 1 weight 0.10000E+01 volume 0.10592E-02 ppm1 7.813 ppm2 2.642 CV 1 ASSI {12153} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG1 )) 2.600 0.900 0.900 peak 12153 spectrum 1 weight 0.10000E+01 volume 0.24899E-02 ppm1 7.233 ppm2 1.384 CV 1 ASSI {12155} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.500 0.800 0.800 peak 12155 spectrum 1 weight 0.10000E+01 volume 0.34167E-02 ppm1 8.140 ppm2 3.980 CV 1 ASSI {12157} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.300 0.600 0.600 peak 12157 spectrum 1 weight 0.10000E+01 volume 0.64425E-02 ppm1 8.004 ppm2 4.043 CV 1 ASSI {12159} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 12159 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 8.462 ppm2 3.762 CV 1 ASSI {12161} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 2.500 0.800 0.800 peak 12161 spectrum 1 weight 0.10000E+01 volume 0.32455E-02 ppm1 8.461 ppm2 1.175 CV 1 ASSI {12162} (( segid " " and resid 125 and name HN )) (( segid " " and resid 127 and name HG1 )) 3.100 3.100 2.900 peak 12162 spectrum 1 weight 0.10000E+01 volume 0.92359E-03 ppm1 7.989 ppm2 2.322 CV 1 ASSI {12164} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 2.300 0.700 0.700 peak 12164 spectrum 1 weight 0.10000E+01 volume 0.50604E-02 ppm1 8.780 ppm2 4.545 CV 1 ASSI {12171} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 3.100 1.200 1.200 peak 12171 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 6.875 ppm2 3.964 CV 1 ASSI {12177} (( segid " " and resid 143 and name HN )) ( segid " " and resid 90 and name HE% ) 2.900 2.900 3.100 peak 12177 spectrum 1 weight 0.10000E+01 volume 0.14628E-02 ppm1 7.814 ppm2 6.671 CV 1 ASSI {12181} (( segid " " and resid 95 and name HN )) (( segid " " and resid 92 and name HA )) 2.800 1.000 1.000 peak 12181 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 7.810 ppm2 4.814 CV 1 ASSI {12183} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.900 1.100 1.100 peak 12183 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 7.806 ppm2 2.274 CV 1 ASSI {12186} (( segid " " and resid 86 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.100 3.100 2.900 peak 12186 spectrum 1 weight 0.10000E+01 volume 0.93332E-03 ppm1 7.696 ppm2 3.261 CV 1 ASSI {12187} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.200 1.300 1.300 peak 12187 spectrum 1 weight 0.10000E+01 volume 0.78796E-03 ppm1 7.403 ppm2 1.480 CV 1 ASSI {12193} (( segid " " and resid 82 and name HN )) ( segid " " and resid 84 and name HD2%) 3.200 1.300 1.300 peak 12193 spectrum 1 weight 0.10000E+01 volume 0.82671E-03 ppm1 8.886 ppm2 1.004 CV 1 ASSI {12195} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD1%) 2.300 0.700 0.700 peak 12195 spectrum 1 weight 0.10000E+01 volume 0.51540E-02 ppm1 8.525 ppm2 0.760 CV 1 ASSI {12196} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG )) 3.100 3.100 2.900 peak 12196 spectrum 1 weight 0.10000E+01 volume 0.95586E-03 ppm1 8.889 ppm2 1.408 CV 1 ASSI {12198} (( segid " " and resid 22 and name HN )) ( segid " " and resid 28 and name HD% ) 2.900 2.900 3.100 peak 12198 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 8.824 ppm2 6.822 CV 1 ASSI {12200} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB )) 3.200 1.300 1.300 peak 12200 spectrum 1 weight 0.10000E+01 volume 0.74921E-03 ppm1 8.495 ppm2 2.084 CV 1 ASSI {12201} (( segid " " and resid 82 and name HN )) ( segid " " and resid 113 and name HG1%) 3.100 1.200 1.200 peak 12201 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 8.877 ppm2 0.384 CV 1 ASSI {12203} (( segid " " and resid 78 and name HN )) ( segid " " and resid 108 and name HG2%) 2.800 1.000 1.000 peak 12203 spectrum 1 weight 0.10000E+01 volume 0.16825E-02 ppm1 8.495 ppm2 1.268 CV 1 ASSI {12204} (( segid " " and resid 78 and name HN )) (( segid " " and resid 110 and name HA )) 3.300 1.300 1.300 peak 12204 spectrum 1 weight 0.10000E+01 volume 0.69753E-03 ppm1 8.496 ppm2 4.843 CV 1 ASSI {12205} (( segid " " and resid 77 and name HN )) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 12205 spectrum 1 weight 0.10000E+01 volume 0.92682E-03 ppm1 7.385 ppm2 5.532 CV 1 ASSI {12208} (( segid " " and resid 76 and name HN )) ( segid " " and resid 182 and name HG1%) 2.900 1.000 1.000 peak 12208 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 8.706 ppm2 0.817 CV 1 ASSI {12209} (( segid " " and resid 75 and name HN )) ( segid " " and resid 7 and name HG2%) 2.800 2.800 3.200 peak 12209 spectrum 1 weight 0.10000E+01 volume 0.18020E-02 ppm1 7.335 ppm2 1.007 CV 1 ASSI {12212} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HE% ) 3.100 3.100 2.900 peak 12212 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 7.068 ppm2 6.545 CV 1 ASSI {12215} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.300 1.300 1.300 peak 12215 spectrum 1 weight 0.10000E+01 volume 0.71691E-03 ppm1 7.877 ppm2 3.148 CV 1 ASSI {12218} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HD1%) 3.000 1.100 1.100 peak 12218 spectrum 1 weight 0.10000E+01 volume 0.11561E-02 ppm1 8.745 ppm2 0.579 CV 1 ASSI {12220} (( segid " " and resid 52 and name HN )) (( segid " " and resid 1 and name HG1 )) 3.100 1.200 1.200 peak 12220 spectrum 1 weight 0.10000E+01 volume 0.86869E-03 ppm1 8.585 ppm2 2.295 CV 1 ASSI {12222} (( segid " " and resid 48 and name HN )) ( segid " " and resid 45 and name HE% ) 2.200 0.600 0.600 peak 12222 spectrum 1 weight 0.10000E+01 volume 0.70464E-02 ppm1 8.421 ppm2 1.757 CV 1 ASSI {12229} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.000 1.100 1.100 peak 12229 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 8.943 ppm2 2.259 CV 1 ASSI {12233} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HG2%) 2.900 1.000 1.000 peak 12233 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.653 ppm2 1.119 CV 1 ASSI {12238} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 12238 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 7.330 ppm2 3.023 CV 1 ASSI {12240} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.400 0.700 0.700 peak 12240 spectrum 1 weight 0.10000E+01 volume 0.47406E-02 ppm1 7.929 ppm2 1.711 CV 1 ASSI {12245} (( segid " " and resid 177 and name HN )) (( segid " " and resid 176 and name HB )) 3.100 1.200 1.200 peak 12245 spectrum 1 weight 0.10000E+01 volume 0.95269E-03 ppm1 8.116 ppm2 2.105 CV 1 ASSI {12248} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HB )) 3.300 3.300 2.700 peak 12248 spectrum 1 weight 0.10000E+01 volume 0.68785E-03 ppm1 9.295 ppm2 1.537 CV 1 ASSI {12250} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HG1 )) 2.500 0.800 0.800 peak 12250 spectrum 1 weight 0.10000E+01 volume 0.37880E-02 ppm1 8.328 ppm2 1.389 CV 1 ASSI {12251} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HE2 )) 3.100 1.200 1.200 peak 12251 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 8.329 ppm2 2.858 CV 1 OR {12251} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HE1 )) ASSI {12262} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HB2 )) 2.100 0.500 0.500 peak 12262 spectrum 1 weight 0.10000E+01 volume 0.10098E-01 ppm1 8.144 ppm2 1.514 CV 1 ASSI {12265} (( segid " " and resid 183 and name HN )) (( segid " " and resid 183 and name HB1 )) 2.800 1.000 1.000 peak 12265 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 8.299 ppm2 1.683 CV 1 ASSI {12274} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 12274 spectrum 1 weight 0.10000E+01 volume 0.25414E-02 ppm1 7.325 ppm2 2.651 CV 1 OR {12274} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 52 and name HB2 )) ASSI {12279} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 12279 spectrum 1 weight 0.10000E+01 volume 0.93332E-03 ppm1 7.311 ppm2 3.628 CV 1 OR {12279} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 41 and name HB1 )) ASSI {12285} (( segid " " and resid 52 and name HD21)) (( segid " " and resid 41 and name HB1 )) 3.100 1.200 1.200 peak 12285 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 6.566 ppm2 3.589 CV 1 ASSI {12286} (( segid " " and resid 52 and name HD21)) (( segid " " and resid 52 and name HB1 )) 2.600 2.600 3.400 peak 12286 spectrum 1 weight 0.10000E+01 volume 0.26610E-02 ppm1 6.573 ppm2 2.632 CV 1 ASSI {12291} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HN )) 3.100 3.100 2.900 peak 12291 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 6.449 ppm2 8.485 CV 1 ASSI {12294} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 44 and name HA )) 3.000 3.000 3.000 peak 12294 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 6.444 ppm2 4.435 CV 1 ASSI {12297} (( segid " " and resid 43 and name HD21)) ( segid " " and resid 1 and name HE% ) 2.700 0.900 0.900 peak 12297 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 6.447 ppm2 1.852 CV 1 ASSI {12308} (( segid " " and resid 2 and name HE21)) (( segid " " and resid 3 and name HN )) 3.100 1.200 1.200 peak 12308 spectrum 1 weight 0.10000E+01 volume 0.87192E-03 ppm1 6.726 ppm2 8.583 CV 1 ASSI { 1058} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 5 and name HG2 )) 2.900 1.000 1.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 10.472 ppm2 0.858 CV 1 ASSI { 1100} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD2 )) 3.100 1.200 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.94943E-03 ppm1 7.681 ppm2 5.461 CV 1 ASSI { 1101} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG2 )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.93332E-03 ppm1 7.907 ppm2 2.158 CV 1 ASSI { 1759} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.95269E-03 ppm1 9.292 ppm2 5.586 CV 1 ASSI { 2031} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 2.700 0.900 0.900 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.20635E-02 ppm1 7.988 ppm2 2.689 CV 1 ASSI { 2178} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HG1 )) 2.900 2.900 3.100 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 7.921 ppm2 2.050 CV 1 ASSI { 2477} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 2.800 1.000 1.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.17503E-02 ppm1 7.862 ppm2 2.817 CV 1 ASSI { 2594} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB1 )) 2.500 0.800 0.800 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.36879E-02 ppm1 7.817 ppm2 1.166 CV 1 ASSI { 2679} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB2 )) 2.300 0.600 0.600 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.60518E-02 ppm1 8.186 ppm2 2.855 CV 1 ASSI { 2708} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HD2 )) 3.100 1.200 1.200 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 9.068 ppm2 4.012 CV 1 ASSI { 2716} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 7.881 ppm2 3.928 CV 1 ASSI { 3282} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.21119E-02 ppm1 8.127 ppm2 2.792 CV 1 OR { 3282} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 3400} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.79377E-02 ppm1 8.200 ppm2 4.290 CV 1 ASSI { 3403} (( segid " " and resid 182 and name HN )) (( segid " " and resid 182 and name HA )) 2.200 2.200 3.800 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.82057E-02 ppm1 8.093 ppm2 3.969 CV 1 ASSI { 3404} (( segid " " and resid 183 and name HN )) (( segid " " and resid 182 and name HA )) 2.600 0.900 0.900 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.25673E-02 ppm1 8.294 ppm2 3.946 CV 1 ASSI { 4010} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 8.319 ppm2 3.014 CV 1 ASSI { 4019} (( segid " " and resid 175 and name HN )) ( segid " " and resid 175 and name HB% ) 2.300 0.600 0.600 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.61713E-02 ppm1 7.783 ppm2 1.351 CV 1 ASSI { 4020} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) 2.400 0.700 0.700 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.47310E-02 ppm1 7.781 ppm2 3.965 CV 1 ASSI { 4023} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HA )) 2.800 1.000 1.000 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 7.193 ppm2 3.736 CV 1 ASSI { 4024} (( segid " " and resid 176 and name HN )) ( segid " " and resid 176 and name HG2%) 2.400 0.700 0.700 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.46438E-02 ppm1 7.194 ppm2 0.827 CV 1 OR { 4024} (( segid " " and resid 176 and name HN )) ( segid " " and resid 176 and name HG1%) ASSI { 4025} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB )) 2.700 0.900 0.900 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.20151E-02 ppm1 7.199 ppm2 2.077 CV 1 ASSI { 4027} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HA )) 2.600 0.900 0.900 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.25447E-02 ppm1 7.930 ppm2 3.687 CV 1 ASSI { 4028} (( segid " " and resid 172 and name HN )) ( segid " " and resid 172 and name HB% ) 2.400 0.700 0.700 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.44500E-02 ppm1 7.932 ppm2 1.229 CV 1 ASSI { 4039} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HB% ) 2.100 0.500 0.500 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.10905E-01 ppm1 7.514 ppm2 1.353 CV 1 ASSI { 4040} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB1 )) 2.600 0.800 0.800 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.28257E-02 ppm1 7.516 ppm2 1.165 CV 1 ASSI { 4041} (( segid " " and resid 144 and name HN )) ( segid " " and resid 143 and name HD2%) 2.500 2.500 3.500 peak 4041 spectrum 1 weight 0.10000E+01 volume 0.33295E-02 ppm1 7.515 ppm2 0.821 CV 1 OR { 4041} (( segid " " and resid 144 and name HN )) ( segid " " and resid 143 and name HD1%) ASSI { 4042} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 4042 spectrum 1 weight 0.10000E+01 volume 0.56610E-02 ppm1 7.513 ppm2 3.929 CV 1 ASSI { 4052} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HB% ) 2.200 0.600 0.600 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.79733E-02 ppm1 7.600 ppm2 1.067 CV 1 ASSI { 4062} (( segid " " and resid 159 and name HN )) ( segid " " and resid 159 and name HB% ) 2.900 1.000 1.000 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.14661E-02 ppm1 9.315 ppm2 1.692 CV 1 ASSI { 4074} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.800 1.000 1.000 peak 4074 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 9.034 ppm2 3.823 CV 1 ASSI { 4096} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 8.078 ppm2 3.692 CV 1 ASSI { 4097} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 8.181 ppm2 3.682 CV 1 ASSI { 4098} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB )) 3.000 1.200 1.200 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 9.196 ppm2 1.974 CV 1 ASSI { 4104} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG2 )) 2.700 2.700 3.300 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 8.440 ppm2 1.445 CV 1 ASSI { 4106} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG1%) 2.500 0.800 0.800 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.32325E-02 ppm1 8.062 ppm2 0.786 CV 1 ASSI { 4110} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.15985E-02 ppm1 8.673 ppm2 4.078 CV 1 ASSI { 4112} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 2.400 0.700 0.700 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.49571E-02 ppm1 8.678 ppm2 1.745 CV 1 ASSI { 4131} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.900 1.100 1.100 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 8.933 ppm2 4.398 CV 1 ASSI { 4135} (( segid " " and resid 178 and name HN )) (( segid " " and resid 178 and name HB1 )) 2.300 0.600 0.600 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.60518E-02 ppm1 8.183 ppm2 2.747 CV 1 ASSI { 4145} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HA )) 2.900 1.100 1.100 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 8.110 ppm2 4.139 CV 1 ASSI { 4150} (( segid " " and resid 177 and name HN )) (( segid " " and resid 177 and name HG )) 2.700 0.900 0.900 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.21830E-02 ppm1 8.106 ppm2 1.634 CV 1 ASSI { 4166} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB1 )) 2.500 0.800 0.800 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.36427E-02 ppm1 8.425 ppm2 1.685 CV 1 OR { 4166} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB2 )) ASSI { 4195} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB2 )) 2.900 1.100 1.100 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 8.352 ppm2 2.573 CV 1 ASSI { 4196} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 7.884 ppm2 3.820 CV 1 ASSI { 4204} (( segid " " and resid 155 and name HN )) ( segid " " and resid 155 and name HD2%) 2.700 0.900 0.900 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.22541E-02 ppm1 8.287 ppm2 0.753 CV 1 ASSI { 4206} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.900 1.100 1.100 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 8.299 ppm2 1.557 CV 1 ASSI { 4208} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG )) 2.900 1.100 1.100 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 8.294 ppm2 1.187 CV 1 ASSI { 4211} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 3.100 1.200 1.200 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.90099E-03 ppm1 8.285 ppm2 4.321 CV 1 ASSI { 4212} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB1 )) 3.000 1.100 1.100 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 8.296 ppm2 0.994 CV 1 ASSI { 4253} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.500 2.500 3.500 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.35135E-02 ppm1 8.433 ppm2 3.781 CV 1 ASSI { 4297} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 2.200 0.600 0.600 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.68494E-02 ppm1 8.434 ppm2 4.281 CV 1 ASSI { 4304} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.700 0.900 0.900 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.19893E-02 ppm1 7.976 ppm2 3.771 CV 1 ASSI { 4328} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HG1%) 2.900 1.100 1.100 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 8.302 ppm2 -0.213 CV 1 ASSI { 4350} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.900 1.000 1.000 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.15372E-02 ppm1 7.546 ppm2 3.037 CV 1 ASSI { 4351} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.900 2.900 3.100 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 7.549 ppm2 2.778 CV 1 ASSI { 4364} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 2.900 1.100 1.100 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.13983E-02 ppm1 10.482 ppm2 4.371 CV 1 ASSI { 4371} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.300 0.700 0.700 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.52154E-02 ppm1 7.302 ppm2 2.693 CV 1 ASSI { 4376} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD2%) 2.600 0.800 0.800 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.30356E-02 ppm1 7.298 ppm2 0.804 CV 1 OR { 4376} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 4421} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.41917E-02 ppm1 7.538 ppm2 4.442 CV 1 ASSI { 4435} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.18989E-02 ppm1 8.382 ppm2 5.053 CV 1 ASSI { 4447} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.99786E-03 ppm1 7.877 ppm2 4.251 CV 1 ASSI { 4450} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.600 0.900 0.900 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.26771E-02 ppm1 8.579 ppm2 4.500 CV 1 ASSI { 4453} (( segid " " and resid 52 and name HN )) ( segid " " and resid 3 and name HB% ) 2.900 1.100 1.100 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 8.588 ppm2 1.332 CV 1 ASSI { 4455} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.23897E-02 ppm1 9.125 ppm2 5.112 CV 1 ASSI { 4462} (( segid " " and resid 55 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.81702E-03 ppm1 8.755 ppm2 5.427 CV 1 ASSI { 4466} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 56 and name HZ2 )) 2.600 0.800 0.800 peak 4466 spectrum 1 weight 0.10000E+01 volume 0.27385E-02 ppm1 10.470 ppm2 7.330 CV 1 ASSI { 4467} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 56 and name HD1 )) 2.700 0.900 0.900 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 10.473 ppm2 7.174 CV 1 ASSI { 4477} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HG1%) 2.700 0.900 0.900 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.19602E-02 ppm1 7.381 ppm2 0.571 CV 1 ASSI { 4492} (( segid " " and resid 138 and name HN )) (( segid " " and resid 141 and name HG2 )) 2.800 1.000 1.000 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 7.811 ppm2 2.159 CV 1 ASSI { 4493} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 3.100 1.200 1.200 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 9.049 ppm2 4.375 CV 1 ASSI { 4494} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HD1 )) 3.000 1.100 1.100 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 9.046 ppm2 3.598 CV 1 ASSI { 4497} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 3.000 1.200 1.200 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.10592E-02 ppm1 9.030 ppm2 3.267 CV 1 ASSI { 4499} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.100 1.200 1.200 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.95269E-03 ppm1 9.027 ppm2 2.797 CV 1 ASSI { 4500} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 4500 spectrum 1 weight 0.10000E+01 volume 0.82026E-03 ppm1 9.027 ppm2 3.050 CV 1 ASSI { 4505} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HG2%) 2.800 1.000 1.000 peak 4505 spectrum 1 weight 0.10000E+01 volume 0.18052E-02 ppm1 8.317 ppm2 0.370 CV 1 ASSI { 4507} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA1 )) 2.500 0.800 0.800 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.33489E-02 ppm1 8.516 ppm2 3.722 CV 1 ASSI { 4511} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 2.700 0.900 0.900 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.21508E-02 ppm1 8.318 ppm2 2.764 CV 1 ASSI { 4538} (( segid " " and resid 3 and name HN )) ( segid " " and resid 3 and name HB% ) 2.300 0.600 0.600 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.62778E-02 ppm1 8.596 ppm2 1.369 CV 1 ASSI { 4541} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.700 0.900 0.900 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 8.370 ppm2 5.132 CV 1 ASSI { 4544} (( segid " " and resid 7 and name HN )) ( segid " " and resid 77 and name HG1%) 3.000 3.000 3.000 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.10592E-02 ppm1 7.499 ppm2 0.561 CV 1 ASSI { 4548} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 8.318 ppm2 3.012 CV 1 ASSI { 4550} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HB% ) 2.400 2.400 3.600 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.48181E-02 ppm1 8.317 ppm2 1.056 CV 1 ASSI { 4551} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB )) 2.500 2.500 3.500 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.33585E-02 ppm1 8.092 ppm2 4.193 CV 1 ASSI { 4555} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.11367E-02 ppm1 8.816 ppm2 4.495 CV 1 ASSI { 4556} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HG2%) 2.600 0.800 0.800 peak 4556 spectrum 1 weight 0.10000E+01 volume 0.29904E-02 ppm1 8.086 ppm2 1.138 CV 1 ASSI { 4562} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.900 2.900 3.100 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 7.596 ppm2 2.786 CV 1 ASSI { 4563} (( segid " " and resid 27 and name HN )) ( segid " " and resid 21 and name HG2%) 2.800 1.000 1.000 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 7.594 ppm2 0.658 CV 1 ASSI { 4564} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.500 0.800 0.800 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.37428E-02 ppm1 8.361 ppm2 3.963 CV 1 ASSI { 4565} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.100 1.200 1.200 peak 4565 spectrum 1 weight 0.10000E+01 volume 0.96880E-03 ppm1 10.485 ppm2 1.480 CV 1 ASSI { 4569} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) 3.100 1.200 1.200 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.158 ppm2 2.103 CV 1 ASSI { 4574} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.900 1.100 1.100 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.14016E-02 ppm1 8.430 ppm2 2.604 CV 1 ASSI { 4575} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA1 )) 2.300 0.700 0.700 peak 4575 spectrum 1 weight 0.10000E+01 volume 0.53607E-02 ppm1 8.431 ppm2 3.464 CV 1 ASSI { 4580} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA1 )) 2.600 0.900 0.900 peak 4580 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 7.937 ppm2 3.458 CV 1 ASSI { 4584} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.900 1.000 1.000 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 8.886 ppm2 5.775 CV 1 ASSI { 4587} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.24155E-02 ppm1 8.258 ppm2 4.141 CV 1 ASSI { 4588} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG1 )) 2.800 1.000 1.000 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.16308E-02 ppm1 8.276 ppm2 2.249 CV 1 OR { 4588} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 4589} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.18956E-02 ppm1 7.451 ppm2 3.921 CV 1 ASSI { 4594} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.000 1.100 1.100 peak 4594 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 8.496 ppm2 4.425 CV 1 ASSI { 4595} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD% ) 3.000 1.100 1.100 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 8.495 ppm2 6.794 CV 1 ASSI { 4596} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB )) 3.100 1.200 1.200 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.95269E-03 ppm1 7.382 ppm2 2.392 CV 1 ASSI { 4598} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.000 1.100 1.100 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 8.192 ppm2 3.281 CV 1 ASSI { 4600} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.100 1.200 1.200 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.96880E-03 ppm1 8.177 ppm2 2.781 CV 1 ASSI { 4605} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 2.800 1.000 1.000 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 7.877 ppm2 3.214 CV 1 ASSI { 4607} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG2%) 2.600 0.800 0.800 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.27708E-02 ppm1 8.064 ppm2 1.213 CV 1 ASSI { 4617} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HE1 )) 3.100 1.200 1.200 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.94301E-03 ppm1 7.970 ppm2 2.107 CV 1 OR { 4617} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HE2 )) ASSI { 4618} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.900 1.000 1.000 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.15565E-02 ppm1 7.932 ppm2 2.983 CV 1 ASSI { 4619} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.800 1.000 1.000 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 7.927 ppm2 1.424 CV 1 ASSI { 4621} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG2 )) 2.800 1.000 1.000 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.16502E-02 ppm1 7.928 ppm2 1.154 CV 1 ASSI { 4622} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB1 )) 2.300 0.700 0.700 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.55125E-02 ppm1 7.680 ppm2 2.981 CV 1 OR { 4622} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB2 )) ASSI { 4630} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 2.400 0.700 0.700 peak 4630 spectrum 1 weight 0.10000E+01 volume 0.48924E-02 ppm1 7.303 ppm2 2.402 CV 1 ASSI { 4632} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.900 1.000 1.000 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 7.295 ppm2 3.502 CV 1 ASSI { 4634} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) 3.100 1.200 1.200 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.87192E-03 ppm1 7.298 ppm2 4.325 CV 1 ASSI { 4639} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.800 1.000 1.000 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 7.160 ppm2 2.992 CV 1 ASSI { 4649} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB1 )) 2.800 1.000 1.000 peak 4649 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 8.142 ppm2 1.105 CV 1 ASSI { 4650} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.41239E-02 ppm1 8.139 ppm2 0.772 CV 1 ASSI { 4651} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HD1%) 2.500 0.800 0.800 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.30873E-02 ppm1 8.147 ppm2 0.657 CV 1 ASSI { 4652} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) 2.200 0.600 0.600 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.81121E-02 ppm1 8.325 ppm2 1.970 CV 1 ASSI { 4654} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HD2%) 2.600 2.600 3.400 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.26868E-02 ppm1 8.331 ppm2 0.775 CV 1 ASSI { 4657} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB1 )) 2.900 1.000 1.000 peak 4657 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 8.331 ppm2 1.095 CV 1 ASSI { 4658} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.200 0.600 0.600 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.83930E-02 ppm1 7.740 ppm2 2.118 CV 1 ASSI { 4661} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.31034E-02 ppm1 7.236 ppm2 4.369 CV 1 ASSI { 4669} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 4669 spectrum 1 weight 0.10000E+01 volume 0.13886E-02 ppm1 8.050 ppm2 4.362 CV 1 ASSI { 4672} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.400 0.700 0.700 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.40367E-02 ppm1 8.054 ppm2 3.838 CV 1 ASSI { 4674} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG1 )) 2.500 0.800 0.800 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.33198E-02 ppm1 8.053 ppm2 1.289 CV 1 ASSI { 4676} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 2.700 0.900 0.900 peak 4676 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 8.053 ppm2 1.924 CV 1 ASSI { 4677} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 7.906 ppm2 4.835 CV 1 ASSI { 4678} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.34263E-02 ppm1 7.905 ppm2 3.853 CV 1 ASSI { 4683} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB1 )) 2.800 1.000 1.000 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 7.902 ppm2 1.259 CV 1 ASSI { 4685} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA )) 3.100 3.100 2.900 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 7.913 ppm2 4.356 CV 1 ASSI { 4694} (( segid " " and resid 137 and name HN )) ( segid " " and resid 84 and name HD2%) 3.000 1.100 1.100 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.12465E-02 ppm1 8.670 ppm2 0.966 CV 1 ASSI { 4705} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 1.000 1.000 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 7.808 ppm2 3.371 CV 1 ASSI { 4708} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB2 )) 2.300 0.700 0.700 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.53574E-02 ppm1 7.811 ppm2 1.322 CV 1 ASSI { 4709} (( segid " " and resid 143 and name HN )) ( segid " " and resid 143 and name HD1%) 2.400 2.400 3.600 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.48731E-02 ppm1 7.813 ppm2 0.832 CV 1 OR { 4709} (( segid " " and resid 143 and name HN )) ( segid " " and resid 143 and name HD2%) ASSI { 4714} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.500 0.800 0.800 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.37784E-02 ppm1 7.828 ppm2 3.800 CV 1 ASSI { 4718} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.300 0.700 0.700 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.59064E-02 ppm1 7.830 ppm2 2.006 CV 1 ASSI { 4721} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.000 1.000 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.15501E-02 ppm1 7.491 ppm2 3.775 CV 1 ASSI { 4722} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HG2%) 2.700 0.900 0.900 peak 4722 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 7.493 ppm2 0.216 CV 1 ASSI { 4723} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HD1%) 3.000 1.100 1.100 peak 4723 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 7.500 ppm2 0.483 CV 1 ASSI { 4724} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HG12)) 2.800 1.000 1.000 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.18536E-02 ppm1 7.496 ppm2 1.230 CV 1 ASSI { 4725} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB )) 2.800 1.000 1.000 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 7.492 ppm2 0.893 CV 1 ASSI { 4728} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HG2%) 2.900 2.900 3.100 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.337 ppm2 0.218 CV 1 ASSI { 4730} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HB% ) 2.400 0.700 0.700 peak 4730 spectrum 1 weight 0.10000E+01 volume 0.45437E-02 ppm1 8.521 ppm2 1.195 CV 1 ASSI { 4734} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HB )) 2.600 0.900 0.900 peak 4734 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 8.423 ppm2 1.949 CV 1 ASSI { 4735} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB1 )) 2.700 0.900 0.900 peak 4735 spectrum 1 weight 0.10000E+01 volume 0.23413E-02 ppm1 7.057 ppm2 1.543 CV 1 ASSI { 4740} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 3.100 1.200 1.200 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.10302E-02 ppm1 8.296 ppm2 5.658 CV 1 ASSI { 4745} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG1 )) 2.900 1.100 1.100 peak 4745 spectrum 1 weight 0.10000E+01 volume 0.14209E-02 ppm1 7.926 ppm2 1.963 CV 1 ASSI { 4746} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HB1 )) 2.900 1.100 1.100 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 8.354 ppm2 2.286 CV 1 ASSI { 4750} (( segid " " and resid 158 and name HN )) ( segid " " and resid 117 and name HD2%) 3.000 3.000 3.000 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.11593E-02 ppm1 8.351 ppm2 0.685 CV 1 ASSI { 4753} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB2 )) 2.900 1.000 1.000 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.400 ppm2 1.049 CV 1 ASSI { 4754} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HD2%) 2.900 2.900 3.100 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 7.385 ppm2 0.407 CV 1 ASSI { 4755} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HB1 )) 3.000 1.100 1.100 peak 4755 spectrum 1 weight 0.10000E+01 volume 0.11303E-02 ppm1 7.376 ppm2 0.182 CV 1 ASSI { 4756} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HD1%) 3.000 1.100 1.100 peak 4756 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 7.370 ppm2 -0.119 CV 1 ASSI { 4764} (( segid " " and resid 163 and name HN )) (( segid " " and resid 163 and name HA )) 2.600 0.800 0.800 peak 4764 spectrum 1 weight 0.10000E+01 volume 0.27514E-02 ppm1 7.839 ppm2 4.139 CV 1 ASSI { 4769} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HB2 )) 2.500 0.800 0.800 peak 4769 spectrum 1 weight 0.10000E+01 volume 0.35458E-02 ppm1 7.457 ppm2 1.937 CV 1 ASSI { 4775} (( segid " " and resid 166 and name HN )) ( segid " " and resid 23 and name HD% ) 2.900 1.000 1.000 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.14855E-02 ppm1 8.553 ppm2 6.203 CV 1 ASSI { 4779} (( segid " " and resid 176 and name HN )) (( segid " " and resid 177 and name HG )) 2.900 1.000 1.000 peak 4779 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 7.188 ppm2 1.650 CV 1 ASSI { 4782} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 4782 spectrum 1 weight 0.10000E+01 volume 0.15145E-02 ppm1 8.641 ppm2 4.956 CV 1 ASSI { 4783} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG1%) 2.600 0.900 0.900 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 8.648 ppm2 0.861 CV 1 ASSI { 4784} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HG1%) 2.800 1.000 1.000 peak 4784 spectrum 1 weight 0.10000E+01 volume 0.18504E-02 ppm1 8.658 ppm2 0.629 CV 1 ASSI { 4785} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB )) 2.800 1.000 1.000 peak 4785 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 9.128 ppm2 4.225 CV 1 ASSI { 4787} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 4787 spectrum 1 weight 0.10000E+01 volume 0.10237E-02 ppm1 9.127 ppm2 3.844 CV 1 ASSI { 4788} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HG2%) 2.800 1.000 1.000 peak 4788 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 9.129 ppm2 1.069 CV 1 ASSI { 4790} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.600 0.800 0.800 peak 4790 spectrum 1 weight 0.10000E+01 volume 0.28096E-02 ppm1 8.850 ppm2 3.894 CV 1 OR { 4790} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 4791} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 8.851 ppm2 4.171 CV 1 ASSI { 4797} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.500 0.800 0.800 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 8.791 ppm2 5.425 CV 1 ASSI { 4798} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 8.787 ppm2 3.615 CV 1 OR { 4798} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 4800} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 0.800 0.800 peak 4800 spectrum 1 weight 0.10000E+01 volume 0.27417E-02 ppm1 8.931 ppm2 5.483 CV 1 ASSI { 4801} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 8.677 ppm2 5.043 CV 1 ASSI { 4807} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.24091E-02 ppm1 9.079 ppm2 4.827 CV 1 ASSI { 4811} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 56 and name HH2 )) 2.900 2.900 3.100 peak 4811 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 10.476 ppm2 6.982 CV 1 ASSI { 4821} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 4821 spectrum 1 weight 0.10000E+01 volume 0.21055E-02 ppm1 8.555 ppm2 4.428 CV 1 ASSI { 4824} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HG2%) 2.900 1.000 1.000 peak 4824 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 9.197 ppm2 0.473 CV 1 ASSI { 4825} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB )) 3.000 1.100 1.100 peak 4825 spectrum 1 weight 0.10000E+01 volume 0.11787E-02 ppm1 8.547 ppm2 1.378 CV 1 ASSI { 4831} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HG2%) 2.800 1.000 1.000 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.17148E-02 ppm1 9.195 ppm2 0.561 CV 1 ASSI { 4834} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HG2 )) 2.700 0.900 0.900 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.22089E-02 ppm1 8.251 ppm2 2.435 CV 1 ASSI { 4840} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 2.800 1.000 1.000 peak 4840 spectrum 1 weight 0.10000E+01 volume 0.16373E-02 ppm1 8.470 ppm2 1.060 CV 1 ASSI { 4841} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 4841 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 7.151 ppm2 3.505 CV 1 ASSI { 4842} (( segid " " and resid 118 and name HN )) ( segid " " and resid 117 and name HD1%) 2.900 1.100 1.100 peak 4842 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 8.469 ppm2 0.451 CV 1 ASSI { 4846} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) 2.400 0.700 0.700 peak 4846 spectrum 1 weight 0.10000E+01 volume 0.49248E-02 ppm1 8.783 ppm2 1.809 CV 1 ASSI { 4847} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 2.600 0.800 0.800 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.27514E-02 ppm1 8.782 ppm2 3.785 CV 1 ASSI { 4849} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.900 2.900 3.100 peak 4849 spectrum 1 weight 0.10000E+01 volume 0.14790E-02 ppm1 8.778 ppm2 2.640 CV 1 ASSI { 4855} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 4855 spectrum 1 weight 0.10000E+01 volume 0.11626E-02 ppm1 9.052 ppm2 7.124 CV 1 ASSI { 4857} (( segid " " and resid 137 and name HN )) ( segid " " and resid 137 and name HG2%) 3.000 1.100 1.100 peak 4857 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 8.678 ppm2 0.110 CV 1 ASSI { 4859} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.500 0.800 0.800 peak 4859 spectrum 1 weight 0.10000E+01 volume 0.32810E-02 ppm1 7.159 ppm2 3.906 CV 1 ASSI { 4865} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 3.100 1.200 1.200 peak 4865 spectrum 1 weight 0.10000E+01 volume 0.10237E-02 ppm1 8.999 ppm2 2.579 CV 1 ASSI { 4866} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HG2 )) 3.100 1.200 1.200 peak 4866 spectrum 1 weight 0.10000E+01 volume 0.93649E-03 ppm1 9.011 ppm2 2.172 CV 1 ASSI { 4874} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.000 1.100 1.100 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 7.986 ppm2 1.149 CV 1 ASSI { 4962} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HA )) 2.900 1.100 1.100 peak 4962 spectrum 1 weight 0.10000E+01 volume 0.14016E-02 ppm1 6.244 ppm2 3.672 CV 1 ASSI { 4963} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 4963 spectrum 1 weight 0.10000E+01 volume 0.39366E-02 ppm1 7.682 ppm2 3.968 CV 1 ASSI { 4964} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB )) 2.900 1.000 1.000 peak 4964 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 6.248 ppm2 1.700 CV 1 ASSI { 4967} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 4967 spectrum 1 weight 0.10000E+01 volume 0.20538E-02 ppm1 7.971 ppm2 4.202 CV 1 ASSI { 5047} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 5047 spectrum 1 weight 0.10000E+01 volume 0.17471E-02 ppm1 7.160 ppm2 1.924 CV 1 ASSI { 5082} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.200 1.300 1.300 peak 5082 spectrum 1 weight 0.10000E+01 volume 0.79764E-03 ppm1 9.299 ppm2 2.271 CV 1 ASSI { 5156} (( segid " " and resid 51 and name HN )) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 5156 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 9.070 ppm2 5.067 CV 1 ASSI { 5388} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB1 )) 2.700 0.900 0.900 peak 5388 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 8.249 ppm2 1.722 CV 1 ASSI { 5623} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB )) 2.800 1.000 1.000 peak 5623 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 8.057 ppm2 2.304 CV 1 ASSI { 5630} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.900 1.100 1.100 peak 5630 spectrum 1 weight 0.10000E+01 volume 0.12885E-02 ppm1 8.172 ppm2 4.840 CV 1 ASSI { 8719} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.900 2.900 3.100 peak 8719 spectrum 1 weight 0.10000E+01 volume 0.13434E-02 ppm1 8.429 ppm2 2.801 CV 1 ASSI { 8720} (( segid " " and resid 192 and name HN )) (( segid " " and resid 191 and name HA )) 1.900 0.500 0.500 peak 8720 spectrum 1 weight 0.10000E+01 volume 0.16011E-01 ppm1 7.620 ppm2 4.285 CV 1 ASSI { 8761} (( segid " " and resid 192 and name HN )) (( segid " " and resid 192 and name HA )) 2.500 0.800 0.800 peak 8761 spectrum 1 weight 0.10000E+01 volume 0.31066E-02 ppm1 7.618 ppm2 4.067 CV 1 ASSI { 8764} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 8764 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 8.466 ppm2 4.273 CV 1 ASSI { 8782} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.000 1.100 1.100 peak 8782 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 7.707 ppm2 5.060 CV 1 ASSI { 8783} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 2.500 0.800 0.800 peak 8783 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 7.927 ppm2 4.303 CV 1 ASSI { 8785} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.300 1.400 1.400 peak 8785 spectrum 1 weight 0.10000E+01 volume 0.66525E-03 ppm1 7.436 ppm2 3.262 CV 1 ASSI { 8798} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.100 1.200 1.200 peak 8798 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 7.993 ppm2 5.000 CV 1 ASSI { 8806} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 1.000 1.000 peak 8806 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 7.513 ppm2 3.386 CV 1 ASSI { 8821} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 97 and name HZ2 )) 3.100 1.200 1.200 peak 8821 spectrum 1 weight 0.10000E+01 volume 0.90099E-03 ppm1 11.588 ppm2 7.583 CV 1 ASSI { 8822} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 8822 spectrum 1 weight 0.10000E+01 volume 0.29678E-02 ppm1 9.001 ppm2 4.411 CV 1 ASSI { 8967} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HD21)) 3.000 1.100 1.100 peak 8967 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 7.874 ppm2 6.652 CV 1 ASSI { 9129} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HA )) 2.900 1.100 1.100 peak 9129 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 8.436 ppm2 3.675 CV 1 ASSI { 9133} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA1 )) 3.000 1.200 1.200 peak 9133 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 8.485 ppm2 3.613 CV 1 ASSI { 9134} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HG2%) 3.100 1.200 1.200 peak 9134 spectrum 1 weight 0.10000E+01 volume 0.92036E-03 ppm1 7.505 ppm2 -0.087 CV 1 ASSI { 9136} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 2.800 1.000 1.000 peak 9136 spectrum 1 weight 0.10000E+01 volume 0.16663E-02 ppm1 8.598 ppm2 5.138 CV 1 ASSI { 9139} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HB )) 2.600 0.900 0.900 peak 9139 spectrum 1 weight 0.10000E+01 volume 0.26512E-02 ppm1 8.460 ppm2 1.867 CV 1 ASSI { 9140} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 9140 spectrum 1 weight 0.10000E+01 volume 0.87192E-03 ppm1 8.482 ppm2 2.790 CV 1 OR { 9140} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 9141} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.700 2.700 3.300 peak 9141 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 7.294 ppm2 1.927 CV 1 ASSI { 9143} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HG2 )) 3.000 1.100 1.100 peak 9143 spectrum 1 weight 0.10000E+01 volume 0.12336E-02 ppm1 7.304 ppm2 1.297 CV 1 ASSI { 9144} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB )) 3.000 1.200 1.200 peak 9144 spectrum 1 weight 0.10000E+01 volume 0.10819E-02 ppm1 8.379 ppm2 1.565 CV 1 ASSI { 9146} (( segid " " and resid 8 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.200 1.300 1.300 peak 9146 spectrum 1 weight 0.10000E+01 volume 0.80088E-03 ppm1 8.177 ppm2 3.282 CV 1 ASSI { 9147} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 9147 spectrum 1 weight 0.10000E+01 volume 0.16954E-02 ppm1 9.003 ppm2 4.151 CV 1 ASSI { 9148} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HD% ) 3.100 1.200 1.200 peak 9148 spectrum 1 weight 0.10000E+01 volume 0.94943E-03 ppm1 7.657 ppm2 6.258 CV 1 ASSI { 9149} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.000 1.100 1.100 peak 9149 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 7.146 ppm2 2.403 CV 1 ASSI { 9151} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD1%) 2.800 0.900 0.900 peak 9151 spectrum 1 weight 0.10000E+01 volume 0.19473E-02 ppm1 7.334 ppm2 0.602 CV 1 ASSI { 9163} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 3.000 1.100 1.100 peak 9163 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 8.469 ppm2 2.558 CV 1 ASSI { 9165} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.800 1.000 1.000 peak 9165 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 8.274 ppm2 1.732 CV 1 ASSI { 9168} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG1 )) 2.900 1.100 1.100 peak 9168 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 8.775 ppm2 1.405 CV 1 OR { 9168} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG2 )) ASSI { 9170} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.800 1.000 1.000 peak 9170 spectrum 1 weight 0.10000E+01 volume 0.17632E-02 ppm1 7.985 ppm2 4.323 CV 1 ASSI { 9175} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) 2.900 1.100 1.100 peak 9175 spectrum 1 weight 0.10000E+01 volume 0.13596E-02 ppm1 7.698 ppm2 3.739 CV 1 ASSI { 9177} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HA )) 2.800 1.000 1.000 peak 9177 spectrum 1 weight 0.10000E+01 volume 0.17116E-02 ppm1 8.181 ppm2 4.149 CV 1 ASSI { 9189} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.800 1.000 1.000 peak 9189 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 6.346 ppm2 3.987 CV 1 ASSI { 9192} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 9192 spectrum 1 weight 0.10000E+01 volume 0.23187E-02 ppm1 7.512 ppm2 4.032 CV 1 ASSI { 9195} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB )) 3.000 1.100 1.100 peak 9195 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 8.318 ppm2 1.392 CV 1 ASSI { 9196} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG2 )) 3.000 1.100 1.100 peak 9196 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 7.494 ppm2 2.430 CV 1 OR { 9196} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 9197} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 9197 spectrum 1 weight 0.10000E+01 volume 0.91067E-03 ppm1 7.512 ppm2 3.698 CV 1 ASSI { 9200} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.700 0.900 0.900 peak 9200 spectrum 1 weight 0.10000E+01 volume 0.22573E-02 ppm1 7.063 ppm2 3.832 CV 1 ASSI { 9238} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB1 )) 2.900 2.900 3.100 peak 9238 spectrum 1 weight 0.10000E+01 volume 0.15307E-02 ppm1 7.340 ppm2 2.177 CV 1 ASSI { 9242} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB2 )) 3.000 1.100 1.100 peak 9242 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 7.310 ppm2 2.548 CV 1 ASSI { 9250} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.000 peak 9250 spectrum 1 weight 0.10000E+01 volume 0.19118E-02 ppm1 8.098 ppm2 4.497 CV 1 ASSI { 9253} (( segid " " and resid 42 and name HN )) ( segid " " and resid 55 and name HD2%) 2.800 1.000 1.000 peak 9253 spectrum 1 weight 0.10000E+01 volume 0.17664E-02 ppm1 8.792 ppm2 0.780 CV 1 ASSI { 9259} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 9259 spectrum 1 weight 0.10000E+01 volume 0.19021E-02 ppm1 8.432 ppm2 9.184 CV 1 ASSI { 9266} (( segid " " and resid 53 and name HN )) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 9266 spectrum 1 weight 0.10000E+01 volume 0.13305E-02 ppm1 9.135 ppm2 5.466 CV 1 ASSI { 9268} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 9268 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 9.126 ppm2 4.665 CV 1 ASSI { 9276} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 2.700 0.900 0.900 peak 9276 spectrum 1 weight 0.10000E+01 volume 0.20507E-02 ppm1 7.454 ppm2 1.495 CV 1 ASSI { 9277} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB )) 2.700 0.900 0.900 peak 9277 spectrum 1 weight 0.10000E+01 volume 0.20958E-02 ppm1 7.053 ppm2 2.010 CV 1 ASSI { 9280} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.900 1.100 1.100 peak 9280 spectrum 1 weight 0.10000E+01 volume 0.14080E-02 ppm1 6.887 ppm2 3.406 CV 1 ASSI { 9281} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 9281 spectrum 1 weight 0.10000E+01 volume 0.18956E-02 ppm1 6.891 ppm2 4.192 CV 1 ASSI { 9283} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 2.600 0.800 0.800 peak 9283 spectrum 1 weight 0.10000E+01 volume 0.27223E-02 ppm1 8.762 ppm2 2.981 CV 1 ASSI { 9284} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 9284 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 7.080 ppm2 3.433 CV 1 ASSI { 9285} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 9285 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 7.073 ppm2 3.803 CV 1 ASSI { 9287} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.900 1.000 1.000 peak 9287 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 8.088 ppm2 3.912 CV 1 ASSI { 9288} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 9288 spectrum 1 weight 0.10000E+01 volume 0.19796E-02 ppm1 8.525 ppm2 5.118 CV 1 ASSI { 9289} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.200 1.200 1.200 peak 9289 spectrum 1 weight 0.10000E+01 volume 0.84609E-03 ppm1 8.856 ppm2 2.379 CV 1 ASSI { 9292} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 9292 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 8.851 ppm2 4.418 CV 1 ASSI { 9301} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 9301 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 8.756 ppm2 4.190 CV 1 ASSI { 9302} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.900 1.100 1.100 peak 9302 spectrum 1 weight 0.10000E+01 volume 0.13111E-02 ppm1 7.874 ppm2 4.809 CV 1 ASSI { 9308} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 9308 spectrum 1 weight 0.10000E+01 volume 0.93005E-03 ppm1 7.934 ppm2 3.663 CV 1 ASSI { 9309} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HG1%) 2.900 1.100 1.100 peak 9309 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 7.939 ppm2 -0.257 CV 1 ASSI { 9312} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.100 1.200 1.200 peak 9312 spectrum 1 weight 0.10000E+01 volume 0.95586E-03 ppm1 8.546 ppm2 2.315 CV 1 ASSI { 9313} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 2.800 1.000 1.000 peak 9313 spectrum 1 weight 0.10000E+01 volume 0.15921E-02 ppm1 8.752 ppm2 2.729 CV 1 ASSI { 9314} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.900 1.000 1.000 peak 9314 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 8.758 ppm2 4.889 CV 1 ASSI { 9315} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HD1 )) 3.000 1.100 1.100 peak 9315 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 8.754 ppm2 3.231 CV 1 ASSI { 9316} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA1 )) 2.900 1.000 1.000 peak 9316 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 8.091 ppm2 3.054 CV 1 ASSI { 9317} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG1 )) 2.700 0.900 0.900 peak 9317 spectrum 1 weight 0.10000E+01 volume 0.21314E-02 ppm1 8.097 ppm2 2.193 CV 1 OR { 9317} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG2 )) ASSI { 9319} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.900 1.100 1.100 peak 9319 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 8.090 ppm2 1.652 CV 1 ASSI { 9322} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 9322 spectrum 1 weight 0.10000E+01 volume 0.78796E-03 ppm1 8.105 ppm2 3.553 CV 1 ASSI { 9323} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.300 0.700 0.700 peak 9323 spectrum 1 weight 0.10000E+01 volume 0.54156E-02 ppm1 7.766 ppm2 4.819 CV 1 ASSI { 9335} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.100 1.200 1.200 peak 9335 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 9.140 ppm2 2.052 CV 1 ASSI { 9338} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 2.500 0.800 0.800 peak 9338 spectrum 1 weight 0.10000E+01 volume 0.35394E-02 ppm1 7.698 ppm2 1.899 CV 1 ASSI { 9344} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 9344 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 8.520 ppm2 4.233 CV 1 ASSI { 9354} (( segid " " and resid 160 and name HN )) ( segid " " and resid 159 and name HB% ) 3.100 1.200 1.200 peak 9354 spectrum 1 weight 0.10000E+01 volume 0.91390E-03 ppm1 7.390 ppm2 1.685 CV 1 ASSI { 9361} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HA )) 2.700 0.900 0.900 peak 9361 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 8.542 ppm2 4.064 CV 1 ASSI { 9362} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) 2.700 0.900 0.900 peak 9362 spectrum 1 weight 0.10000E+01 volume 0.21959E-02 ppm1 8.546 ppm2 3.774 CV 1 ASSI { 9363} (( segid " " and resid 166 and name HN )) ( segid " " and resid 165 and name HD2%) 2.700 2.700 3.300 peak 9363 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 8.546 ppm2 1.045 CV 1 ASSI { 9365} (( segid " " and resid 165 and name HN )) ( segid " " and resid 23 and name HD% ) 3.100 3.100 2.900 peak 9365 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 7.460 ppm2 6.204 CV 1 ASSI { 9371} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HA )) 3.000 1.100 1.100 peak 9371 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 7.707 ppm2 4.066 CV 1 ASSI { 9373} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HG2%) 2.800 1.000 1.000 peak 9373 spectrum 1 weight 0.10000E+01 volume 0.16437E-02 ppm1 6.246 ppm2 0.729 CV 1 ASSI { 9375} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HG1%) 3.000 1.100 1.100 peak 9375 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 6.247 ppm2 -0.290 CV 1 ASSI { 9376} (( segid " " and resid 169 and name HN )) ( segid " " and resid 169 and name HD% ) 2.800 1.000 1.000 peak 9376 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 6.248 ppm2 6.404 CV 1 ASSI { 9382} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HB2 )) 2.900 1.100 1.100 peak 9382 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 7.923 ppm2 1.993 CV 1 ASSI { 9384} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HB )) 2.800 1.000 1.000 peak 9384 spectrum 1 weight 0.10000E+01 volume 0.16243E-02 ppm1 7.602 ppm2 1.951 CV 1 ASSI { 9387} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HA )) 3.100 1.200 1.200 peak 9387 spectrum 1 weight 0.10000E+01 volume 0.98491E-03 ppm1 7.594 ppm2 3.384 CV 1 ASSI { 9442} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 3.100 1.200 1.200 peak 9442 spectrum 1 weight 0.10000E+01 volume 0.93005E-03 ppm1 9.004 ppm2 4.824 CV 1 ASSI { 9445} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 3.200 1.300 1.300 peak 9445 spectrum 1 weight 0.10000E+01 volume 0.82671E-03 ppm1 8.983 ppm2 4.272 CV 1 ASSI {10619} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.200 1.300 1.300 peak 10619 spectrum 1 weight 0.10000E+01 volume 0.76536E-03 ppm1 9.057 ppm2 3.283 CV 1 ASSI {10625} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HD21)) 2.000 0.500 0.500 peak 10625 spectrum 1 weight 0.10000E+01 volume 0.12643E-01 ppm1 7.594 ppm2 6.905 CV 1 ASSI {10715} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 10715 spectrum 1 weight 0.10000E+01 volume 0.88161E-03 ppm1 7.603 ppm2 4.895 CV 1 ASSI {10716} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HB1 )) 2.700 2.700 3.300 peak 10716 spectrum 1 weight 0.10000E+01 volume 0.22573E-02 ppm1 7.596 ppm2 2.598 CV 1 ASSI {10717} (( segid " " and resid 107 and name HD22)) (( segid " " and resid 107 and name HB2 )) 2.700 0.900 0.900 peak 10717 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 7.597 ppm2 2.876 CV 1 ASSI {10721} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB2 )) 2.500 0.800 0.800 peak 10721 spectrum 1 weight 0.10000E+01 volume 0.34101E-02 ppm1 6.928 ppm2 2.901 CV 1 ASSI {10723} (( segid " " and resid 107 and name HD21)) (( segid " " and resid 107 and name HB1 )) 2.500 2.500 3.500 peak 10723 spectrum 1 weight 0.10000E+01 volume 0.31002E-02 ppm1 6.929 ppm2 2.591 CV 1 ASSI {12056} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) 3.100 1.200 1.200 peak 12056 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 8.251 ppm2 4.240 CV 1 ASSI {12066} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA1 )) 3.100 1.200 1.200 peak 12066 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 9.194 ppm2 2.609 CV 1 ASSI {12072} (( segid " " and resid 92 and name HD21)) (( segid " " and resid 92 and name HB1 )) 2.900 1.100 1.100 peak 12072 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 6.658 ppm2 2.847 CV 1 ASSI {12074} (( segid " " and resid 92 and name HD21)) (( segid " " and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 12074 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 6.632 ppm2 3.205 CV 1 ASSI {12076} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 92 and name HB1 )) 3.200 1.200 1.200 peak 12076 spectrum 1 weight 0.10000E+01 volume 0.86224E-03 ppm1 10.250 ppm2 2.813 CV 1 ASSI {12077} (( segid " " and resid 92 and name HD22)) (( segid " " and resid 92 and name HB2 )) 3.100 1.200 1.200 peak 12077 spectrum 1 weight 0.10000E+01 volume 0.92359E-03 ppm1 10.283 ppm2 3.237 CV 1 ASSI {12081} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HD21)) 1.700 0.300 0.500 peak 12081 spectrum 1 weight 0.10000E+01 volume 0.40063E-01 ppm1 7.389 ppm2 6.686 CV 1 ASSI {12083} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 52 and name HD21)) 1.800 0.400 0.400 peak 12083 spectrum 1 weight 0.10000E+01 volume 0.24072E-01 ppm1 7.328 ppm2 6.546 CV 1 ASSI {12084} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HE21)) 2.200 0.600 0.600 peak 12084 spectrum 1 weight 0.10000E+01 volume 0.77731E-02 ppm1 7.390 ppm2 6.530 CV 1 ASSI {12088} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HG1 )) 2.800 1.000 1.000 peak 12088 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 7.398 ppm2 2.187 CV 1 OR {12088} (( segid " " and resid 141 and name HE22)) (( segid " " and resid 141 and name HG2 )) ASSI {12089} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 43 and name HD21)) 1.800 0.400 0.400 peak 12089 spectrum 1 weight 0.10000E+01 volume 0.28983E-01 ppm1 7.164 ppm2 6.424 CV 1 ASSI {12091} (( segid " " and resid 43 and name HD22)) (( segid " " and resid 43 and name HA )) 2.900 1.000 1.000 peak 12091 spectrum 1 weight 0.10000E+01 volume 0.14628E-02 ppm1 7.162 ppm2 5.478 CV 1 ASSI {12096} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 2 and name HE21)) 1.500 0.300 0.700 peak 12096 spectrum 1 weight 0.10000E+01 volume 0.69007E-01 ppm1 7.554 ppm2 6.709 CV 1 ASSI {12098} (( segid " " and resid 2 and name HE22)) (( segid " " and resid 2 and name HA )) 2.900 1.100 1.100 peak 12098 spectrum 1 weight 0.10000E+01 volume 0.12885E-02 ppm1 7.556 ppm2 4.321 CV 1 ASSI {12099} (( segid " " and resid 2 and name HE21)) (( segid " " and resid 2 and name HA )) 3.000 1.100 1.100 peak 12099 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 6.731 ppm2 4.315 CV 1 ASSI {12103} (( segid " " and resid 74 and name HE21)) (( segid " " and resid 74 and name HE22)) 1.400 0.200 0.800 peak 12103 spectrum 1 weight 0.10000E+01 volume 0.12609E+00 ppm1 6.759 ppm2 7.436 CV 1 ASSI {12110} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 162 and name HE21)) 2.300 0.600 0.600 peak 12110 spectrum 1 weight 0.10000E+01 volume 0.61099E-02 ppm1 7.184 ppm2 6.570 CV 1 ASSI {12113} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 162 and name HG1 )) 2.700 0.900 0.900 peak 12113 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 7.185 ppm2 2.030 CV 1 ASSI {12114} (( segid " " and resid 162 and name HE22)) (( segid " " and resid 162 and name HG2 )) 2.700 2.700 3.300 peak 12114 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 7.188 ppm2 2.100 CV 1 ASSI {12115} (( segid " " and resid 162 and name HE22)) ( segid " " and resid 165 and name HD1%) 2.700 0.900 0.900 peak 12115 spectrum 1 weight 0.10000E+01 volume 0.20441E-02 ppm1 7.180 ppm2 0.991 CV 1 ASSI {12122} (( segid " " and resid 74 and name HE22)) (( segid " " and resid 74 and name HA )) 2.900 1.100 1.100 peak 12122 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 7.467 ppm2 3.674 CV 1 ASSI {12123} (( segid " " and resid 74 and name HE21)) (( segid " " and resid 74 and name HA )) 3.000 1.100 1.100 peak 12123 spectrum 1 weight 0.10000E+01 volume 0.12078E-02 ppm1 6.752 ppm2 3.695 CV 1 ASSI {12126} (( segid " " and resid 74 and name HE21)) ( segid " " and resid 1162 and name HD2%) 2.900 2.900 3.100 peak 12126 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 6.757 ppm2 0.600 CV 1 ASSI {12129} (( segid " " and resid 74 and name HE22)) ( segid " " and resid 1162 and name HD2%) 2.900 1.100 1.100 peak 12129 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 7.470 ppm2 0.610 CV 1 ASSI {12132} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) 2.900 1.100 1.100 peak 12132 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 6.227 ppm2 2.572 CV 1 ASSI {12140} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 3.000 1.100 1.100 peak 12140 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 7.925 ppm2 5.131 CV 1 ASSI {12141} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 2.700 0.900 0.900 peak 12141 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 9.042 ppm2 4.263 CV 1 ASSI {12156} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HA )) 3.100 1.200 1.200 peak 12156 spectrum 1 weight 0.10000E+01 volume 0.10011E-02 ppm1 8.141 ppm2 3.388 CV 1 ASSI {12158} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.300 0.700 0.700 peak 12158 spectrum 1 weight 0.10000E+01 volume 0.56901E-02 ppm1 8.004 ppm2 2.045 CV 1 ASSI {12160} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 3.000 1.100 1.100 peak 12160 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 8.464 ppm2 3.420 CV 1 ASSI {12168} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA2 )) 3.200 1.300 1.300 peak 12168 spectrum 1 weight 0.10000E+01 volume 0.75889E-03 ppm1 9.189 ppm2 3.580 CV 1 ASSI {12172} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HA )) 2.900 2.900 3.100 peak 12172 spectrum 1 weight 0.10000E+01 volume 0.14403E-02 ppm1 7.924 ppm2 4.308 CV 1 ASSI {12173} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG1 )) 2.900 1.000 1.000 peak 12173 spectrum 1 weight 0.10000E+01 volume 0.15210E-02 ppm1 7.934 ppm2 0.796 CV 1 ASSI {12174} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) 2.900 1.000 1.000 peak 12174 spectrum 1 weight 0.10000E+01 volume 0.14467E-02 ppm1 7.512 ppm2 1.503 CV 1 ASSI {12179} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 12179 spectrum 1 weight 0.10000E+01 volume 0.94301E-03 ppm1 7.976 ppm2 3.668 CV 1 ASSI {12180} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG1 )) 3.200 1.300 1.300 peak 12180 spectrum 1 weight 0.10000E+01 volume 0.74921E-03 ppm1 7.969 ppm2 -0.278 CV 1 ASSI {12182} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.500 0.800 0.800 peak 12182 spectrum 1 weight 0.10000E+01 volume 0.37880E-02 ppm1 7.796 ppm2 4.065 CV 1 ASSI {12184} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 11 and name HB1 )) 3.200 1.200 1.200 peak 12184 spectrum 1 weight 0.10000E+01 volume 0.84931E-03 ppm1 11.589 ppm2 2.798 CV 1 OR {12184} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 11 and name HB2 )) ASSI {12185} (( segid " " and resid 97 and name HE1 )) (( segid " " and resid 96 and name HD2 )) 3.100 3.100 2.900 peak 12185 spectrum 1 weight 0.10000E+01 volume 0.91390E-03 ppm1 11.589 ppm2 0.851 CV 1 ASSI {12190} (( segid " " and resid 82 and name HN )) (( segid " " and resid 113 and name HB )) 3.100 3.100 2.900 peak 12190 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 8.885 ppm2 2.017 CV 1 ASSI {12191} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 3.200 1.300 1.300 peak 12191 spectrum 1 weight 0.10000E+01 volume 0.73951E-03 ppm1 8.884 ppm2 4.632 CV 1 ASSI {12197} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) 2.700 0.900 0.900 peak 12197 spectrum 1 weight 0.10000E+01 volume 0.21378E-02 ppm1 8.516 ppm2 1.573 CV 1 ASSI {12199} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HG2%) 2.500 0.800 0.800 peak 12199 spectrum 1 weight 0.10000E+01 volume 0.30905E-02 ppm1 8.495 ppm2 0.758 CV 1 ASSI {12206} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HG2%) 2.800 2.800 3.200 peak 12206 spectrum 1 weight 0.10000E+01 volume 0.18956E-02 ppm1 7.376 ppm2 0.794 CV 1 ASSI {12207} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 12207 spectrum 1 weight 0.10000E+01 volume 0.87192E-03 ppm1 7.387 ppm2 4.441 CV 1 ASSI {12210} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.900 1.000 1.000 peak 12210 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 7.075 ppm2 3.154 CV 1 ASSI {12213} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.100 1.200 1.200 peak 12213 spectrum 1 weight 0.10000E+01 volume 0.98175E-03 ppm1 7.884 ppm2 1.765 CV 1 ASSI {12214} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 12214 spectrum 1 weight 0.10000E+01 volume 0.79764E-03 ppm1 7.878 ppm2 1.496 CV 1 ASSI {12219} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 5 and name HD2 )) 3.100 1.200 1.200 peak 12219 spectrum 1 weight 0.10000E+01 volume 0.96238E-03 ppm1 10.465 ppm2 1.586 CV 1 OR {12219} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 5 and name HD1 )) ASSI {12221} (( segid " " and resid 51 and name HN )) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 12221 spectrum 1 weight 0.10000E+01 volume 0.72983E-03 ppm1 9.086 ppm2 5.530 CV 1 ASSI {12223} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HG2 )) 3.000 3.000 3.000 peak 12223 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 8.428 ppm2 1.293 CV 1 OR {12223} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HG1 )) ASSI {12225} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.200 1.300 1.300 peak 12225 spectrum 1 weight 0.10000E+01 volume 0.82026E-03 ppm1 9.199 ppm2 2.577 CV 1 ASSI {12226} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.100 1.200 1.200 peak 12226 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 9.216 ppm2 2.779 CV 1 ASSI {12230} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.200 0.600 0.600 peak 12230 spectrum 1 weight 0.10000E+01 volume 0.68591E-02 ppm1 8.319 ppm2 4.426 CV 1 ASSI {12231} (( segid " " and resid 28 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.000 1.100 1.100 peak 12231 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 8.319 ppm2 3.956 CV 1 ASSI {12232} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 12232 spectrum 1 weight 0.10000E+01 volume 0.98175E-03 ppm1 7.647 ppm2 3.564 CV 1 ASSI {12243} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA2 )) 3.000 1.100 1.100 peak 12243 spectrum 1 weight 0.10000E+01 volume 0.11464E-02 ppm1 8.491 ppm2 4.365 CV 1 ASSI {12244} (( segid " " and resid 11 and name HN )) (( segid " " and resid 97 and name HD1 )) 3.200 3.200 2.800 peak 12244 spectrum 1 weight 0.10000E+01 volume 0.75566E-03 ppm1 8.113 ppm2 6.704 CV 1 ASSI {12247} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 12247 spectrum 1 weight 0.10000E+01 volume 0.92682E-03 ppm1 9.287 ppm2 2.915 CV 1 ASSI {12249} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 12249 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 8.385 ppm2 4.370 CV 1 ASSI {12255} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HB1 )) 2.300 0.700 0.700 peak 12255 spectrum 1 weight 0.10000E+01 volume 0.58612E-02 ppm1 7.388 ppm2 2.789 CV 1 ASSI {12256} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 12256 spectrum 1 weight 0.10000E+01 volume 0.44145E-02 ppm1 7.388 ppm2 3.041 CV 1 ASSI {12257} (( segid " " and resid 26 and name HD21)) (( segid " " and resid 26 and name HA )) 2.800 2.800 3.200 peak 12257 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 6.708 ppm2 4.423 CV 1 ASSI {12258} (( segid " " and resid 26 and name HD22)) (( segid " " and resid 26 and name HA )) 2.800 2.800 3.200 peak 12258 spectrum 1 weight 0.10000E+01 volume 0.18569E-02 ppm1 7.388 ppm2 4.431 CV 1 ASSI {12259} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG )) 3.100 1.200 1.200 peak 12259 spectrum 1 weight 0.10000E+01 volume 0.99460E-03 ppm1 8.850 ppm2 5.089 CV 1 ASSI {12264} (( segid " " and resid 191 and name HN )) (( segid " " and resid 191 and name HA )) 2.000 2.000 4.000 peak 12264 spectrum 1 weight 0.10000E+01 volume 0.11510E-01 ppm1 8.145 ppm2 4.263 CV 1 ASSI {12280} (( segid " " and resid 52 and name HD22)) (( segid " " and resid 1 and name HG1 )) 3.100 3.100 2.900 peak 12280 spectrum 1 weight 0.10000E+01 volume 0.86869E-03 ppm1 7.326 ppm2 2.310 CV 1 ASSI {12282} (( segid " " and resid 52 and name HD22)) ( segid " " and resid 1 and name HE% ) 2.800 1.000 1.000 peak 12282 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 7.327 ppm2 1.865 CV 1 ASSI {12287} (( segid " " and resid 52 and name HD21)) ( segid " " and resid 1 and name HE% ) 2.800 1.000 1.000 peak 12287 spectrum 1 weight 0.10000E+01 volume 0.18375E-02 ppm1 6.570 ppm2 1.873 CV 1 ASSI {12290} (( segid " " and resid 52 and name HD21)) ( segid " " and resid 3 and name HB% ) 2.900 1.000 1.000 peak 12290 spectrum 1 weight 0.10000E+01 volume 0.14855E-02 ppm1 6.575 ppm2 1.359 CV 1 ASSI {12292} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 12292 spectrum 1 weight 0.10000E+01 volume 0.74921E-03 ppm1 6.442 ppm2 5.496 CV 1 ASSI {12295} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HB2 )) 2.600 0.800 0.800 peak 12295 spectrum 1 weight 0.10000E+01 volume 0.29548E-02 ppm1 6.447 ppm2 2.480 CV 1 ASSI {12296} (( segid " " and resid 43 and name HD21)) (( segid " " and resid 43 and name HB1 )) 2.600 0.900 0.900 peak 12296 spectrum 1 weight 0.10000E+01 volume 0.25383E-02 ppm1 6.445 ppm2 2.267 CV 1 ASSI {12309} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HG1 )) 2.700 0.900 0.900 peak 12309 spectrum 1 weight 0.10000E+01 volume 0.20668E-02 ppm1 6.533 ppm2 2.168 CV 1 OR {12309} (( segid " " and resid 141 and name HE21)) (( segid " " and resid 141 and name HG2 )) ASSI {12313} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 5 and name HG1 )) 2.900 1.100 1.100 peak 12313 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 10.472 ppm2 0.630 CV 1 ASSI {12314} (( segid " " and resid 56 and name HE1 )) (( segid " " and resid 5 and name HA )) 3.200 1.300 1.300 peak 12314 spectrum 1 weight 0.10000E+01 volume 0.81702E-03 ppm1 10.479 ppm2 5.250 CV 1 ASSI {12316} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 3.200 1.300 1.300 peak 12316 spectrum 1 weight 0.10000E+01 volume 0.83317E-03 ppm1 8.046 ppm2 5.665 CV 1 ASSI { 334} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1188 and name HN )) 2.800 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.18400E-02 ppm1 4.102 ppm2 8.004 CV 1 ASSI { 366} ( segid " " and resid 1139 and name HD2%) (( segid " " and resid 1139 and name HN )) 2.700 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.21371E-02 ppm1 0.846 ppm2 8.691 CV 1 ASSI { 403} (( segid " " and resid 1168 and name HG1 )) (( segid " " and resid 1168 and name HN )) 2.500 0.800 0.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.36076E-02 ppm1 2.344 ppm2 8.003 CV 1 ASSI { 1013} (( segid " " and resid 1160 and name HD1 )) (( segid " " and resid 1160 and name HA )) 2.600 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.30462E-02 ppm1 3.181 ppm2 3.947 CV 1 ASSI { 1274} (( segid " " and resid 1143 and name HG1 )) (( segid " " and resid 1139 and name HB1 )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.17133E-02 ppm1 2.319 ppm2 1.364 CV 1 ASSI { 1535} ( segid " " and resid 1157 and name HG2%) (( segid " " and resid 1157 and name HA )) 2.900 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.14669E-02 ppm1 1.144 ppm2 3.909 CV 1 ASSI { 1572} (( segid " " and resid 1176 and name HB1 )) (( segid " " and resid 1176 and name HN )) 3.100 1.200 1.200 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.99246E-03 ppm1 1.730 ppm2 7.843 CV 1 ASSI { 1626} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1189 and name HN )) 3.100 1.200 1.200 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 4.102 ppm2 7.640 CV 1 ASSI { 1639} (( segid " " and resid 1168 and name HG1 )) (( segid " " and resid 1169 and name HN )) 2.800 1.000 1.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 2.344 ppm2 8.237 CV 1 ASSI { 1658} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1153 and name HN )) 3.300 1.400 1.400 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.69182E-03 ppm1 3.932 ppm2 7.811 CV 1 ASSI { 1710} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1132 and name HN )) 3.100 1.200 1.200 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.96349E-03 ppm1 4.159 ppm2 8.653 CV 1 ASSI { 1754} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1132 and name HB2 )) 2.900 1.100 1.100 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 4.170 ppm2 2.094 CV 1 ASSI { 1762} (( segid " " and resid 1129 and name HA )) (( segid " " and resid 1132 and name HB1 )) 3.000 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 4.166 ppm2 1.912 CV 1 ASSI { 1767} (( segid " " and resid 1164 and name HB1 )) (( segid " " and resid 1164 and name HA )) 2.700 0.900 0.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 1.578 ppm2 4.071 CV 1 ASSI { 1770} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1168 and name HE22)) 3.000 1.200 1.200 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 2.411 ppm2 7.396 CV 1 ASSI { 1846} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1137 and name HA )) 3.000 1.200 1.200 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 1.487 ppm2 3.633 CV 1 ASSI { 1892} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1147 and name HB2 )) 2.900 1.100 1.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.14235E-02 ppm1 4.418 ppm2 2.954 CV 1 ASSI { 1896} (( segid " " and resid 1164 and name HA )) (( segid " " and resid 1167 and name HN )) 3.000 1.200 1.200 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 4.104 ppm2 8.635 CV 1 ASSI { 1909} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1161 and name HA )) 2.800 1.000 1.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 1.771 ppm2 3.938 CV 1 ASSI { 1941} (( segid " " and resid 1140 and name HB2 )) (( segid " " and resid 1140 and name HA )) 3.000 1.100 1.100 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 2.059 ppm2 4.134 CV 1 ASSI { 1946} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1177 and name HA )) 3.000 1.200 1.200 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 0.726 ppm2 3.339 CV 1 ASSI { 1971} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1149 and name HN )) 2.800 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.17604E-02 ppm1 0.791 ppm2 8.310 CV 1 ASSI { 1988} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1169 and name HB2 )) 3.000 3.000 3.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 4.113 ppm2 2.195 CV 1 ASSI { 2000} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1169 and name HG1 )) 3.100 1.200 1.200 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.99609E-03 ppm1 4.122 ppm2 2.401 CV 1 ASSI { 2003} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1150 and name HN )) 3.100 1.200 1.200 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.94534E-03 ppm1 4.416 ppm2 7.712 CV 1 ASSI { 2008} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1150 and name HG1 )) 3.000 1.100 1.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 4.416 ppm2 2.344 CV 1 ASSI { 2011} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1150 and name HB1 )) 2.700 0.900 0.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.24993E-02 ppm1 4.413 ppm2 2.127 CV 1 ASSI { 2022} ( segid " " and resid 1148 and name HE% ) ( segid " " and resid 1166 and name HB% ) 2.900 1.100 1.100 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.14235E-02 ppm1 1.940 ppm2 1.570 CV 1 ASSI { 2059} (( segid " " and resid 1158 and name HG2 )) (( segid " " and resid 1158 and name HE1 )) 2.400 0.700 0.700 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.48427E-02 ppm1 1.338 ppm2 2.905 CV 1 OR { 2059} (( segid " " and resid 1158 and name HG2 )) (( segid " " and resid 1158 and name HE2 )) ASSI { 2067} (( segid " " and resid 1158 and name HG1 )) (( segid " " and resid 1158 and name HD1 )) 2.200 0.600 0.600 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.70088E-02 ppm1 1.253 ppm2 1.551 CV 1 OR { 2067} (( segid " " and resid 1158 and name HG1 )) (( segid " " and resid 1158 and name HD2 )) ASSI { 2092} (( segid " " and resid 1176 and name HG1 )) (( segid " " and resid 1176 and name HN )) 3.100 1.200 1.200 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.99609E-03 ppm1 1.318 ppm2 7.805 CV 1 ASSI { 2095} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1138 and name HG1 )) 2.900 1.000 1.000 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 0.730 ppm2 2.141 CV 1 ASSI { 2115} (( segid " " and resid 1162 and name HB2 )) (( segid " " and resid 1162 and name HB1 )) 3.200 3.200 2.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.84757E-03 ppm1 1.127 ppm2 0.835 CV 1 ASSI { 2179} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 1162 and name HB2 )) 2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 0.624 ppm2 1.156 CV 1 ASSI { 2201} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 1162 and name HG )) 2.300 0.700 0.700 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.57519E-02 ppm1 0.626 ppm2 1.358 CV 1 ASSI { 2208} ( segid " " and resid 1162 and name HD1%) ( segid " " and resid 1152 and name HD% ) 3.200 3.200 2.800 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 0.630 ppm2 7.009 CV 1 ASSI { 2229} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1179 and name HB )) 2.000 0.500 0.500 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.13065E-01 ppm1 0.846 ppm2 1.956 CV 1 ASSI { 2244} ( segid " " and resid 1162 and name HD1%) ( segid " " and resid 1152 and name HE% ) 3.300 1.400 1.400 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.65560E-03 ppm1 0.623 ppm2 6.663 CV 1 ASSI { 2266} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1193 and name HN )) 2.600 0.900 0.900 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.25536E-02 ppm1 0.864 ppm2 8.003 CV 1 ASSI { 2271} (( segid " " and resid 1164 and name HB1 )) (( segid " " and resid 1161 and name HA )) 2.900 1.000 1.000 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 1.580 ppm2 3.944 CV 1 ASSI { 2275} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1161 and name HE2 )) 3.100 3.100 2.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 0.859 ppm2 2.910 CV 1 OR { 2275} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1161 and name HE1 )) ASSI { 2470} (( segid " " and resid 1123 and name HB )) ( segid " " and resid 1120 and name HD1%) 3.100 1.200 1.200 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 4.195 ppm2 0.820 CV 1 ASSI { 2476} (( segid " " and resid 1165 and name HB )) ( segid " " and resid 1165 and name HG2%) 2.100 0.500 0.500 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.10363E-01 ppm1 4.228 ppm2 1.215 CV 1 ASSI { 2481} (( segid " " and resid 1167 and name HB2 )) (( segid " " and resid 1168 and name HN )) 3.100 1.200 1.200 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 2.322 ppm2 8.001 CV 1 ASSI { 2526} (( segid " " and resid 1174 and name HD1 )) (( segid " " and resid 1174 and name HB2 )) 2.500 0.800 0.800 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.34917E-02 ppm1 1.550 ppm2 1.901 CV 1 OR { 2526} (( segid " " and resid 1174 and name HD2 )) (( segid " " and resid 1174 and name HB2 )) OR { 2526} (( segid " " and resid 1174 and name HD1 )) (( segid " " and resid 1174 and name HB1 )) ASSI { 2536} (( segid " " and resid 1143 and name HG2 )) (( segid " " and resid 1139 and name HB1 )) 3.100 3.100 2.900 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.99972E-03 ppm1 2.433 ppm2 1.358 CV 1 ASSI { 2556} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1194 and name HB1 )) 2.900 2.900 3.100 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 4.481 ppm2 1.928 CV 1 ASSI { 2608} (( segid " " and resid 1194 and name HG1 )) (( segid " " and resid 1194 and name HA )) 2.800 0.900 0.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 2.172 ppm2 4.157 CV 1 ASSI { 2617} (( segid " " and resid 1194 and name HG2 )) (( segid " " and resid 1194 and name HA )) 2.800 1.000 1.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.19378E-02 ppm1 2.222 ppm2 4.149 CV 1 ASSI { 2622} (( segid " " and resid 1120 and name HB )) ( segid " " and resid 1120 and name HG2%) 2.200 0.600 0.600 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.88017E-02 ppm1 1.794 ppm2 0.893 CV 1 ASSI { 2647} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1121 and name HB2 )) 2.100 0.500 0.500 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.11420E-01 ppm1 4.350 ppm2 2.240 CV 1 ASSI { 2658} ( segid " " and resid 1135 and name HD2%) (( segid " " and resid 1135 and name HN )) 2.800 2.800 3.200 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.17060E-02 ppm1 0.869 ppm2 8.637 CV 1 ASSI { 2662} (( segid " " and resid 1173 and name HB2 )) (( segid " " and resid 1173 and name HN )) 3.200 1.300 1.300 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 3.932 ppm2 8.245 CV 1 ASSI { 2684} (( segid " " and resid 1121 and name HB1 )) (( segid " " and resid 1121 and name HB2 )) 1.700 0.400 0.500 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.32979E-01 ppm1 1.846 ppm2 2.242 CV 1 ASSI { 2685} (( segid " " and resid 1183 and name HB1 )) (( segid " " and resid 1183 and name HN )) 3.100 1.200 1.200 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 1.962 ppm2 8.293 CV 1 ASSI { 2686} (( segid " " and resid 1181 and name HG2 )) (( segid " " and resid 1181 and name HN )) 3.300 1.400 1.400 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.68096E-03 ppm1 1.755 ppm2 8.899 CV 1 OR { 2686} (( segid " " and resid 1181 and name HG1 )) (( segid " " and resid 1181 and name HN )) ASSI { 2704} ( segid " " and resid 1152 and name HD% ) (( segid " " and resid 1152 and name HB1 )) 3.100 1.200 1.200 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.98883E-03 ppm1 7.012 ppm2 2.603 CV 1 ASSI { 2706} (( segid " " and resid 1154 and name HB2 )) (( segid " " and resid 1154 and name HA )) 2.700 0.900 0.900 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.22892E-02 ppm1 2.757 ppm2 4.779 CV 1 OR { 2706} (( segid " " and resid 1154 and name HB1 )) (( segid " " and resid 1154 and name HA )) ASSI { 2727} ( segid " " and resid 1179 and name HD1%) (( segid " " and resid 1180 and name HN )) 3.100 1.200 1.200 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.95260E-03 ppm1 0.785 ppm2 8.584 CV 1 ASSI { 2728} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1138 and name HN )) 3.000 1.200 1.200 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 0.763 ppm2 8.199 CV 1 ASSI { 2732} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HG11)) 2.800 1.000 1.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 3.716 ppm2 1.068 CV 1 ASSI { 2736} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1162 and name HG )) 2.300 0.700 0.700 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.62481E-02 ppm1 0.635 ppm2 1.356 CV 1 ASSI { 2745} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HG12)) 2.800 1.000 1.000 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 3.722 ppm2 1.739 CV 1 ASSI { 2746} (( segid " " and resid 1137 and name HA )) (( segid " " and resid 1140 and name HG1 )) 3.100 1.200 1.200 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 3.653 ppm2 1.422 CV 1 ASSI { 2753} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1149 and name HA )) 2.900 1.100 1.100 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 0.790 ppm2 3.459 CV 1 ASSI { 2768} (( segid " " and resid 1146 and name HG1 )) (( segid " " and resid 1146 and name HN )) 2.900 1.100 1.100 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 2.158 ppm2 8.508 CV 1 ASSI { 2790} (( segid " " and resid 1134 and name HB1 )) (( segid " " and resid 1135 and name HN )) 3.200 1.300 1.300 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 2.115 ppm2 8.637 CV 1 ASSI { 2801} (( segid " " and resid 1165 and name HB )) (( segid " " and resid 70 and name HG )) 2.700 0.900 0.900 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.22276E-02 ppm1 4.219 ppm2 1.716 CV 1 ASSI { 2841} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1153 and name HA )) 3.100 1.200 1.200 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.98519E-03 ppm1 0.894 ppm2 4.382 CV 1 ASSI { 2858} (( segid " " and resid 1140 and name HB1 )) (( segid " " and resid 1140 and name HN )) 3.100 1.200 1.200 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 1.901 ppm2 7.374 CV 1 ASSI { 2861} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1162 and name HB2 )) 2.700 0.900 0.900 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 0.633 ppm2 1.166 CV 1 ASSI { 2917} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1131 and name HB1 )) 2.900 1.000 1.000 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.684 ppm2 1.171 CV 1 ASSI { 2931} ( segid " " and resid 1188 and name HD1%) (( segid " " and resid 1188 and name HN )) 2.600 0.900 0.900 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.26369E-02 ppm1 0.824 ppm2 7.992 CV 1 ASSI { 2940} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1184 and name HN )) 2.800 1.000 1.000 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 0.887 ppm2 8.992 CV 1 OR { 2940} ( segid " " and resid 1184 and name HD2%) (( segid " " and resid 1184 and name HN )) ASSI { 2951} (( segid " " and resid 1134 and name HB2 )) (( segid " " and resid 1135 and name HN )) 3.000 1.100 1.100 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 2.227 ppm2 8.641 CV 1 ASSI { 2952} (( segid " " and resid 1193 and name HB1 )) (( segid " " and resid 1193 and name HN )) 2.900 1.000 1.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 1.516 ppm2 8.031 CV 1 ASSI { 2955} (( segid " " and resid 1193 and name HB2 )) (( segid " " and resid 1193 and name HN )) 2.900 1.100 1.100 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 1.637 ppm2 8.034 CV 1 ASSI { 2963} (( segid " " and resid 1126 and name HA )) ( segid " " and resid 1129 and name HB% ) 2.600 0.900 0.900 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.27492E-02 ppm1 4.302 ppm2 1.392 CV 1 ASSI { 3001} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1169 and name HN )) 2.900 1.000 1.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 2.437 ppm2 8.244 CV 1 ASSI { 3056} ( segid " " and resid 1152 and name HE% ) ( segid " " and resid 1152 and name HD% ) 2.200 0.600 0.600 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.75340E-02 ppm1 6.663 ppm2 7.009 CV 1 ASSI { 3063} ( segid " " and resid 1152 and name HE% ) (( segid " " and resid 1152 and name HB1 )) 3.200 1.300 1.300 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.84032E-03 ppm1 6.674 ppm2 2.631 CV 1 ASSI { 3068} ( segid " " and resid 1152 and name HE% ) ( segid " " and resid 1148 and name HE% ) 2.900 1.100 1.100 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 6.678 ppm2 1.938 CV 1 ASSI { 3119} ( segid " " and resid 1152 and name HD% ) (( segid " " and resid 1152 and name HA )) 3.000 1.100 1.100 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 7.017 ppm2 4.663 CV 1 ASSI { 3122} (( segid " " and resid 1135 and name HB1 )) (( segid " " and resid 1135 and name HB2 )) 3.200 3.200 2.800 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 1.562 ppm2 2.030 CV 1 ASSI { 3123} ( segid " " and resid 1152 and name HD% ) (( segid " " and resid 1152 and name HB2 )) 3.100 1.200 1.200 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 7.008 ppm2 3.408 CV 1 ASSI { 3133} (( segid " " and resid 1120 and name HG11)) (( segid " " and resid 1120 and name HG12)) 1.700 0.400 0.500 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.36142E-01 ppm1 1.114 ppm2 1.422 CV 1 ASSI { 3134} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1190 and name HA )) 2.200 0.600 0.600 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.77984E-02 ppm1 0.861 ppm2 4.147 CV 1 ASSI { 3135} ( segid " " and resid 1139 and name HD1%) (( segid " " and resid 1139 and name HN )) 2.600 2.600 3.400 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.29049E-02 ppm1 0.815 ppm2 8.683 CV 1 ASSI { 3145} ( segid " " and resid 1193 and name HD1%) (( segid " " and resid 1190 and name HA )) 1.900 0.400 0.400 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.21207E-01 ppm1 0.803 ppm2 4.189 CV 1 ASSI { 3168} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 1162 and name HA )) 2.400 0.700 0.700 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.50854E-02 ppm1 0.624 ppm2 3.879 CV 1 ASSI { 3179} (( segid " " and resid 1199 and name HD1 )) (( segid " " and resid 1198 and name HA )) 2.600 0.900 0.900 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.26768E-02 ppm1 3.562 ppm2 4.492 CV 1 ASSI { 3200} (( segid " " and resid 1199 and name HD2 )) (( segid " " and resid 1198 and name HA )) 2.700 0.900 0.900 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 3.665 ppm2 4.488 CV 1 ASSI { 3216} (( segid " " and resid 1188 and name HG )) (( segid " " and resid 1188 and name HN )) 2.700 2.700 3.300 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.24304E-02 ppm1 1.691 ppm2 8.001 CV 1 ASSI { 3217} (( segid " " and resid 1184 and name HA )) (( segid " " and resid 1184 and name HN )) 3.200 1.200 1.200 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 3.945 ppm2 9.001 CV 1 ASSI { 3229} (( segid " " and resid 1184 and name HG )) (( segid " " and resid 1184 and name HN )) 3.100 1.200 1.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.95260E-03 ppm1 1.596 ppm2 8.983 CV 1 ASSI { 3243} (( segid " " and resid 1181 and name HG1 )) (( segid " " and resid 1181 and name HA )) 3.100 1.200 1.200 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.94534E-03 ppm1 1.755 ppm2 3.870 CV 1 OR { 3243} (( segid " " and resid 1181 and name HG2 )) (( segid " " and resid 1181 and name HA )) ASSI { 3441} (( segid " " and resid 1143 and name HG2 )) (( segid " " and resid 1143 and name HE22)) 3.000 1.100 1.100 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 2.440 ppm2 7.409 CV 1 ASSI { 4153} (( segid " " and resid 1135 and name HG )) (( segid " " and resid 1135 and name HB2 )) 2.300 0.700 0.700 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.54331E-02 ppm1 1.741 ppm2 2.015 CV 1 ASSI { 4318} (( segid " " and resid 1169 and name HB2 )) (( segid " " and resid 1169 and name HN )) 3.200 1.300 1.300 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.84757E-03 ppm1 2.212 ppm2 8.252 CV 1 ASSI { 4625} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 1169 and name HN )) 3.100 1.200 1.200 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 2.235 ppm2 8.240 CV 1 ASSI { 4671} (( segid " " and resid 1168 and name HB1 )) (( segid " " and resid 1168 and name HN )) 2.700 0.900 0.900 peak 4671 spectrum 1 weight 0.10000E+01 volume 0.24739E-02 ppm1 2.166 ppm2 7.998 CV 1 ASSI { 4687} (( segid " " and resid 1168 and name HG2 )) (( segid " " and resid 1168 and name HN )) 2.600 0.800 0.800 peak 4687 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 2.432 ppm2 7.999 CV 1 ASSI { 4692} ( segid " " and resid 1129 and name HB% ) (( segid " " and resid 1129 and name HA )) 1.800 0.400 0.400 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.23178E-01 ppm1 1.405 ppm2 4.160 CV 1 ASSI { 5761} (( segid " " and resid 1151 and name HB )) ( segid " " and resid 1151 and name HG2%) 2.600 0.900 0.900 peak 5761 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 3.821 ppm2 0.780 CV 1 ASSI { 5764} (( segid " " and resid 1147 and name HB1 )) (( segid " " and resid 1147 and name HN )) 2.700 0.900 0.900 peak 5764 spectrum 1 weight 0.10000E+01 volume 0.21117E-02 ppm1 2.853 ppm2 8.253 CV 1 ASSI { 5768} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1146 and name HG2 )) 2.600 0.900 0.900 peak 5768 spectrum 1 weight 0.10000E+01 volume 0.26586E-02 ppm1 1.026 ppm2 2.540 CV 1 ASSI { 5774} (( segid " " and resid 1141 and name HA )) (( segid " " and resid 1141 and name HB )) 3.200 1.300 1.300 peak 5774 spectrum 1 weight 0.10000E+01 volume 0.76426E-03 ppm1 3.568 ppm2 2.333 CV 1 ASSI { 5775} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HN )) 3.000 1.100 1.100 peak 5775 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 1.617 ppm2 7.378 CV 1 ASSI { 5780} (( segid " " and resid 1140 and name HD2 )) (( segid " " and resid 1140 and name HN )) 2.800 1.000 1.000 peak 5780 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 1.625 ppm2 7.379 CV 1 OR { 5780} (( segid " " and resid 1140 and name HD1 )) (( segid " " and resid 1140 and name HN )) ASSI { 5786} (( segid " " and resid 1134 and name HG2 )) (( segid " " and resid 1134 and name HE21)) 3.000 1.200 1.200 peak 5786 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 2.517 ppm2 6.712 CV 1 ASSI { 5797} (( segid " " and resid 1138 and name HG2 )) (( segid " " and resid 1138 and name HB1 )) 3.000 1.100 1.100 peak 5797 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 2.358 ppm2 1.888 CV 1 OR { 5797} (( segid " " and resid 1138 and name HG2 )) (( segid " " and resid 1138 and name HB2 )) ASSI { 5799} (( segid " " and resid 1138 and name HG1 )) ( segid " " and resid 1137 and name HG2%) 3.100 3.100 2.900 peak 5799 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 2.151 ppm2 0.822 CV 1 ASSI { 5802} (( segid " " and resid 1138 and name HG2 )) ( segid " " and resid 1137 and name HG2%) 3.200 1.300 1.300 peak 5802 spectrum 1 weight 0.10000E+01 volume 0.85844E-03 ppm1 2.351 ppm2 0.818 CV 1 ASSI { 5813} (( segid " " and resid 1121 and name HB1 )) (( segid " " and resid 1121 and name HG2 )) 2.000 0.500 0.500 peak 5813 spectrum 1 weight 0.10000E+01 volume 0.14771E-01 ppm1 1.847 ppm2 1.991 CV 1 ASSI { 5816} (( segid " " and resid 1121 and name HA )) ( segid " " and resid 1122 and name HB% ) 3.000 3.000 3.000 peak 5816 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 4.347 ppm2 1.361 CV 1 ASSI { 5820} (( segid " " and resid 1122 and name HA )) ( segid " " and resid 1122 and name HB% ) 2.000 0.500 0.500 peak 5820 spectrum 1 weight 0.10000E+01 volume 0.12714E-01 ppm1 4.266 ppm2 1.350 CV 1 ASSI { 5823} (( segid " " and resid 1182 and name HB1 )) (( segid " " and resid 1182 and name HA )) 2.400 0.700 0.700 peak 5823 spectrum 1 weight 0.10000E+01 volume 0.42270E-02 ppm1 2.246 ppm2 4.149 CV 1 OR { 5823} (( segid " " and resid 1182 and name HB2 )) (( segid " " and resid 1182 and name HA )) ASSI { 5829} (( segid " " and resid 1182 and name HB2 )) (( segid " " and resid 1183 and name HN )) 2.900 1.000 1.000 peak 5829 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 2.246 ppm2 8.288 CV 1 OR { 5829} (( segid " " and resid 1182 and name HB1 )) (( segid " " and resid 1183 and name HN )) ASSI { 5830} (( segid " " and resid 1121 and name HB2 )) (( segid " " and resid 1121 and name HD2 )) 2.900 1.100 1.100 peak 5830 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 2.257 ppm2 3.853 CV 1 ASSI { 5835} (( segid " " and resid 1182 and name HB2 )) (( segid " " and resid 1179 and name HA )) 2.900 1.000 1.000 peak 5835 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 2.236 ppm2 3.695 CV 1 ASSI { 5838} (( segid " " and resid 1182 and name HB2 )) ( segid " " and resid 1179 and name HG2%) 2.800 2.800 3.200 peak 5838 spectrum 1 weight 0.10000E+01 volume 0.18726E-02 ppm1 2.247 ppm2 0.823 CV 1 OR { 5838} (( segid " " and resid 1182 and name HB1 )) ( segid " " and resid 1179 and name HG2%) ASSI { 5842} (( segid " " and resid 1121 and name HG1 )) (( segid " " and resid 1121 and name HA )) 3.000 1.100 1.100 peak 5842 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 1.940 ppm2 4.352 CV 1 ASSI { 5845} (( segid " " and resid 1121 and name HG2 )) (( segid " " and resid 1121 and name HA )) 3.000 1.100 1.100 peak 5845 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 1.995 ppm2 4.353 CV 1 ASSI { 5852} (( segid " " and resid 1166 and name HA )) (( segid " " and resid 1166 and name HN )) 2.900 1.000 1.000 peak 5852 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 4.128 ppm2 8.193 CV 1 ASSI { 5854} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1121 and name HD1 )) 3.200 1.300 1.300 peak 5854 spectrum 1 weight 0.10000E+01 volume 0.81860E-03 ppm1 4.354 ppm2 3.610 CV 1 ASSI { 5858} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1162 and name HN )) 3.100 1.200 1.200 peak 5858 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 1.856 ppm2 7.666 CV 1 ASSI { 5866} (( segid " " and resid 1121 and name HG2 )) (( segid " " and resid 1121 and name HD2 )) 2.400 0.700 0.700 peak 5866 spectrum 1 weight 0.10000E+01 volume 0.45421E-02 ppm1 1.996 ppm2 3.852 CV 1 ASSI { 5868} (( segid " " and resid 1121 and name HG1 )) (( segid " " and resid 1121 and name HD1 )) 2.500 0.800 0.800 peak 5868 spectrum 1 weight 0.10000E+01 volume 0.37162E-02 ppm1 1.937 ppm2 3.611 CV 1 ASSI { 5870} (( segid " " and resid 1121 and name HG1 )) (( segid " " and resid 1121 and name HB2 )) 2.600 0.800 0.800 peak 5870 spectrum 1 weight 0.10000E+01 volume 0.29484E-02 ppm1 1.941 ppm2 2.245 CV 1 ASSI { 5873} (( segid " " and resid 1121 and name HD1 )) ( segid " " and resid 1120 and name HG2%) 2.500 0.800 0.800 peak 5873 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 3.620 ppm2 0.891 CV 1 ASSI { 5874} (( segid " " and resid 1121 and name HD2 )) ( segid " " and resid 1120 and name HG2%) 2.800 1.000 1.000 peak 5874 spectrum 1 weight 0.10000E+01 volume 0.19958E-02 ppm1 3.867 ppm2 0.887 CV 1 ASSI { 5878} (( segid " " and resid 1121 and name HD1 )) (( segid " " and resid 1120 and name HA )) 2.100 0.500 0.500 peak 5878 spectrum 1 weight 0.10000E+01 volume 0.10333E-01 ppm1 3.620 ppm2 4.418 CV 1 ASSI { 5884} (( segid " " and resid 1121 and name HD2 )) (( segid " " and resid 1121 and name HD1 )) 1.600 0.300 0.600 peak 5884 spectrum 1 weight 0.10000E+01 volume 0.50779E-01 ppm1 3.866 ppm2 3.606 CV 1 ASSI { 5901} (( segid " " and resid 1123 and name HA )) ( segid " " and resid 1123 and name HG2%) 2.000 0.500 0.500 peak 5901 spectrum 1 weight 0.10000E+01 volume 0.13677E-01 ppm1 4.232 ppm2 1.136 CV 1 ASSI { 5908} (( segid " " and resid 1123 and name HB )) ( segid " " and resid 1123 and name HG2%) 2.100 0.600 0.600 peak 5908 spectrum 1 weight 0.10000E+01 volume 0.99823E-02 ppm1 4.194 ppm2 1.145 CV 1 ASSI { 5910} ( segid " " and resid 1157 and name HG2%) ( segid " " and resid 1152 and name HE% ) 3.300 1.300 1.300 peak 5910 spectrum 1 weight 0.10000E+01 volume 0.71717E-03 ppm1 1.147 ppm2 6.669 CV 1 ASSI { 5913} ( segid " " and resid 1157 and name HG2%) ( segid " " and resid 1152 and name HD% ) 3.100 1.200 1.200 peak 5913 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.145 ppm2 7.013 CV 1 ASSI { 5914} (( segid " " and resid 1124 and name HB1 )) (( segid " " and resid 1124 and name HA )) 2.600 0.800 0.800 peak 5914 spectrum 1 weight 0.10000E+01 volume 0.31657E-02 ppm1 2.745 ppm2 4.620 CV 1 ASSI { 5916} (( segid " " and resid 1195 and name HB2 )) (( segid " " and resid 1195 and name HA )) 2.600 0.800 0.800 peak 5916 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 2.794 ppm2 4.607 CV 1 ASSI { 5919} (( segid " " and resid 1195 and name HB1 )) (( segid " " and resid 1195 and name HA )) 2.800 0.900 0.900 peak 5919 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 2.708 ppm2 4.604 CV 1 ASSI { 5923} ( segid " " and resid 1139 and name HD1%) (( segid " " and resid 1135 and name HB2 )) 2.400 2.400 3.600 peak 5923 spectrum 1 weight 0.10000E+01 volume 0.41328E-02 ppm1 0.817 ppm2 1.984 CV 1 ASSI { 5925} (( segid " " and resid 1131 and name HA )) ( segid " " and resid 1131 and name HD1%) 2.900 1.000 1.000 peak 5925 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 4.112 ppm2 0.687 CV 1 ASSI { 5935} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1146 and name HG1 )) 2.500 0.800 0.800 peak 5935 spectrum 1 weight 0.10000E+01 volume 0.33903E-02 ppm1 1.025 ppm2 2.122 CV 1 ASSI { 5938} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1196 and name HB2 )) 2.100 0.600 0.600 peak 5938 spectrum 1 weight 0.10000E+01 volume 0.10095E-01 ppm1 4.230 ppm2 2.055 CV 1 ASSI { 5942} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1195 and name HB1 )) 2.900 2.900 3.100 peak 5942 spectrum 1 weight 0.10000E+01 volume 0.15720E-02 ppm1 4.226 ppm2 2.643 CV 1 ASSI { 5943} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1195 and name HB2 )) 3.100 1.200 1.200 peak 5943 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 4.226 ppm2 2.762 CV 1 ASSI { 5944} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1165 and name HB )) 3.300 3.300 2.700 peak 5944 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 0.624 ppm2 4.212 CV 1 ASSI { 5945} (( segid " " and resid 1193 and name HB2 )) (( segid " " and resid 1193 and name HA )) 2.200 0.600 0.600 peak 5945 spectrum 1 weight 0.10000E+01 volume 0.74615E-02 ppm1 1.642 ppm2 4.192 CV 1 ASSI { 5951} (( segid " " and resid 1126 and name HA )) (( segid " " and resid 1126 and name HB2 )) 2.600 0.800 0.800 peak 5951 spectrum 1 weight 0.10000E+01 volume 0.31838E-02 ppm1 4.305 ppm2 3.997 CV 1 ASSI { 5954} (( segid " " and resid 1126 and name HB1 )) (( segid " " and resid 1126 and name HA )) 2.300 0.700 0.700 peak 5954 spectrum 1 weight 0.10000E+01 volume 0.54005E-02 ppm1 3.882 ppm2 4.304 CV 1 ASSI { 5955} (( segid " " and resid 1153 and name HB2 )) (( segid " " and resid 1153 and name HA )) 2.600 0.800 0.800 peak 5955 spectrum 1 weight 0.10000E+01 volume 0.31078E-02 ppm1 3.971 ppm2 4.381 CV 1 ASSI { 5956} (( segid " " and resid 1173 and name HB1 )) (( segid " " and resid 1173 and name HN )) 3.000 1.100 1.100 peak 5956 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 3.863 ppm2 8.258 CV 1 ASSI { 5968} ( segid " " and resid 1187 and name HB% ) (( segid " " and resid 1128 and name HA )) 3.100 1.200 1.200 peak 5968 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.375 ppm2 3.458 CV 1 ASSI { 5973} (( segid " " and resid 1128 and name HA )) ( segid " " and resid 1131 and name HD1%) 2.900 1.100 1.100 peak 5973 spectrum 1 weight 0.10000E+01 volume 0.13475E-02 ppm1 3.446 ppm2 0.688 CV 1 ASSI { 5981} (( segid " " and resid 1128 and name HB )) (( segid " " and resid 1128 and name HN )) 2.600 0.900 0.900 peak 5981 spectrum 1 weight 0.10000E+01 volume 0.26478E-02 ppm1 2.003 ppm2 7.997 CV 1 ASSI { 5984} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1149 and name HA )) 2.500 0.800 0.800 peak 5984 spectrum 1 weight 0.10000E+01 volume 0.33215E-02 ppm1 0.890 ppm2 3.450 CV 1 ASSI { 5988} ( segid " " and resid 1128 and name HG1%) (( segid " " and resid 1128 and name HA )) 2.500 0.800 0.800 peak 5988 spectrum 1 weight 0.10000E+01 volume 0.34482E-02 ppm1 0.819 ppm2 3.449 CV 1 ASSI { 5992} ( segid " " and resid 1128 and name HG1%) ( segid " " and resid 1187 and name HB% ) 2.600 0.900 0.900 peak 5992 spectrum 1 weight 0.10000E+01 volume 0.27130E-02 ppm1 0.819 ppm2 1.365 CV 1 ASSI { 5995} ( segid " " and resid 1151 and name HG2%) ( segid " " and resid 1152 and name HD% ) 3.000 1.200 1.200 peak 5995 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 0.788 ppm2 7.021 CV 1 ASSI { 5998} ( segid " " and resid 1128 and name HG1%) (( segid " " and resid 1128 and name HB )) 2.200 0.600 0.600 peak 5998 spectrum 1 weight 0.10000E+01 volume 0.75956E-02 ppm1 0.820 ppm2 1.999 CV 1 ASSI { 6001} ( segid " " and resid 1187 and name HB% ) (( segid " " and resid 1187 and name HA )) 1.800 0.400 0.400 peak 6001 spectrum 1 weight 0.10000E+01 volume 0.24272E-01 ppm1 1.384 ppm2 4.117 CV 1 ASSI { 6005} ( segid " " and resid 1179 and name HD1%) (( segid " " and resid 1179 and name HG12)) 2.000 0.500 0.500 peak 6005 spectrum 1 weight 0.10000E+01 volume 0.12703E-01 ppm1 0.782 ppm2 1.729 CV 1 ASSI { 6093} ( segid " " and resid 1128 and name HG2%) (( segid " " and resid 1128 and name HA )) 2.300 0.700 0.700 peak 6093 spectrum 1 weight 0.10000E+01 volume 0.52846E-02 ppm1 0.916 ppm2 3.447 CV 1 ASSI { 6104} ( segid " " and resid 1128 and name HG2%) (( segid " " and resid 1128 and name HB )) 2.200 0.600 0.600 peak 6104 spectrum 1 weight 0.10000E+01 volume 0.70124E-02 ppm1 0.914 ppm2 1.991 CV 1 ASSI { 6113} ( segid " " and resid 1128 and name HG2%) ( segid " " and resid 1187 and name HB% ) 2.200 0.600 0.600 peak 6113 spectrum 1 weight 0.10000E+01 volume 0.70015E-02 ppm1 0.916 ppm2 1.359 CV 1 ASSI { 6177} (( segid " " and resid 1186 and name HD1 )) (( segid " " and resid 1186 and name HA )) 2.500 0.800 0.800 peak 6177 spectrum 1 weight 0.10000E+01 volume 0.32563E-02 ppm1 3.146 ppm2 4.031 CV 1 ASSI { 6190} (( segid " " and resid 1192 and name HB2 )) (( segid " " and resid 1192 and name HG1 )) 2.000 0.500 0.500 peak 6190 spectrum 1 weight 0.10000E+01 volume 0.15296E-01 ppm1 2.100 ppm2 2.310 CV 1 OR { 6190} (( segid " " and resid 1192 and name HB2 )) (( segid " " and resid 1192 and name HG2 )) ASSI { 6192} (( segid " " and resid 1127 and name HD2 )) (( segid " " and resid 1127 and name HA )) 2.600 0.800 0.800 peak 6192 spectrum 1 weight 0.10000E+01 volume 0.29484E-02 ppm1 3.178 ppm2 4.102 CV 1 ASSI { 6200} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1186 and name HG1 )) 2.400 2.400 3.600 peak 6200 spectrum 1 weight 0.10000E+01 volume 0.47413E-02 ppm1 4.133 ppm2 1.602 CV 1 ASSI { 6206} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1183 and name HB1 )) 2.700 0.900 0.900 peak 6206 spectrum 1 weight 0.10000E+01 volume 0.22819E-02 ppm1 0.688 ppm2 2.011 CV 1 ASSI { 6211} (( segid " " and resid 1137 and name HA )) (( segid " " and resid 1137 and name HG12)) 2.900 1.000 1.000 peak 6211 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 3.639 ppm2 1.613 CV 1 ASSI { 6217} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HA )) 2.300 0.600 0.600 peak 6217 spectrum 1 weight 0.10000E+01 volume 0.65234E-02 ppm1 0.893 ppm2 4.096 CV 1 ASSI { 6224} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1184 and name HA )) 2.800 2.800 3.200 peak 6224 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 0.892 ppm2 3.954 CV 1 ASSI { 6226} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1132 and name HN )) 3.000 3.000 3.000 peak 6226 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.896 ppm2 8.644 CV 1 ASSI { 6229} ( segid " " and resid 1188 and name HD2%) (( segid " " and resid 1188 and name HA )) 1.900 1.900 4.100 peak 6229 spectrum 1 weight 0.10000E+01 volume 0.19773E-01 ppm1 0.837 ppm2 4.084 CV 1 ASSI { 6233} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1184 and name HN )) 3.300 1.300 1.300 peak 6233 spectrum 1 weight 0.10000E+01 volume 0.73166E-03 ppm1 0.894 ppm2 9.012 CV 1 ASSI { 6235} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1180 and name HA )) 2.900 1.100 1.100 peak 6235 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 0.884 ppm2 3.653 CV 1 ASSI { 6236} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1183 and name HB2 )) 2.600 0.900 0.900 peak 6236 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 0.889 ppm2 2.318 CV 1 ASSI { 6237} ( segid " " and resid 1131 and name HD2%) ( segid " " and resid 1131 and name HD1%) 2.100 0.500 0.500 peak 6237 spectrum 1 weight 0.10000E+01 volume 0.11225E-01 ppm1 0.892 ppm2 0.682 CV 1 ASSI { 6246} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HB1 )) 2.600 0.900 0.900 peak 6246 spectrum 1 weight 0.10000E+01 volume 0.26152E-02 ppm1 0.884 ppm2 1.210 CV 1 ASSI { 6258} (( segid " " and resid 1174 and name HA )) (( segid " " and resid 1174 and name HN )) 3.200 1.200 1.200 peak 6258 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 3.809 ppm2 8.350 CV 1 ASSI { 6261} (( segid " " and resid 1167 and name HB1 )) (( segid " " and resid 1167 and name HG2 )) 2.900 1.100 1.100 peak 6261 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 1.980 ppm2 2.536 CV 1 ASSI { 6338} (( segid " " and resid 1142 and name HA )) ( segid " " and resid 1145 and name HB% ) 2.800 1.000 1.000 peak 6338 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 3.762 ppm2 1.501 CV 1 ASSI { 6358} ( segid " " and resid 1179 and name HD1%) (( segid " " and resid 1178 and name HB2 )) 3.000 1.100 1.100 peak 6358 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 0.790 ppm2 2.840 CV 1 ASSI { 6367} (( segid " " and resid 1140 and name HE2 )) (( segid " " and resid 1140 and name HA )) 2.600 0.800 0.800 peak 6367 spectrum 1 weight 0.10000E+01 volume 0.30897E-02 ppm1 2.911 ppm2 4.094 CV 1 ASSI { 6414} (( segid " " and resid 1161 and name HB1 )) (( segid " " and resid 1161 and name HN )) 3.300 1.400 1.400 peak 6414 spectrum 1 weight 0.10000E+01 volume 0.68096E-03 ppm1 1.798 ppm2 8.101 CV 1 ASSI { 6447} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HA )) 2.700 0.900 0.900 peak 6447 spectrum 1 weight 0.10000E+01 volume 0.23435E-02 ppm1 1.538 ppm2 4.069 CV 1 ASSI { 6460} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HE1 )) 2.500 0.800 0.800 peak 6460 spectrum 1 weight 0.10000E+01 volume 0.32055E-02 ppm1 1.538 ppm2 2.890 CV 1 OR { 6460} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HE2 )) ASSI { 6499} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1133 and name HG1 )) 2.000 0.500 0.500 peak 6499 spectrum 1 weight 0.10000E+01 volume 0.14358E-01 ppm1 1.536 ppm2 1.353 CV 1 ASSI { 6584} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1133 and name HA )) 2.600 2.600 3.400 peak 6584 spectrum 1 weight 0.10000E+01 volume 0.29375E-02 ppm1 1.368 ppm2 4.086 CV 1 ASSI { 6655} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1163 and name HA )) 2.200 0.600 0.600 peak 6655 spectrum 1 weight 0.10000E+01 volume 0.88850E-02 ppm1 0.881 ppm2 3.875 CV 1 ASSI { 6663} ( segid " " and resid 1135 and name HD1%) (( segid " " and resid 1135 and name HB2 )) 2.400 0.700 0.700 peak 6663 spectrum 1 weight 0.10000E+01 volume 0.41328E-02 ppm1 0.829 ppm2 2.000 CV 1 ASSI { 6669} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1136 and name HA )) 2.000 0.500 0.500 peak 6669 spectrum 1 weight 0.10000E+01 volume 0.13199E-01 ppm1 1.487 ppm2 3.992 CV 1 ASSI { 6671} (( segid " " and resid 1136 and name HA )) (( segid " " and resid 1139 and name HB2 )) 3.100 1.200 1.200 peak 6671 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 4.002 ppm2 1.872 CV 1 ASSI { 6677} (( segid " " and resid 1137 and name HA )) (( segid " " and resid 1137 and name HB )) 2.800 1.000 1.000 peak 6677 spectrum 1 weight 0.10000E+01 volume 0.18545E-02 ppm1 3.647 ppm2 1.945 CV 1 ASSI { 6678} (( segid " " and resid 1137 and name HA )) (( segid " " and resid 1140 and name HB2 )) 3.200 1.300 1.300 peak 6678 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 3.630 ppm2 2.078 CV 1 ASSI { 6689} (( segid " " and resid 1137 and name HB )) (( segid " " and resid 1134 and name HA )) 2.800 1.000 1.000 peak 6689 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 1.943 ppm2 3.891 CV 1 ASSI { 6698} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1179 and name HA )) 2.400 0.700 0.700 peak 6698 spectrum 1 weight 0.10000E+01 volume 0.47812E-02 ppm1 0.849 ppm2 3.701 CV 1 ASSI { 6726} ( segid " " and resid 1149 and name HG2%) (( segid " " and resid 1149 and name HN )) 2.700 2.700 3.300 peak 6726 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 0.825 ppm2 8.307 CV 1 ASSI { 6729} ( segid " " and resid 1177 and name HG2%) (( segid " " and resid 1177 and name HN )) 2.900 1.100 1.100 peak 6729 spectrum 1 weight 0.10000E+01 volume 0.14163E-02 ppm1 0.816 ppm2 8.841 CV 1 ASSI { 6731} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1180 and name HN )) 3.000 1.100 1.100 peak 6731 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 0.847 ppm2 8.593 CV 1 ASSI { 6740} (( segid " " and resid 1179 and name HG11)) (( segid " " and resid 1179 and name HN )) 3.000 1.100 1.100 peak 6740 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 1.086 ppm2 7.676 CV 1 ASSI { 6741} ( segid " " and resid 1179 and name HD1%) (( segid " " and resid 1179 and name HA )) 2.400 0.700 0.700 peak 6741 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 0.784 ppm2 3.693 CV 1 ASSI { 6748} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1137 and name HA )) 2.400 2.400 3.600 peak 6748 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 0.763 ppm2 3.629 CV 1 ASSI { 6869} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1133 and name HE1 )) 2.700 0.900 0.900 peak 6869 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 0.762 ppm2 2.894 CV 1 ASSI { 7041} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1138 and name HG2 )) 3.100 3.100 2.900 peak 7041 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.768 ppm2 2.335 CV 1 ASSI { 7150} ( segid " " and resid 1120 and name HD1%) (( segid " " and resid 1120 and name HG11)) 2.100 0.500 0.500 peak 7150 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 0.804 ppm2 1.116 CV 1 ASSI { 7233} (( segid " " and resid 1139 and name HA )) (( segid " " and resid 1139 and name HN )) 3.200 1.300 1.300 peak 7233 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 3.955 ppm2 8.675 CV 1 ASSI { 7291} (( segid " " and resid 1139 and name HB2 )) (( segid " " and resid 1139 and name HB1 )) 2.800 2.800 3.200 peak 7291 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 1.838 ppm2 1.358 CV 1 ASSI { 7732} (( segid " " and resid 1139 and name HB2 )) (( segid " " and resid 1139 and name HN )) 3.400 1.400 1.400 peak 7732 spectrum 1 weight 0.10000E+01 volume 0.61213E-03 ppm1 1.858 ppm2 8.710 CV 1 ASSI { 7739} (( segid " " and resid 1139 and name HG )) (( segid " " and resid 1139 and name HA )) 2.500 0.800 0.800 peak 7739 spectrum 1 weight 0.10000E+01 volume 0.35678E-02 ppm1 1.701 ppm2 3.957 CV 1 ASSI { 7745} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HA )) 2.700 2.700 3.300 peak 7745 spectrum 1 weight 0.10000E+01 volume 0.22928E-02 ppm1 1.439 ppm2 3.954 CV 1 ASSI { 7770} (( segid " " and resid 1185 and name HB1 )) (( segid " " and resid 1185 and name HN )) 2.600 0.900 0.900 peak 7770 spectrum 1 weight 0.10000E+01 volume 0.27745E-02 ppm1 1.882 ppm2 7.918 CV 1 ASSI { 7772} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HE1 )) 2.800 1.000 1.000 peak 7772 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 1.610 ppm2 2.889 CV 1 OR { 7772} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HE2 )) ASSI { 7859} (( segid " " and resid 1186 and name HA )) (( segid " " and resid 1186 and name HB1 )) 2.300 0.600 0.600 peak 7859 spectrum 1 weight 0.10000E+01 volume 0.63568E-02 ppm1 4.041 ppm2 1.824 CV 1 OR { 7859} (( segid " " and resid 1186 and name HA )) (( segid " " and resid 1186 and name HB2 )) ASSI { 7920} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HE1 )) 2.400 0.700 0.700 peak 7920 spectrum 1 weight 0.10000E+01 volume 0.42741E-02 ppm1 1.439 ppm2 2.900 CV 1 OR { 7920} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HE2 )) ASSI { 7936} (( segid " " and resid 1160 and name HB1 )) (( segid " " and resid 1160 and name HA )) 2.300 0.700 0.700 peak 7936 spectrum 1 weight 0.10000E+01 volume 0.56867E-02 ppm1 1.853 ppm2 3.968 CV 1 OR { 7936} (( segid " " and resid 1160 and name HB2 )) (( segid " " and resid 1160 and name HA )) ASSI { 7950} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HB1 )) 2.800 1.000 1.000 peak 7950 spectrum 1 weight 0.10000E+01 volume 0.18400E-02 ppm1 1.608 ppm2 1.911 CV 1 ASSI { 7978} (( segid " " and resid 1142 and name HG1 )) (( segid " " and resid 1142 and name HA )) 3.000 1.100 1.100 peak 7978 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 1.252 ppm2 3.755 CV 1 OR { 7978} (( segid " " and resid 1142 and name HG2 )) (( segid " " and resid 1142 and name HA )) ASSI { 7981} (( segid " " and resid 1140 and name HG1 )) (( segid " " and resid 1140 and name HB2 )) 2.800 1.000 1.000 peak 7981 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 1.416 ppm2 2.033 CV 1 ASSI { 7984} (( segid " " and resid 1142 and name HG1 )) (( segid " " and resid 1142 and name HB1 )) 3.000 1.100 1.100 peak 7984 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 1.246 ppm2 1.900 CV 1 OR { 7984} (( segid " " and resid 1142 and name HG2 )) (( segid " " and resid 1142 and name HB1 )) ASSI { 7996} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HA )) 2.900 1.100 1.100 peak 7996 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 1.609 ppm2 4.109 CV 1 ASSI { 7999} (( segid " " and resid 1140 and name HG1 )) (( segid " " and resid 1140 and name HA )) 2.600 0.900 0.900 peak 7999 spectrum 1 weight 0.10000E+01 volume 0.27600E-02 ppm1 1.415 ppm2 4.115 CV 1 ASSI { 8026} (( segid " " and resid 1174 and name HG2 )) (( segid " " and resid 1174 and name HG1 )) 2.400 0.700 0.700 peak 8026 spectrum 1 weight 0.10000E+01 volume 0.46906E-02 ppm1 1.646 ppm2 1.288 CV 1 ASSI { 8031} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1138 and name HA )) 2.800 1.000 1.000 peak 8031 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 0.908 ppm2 4.088 CV 1 ASSI { 8034} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1141 and name HN )) 3.100 1.200 1.200 peak 8034 spectrum 1 weight 0.10000E+01 volume 0.95623E-03 ppm1 0.912 ppm2 8.028 CV 1 ASSI { 8035} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1141 and name HA )) 2.600 0.800 0.800 peak 8035 spectrum 1 weight 0.10000E+01 volume 0.31259E-02 ppm1 0.906 ppm2 3.559 CV 1 ASSI { 8037} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1141 and name HB )) 2.500 0.800 0.800 peak 8037 spectrum 1 weight 0.10000E+01 volume 0.34193E-02 ppm1 0.908 ppm2 2.350 CV 1 ASSI { 8053} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1142 and name HN )) 3.000 1.100 1.100 peak 8053 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 0.987 ppm2 8.483 CV 1 ASSI { 8057} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1141 and name HN )) 2.700 0.900 0.900 peak 8057 spectrum 1 weight 0.10000E+01 volume 0.22385E-02 ppm1 0.988 ppm2 8.024 CV 1 ASSI { 8071} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1138 and name HA )) 2.500 0.800 0.800 peak 8071 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 0.989 ppm2 4.084 CV 1 ASSI { 8076} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1141 and name HA )) 2.400 0.700 0.700 peak 8076 spectrum 1 weight 0.10000E+01 volume 0.41980E-02 ppm1 0.988 ppm2 3.563 CV 1 ASSI { 8080} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1141 and name HB )) 2.400 0.700 0.700 peak 8080 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 0.988 ppm2 2.340 CV 1 ASSI { 8103} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1140 and name HB2 )) 2.800 0.900 0.900 peak 8103 spectrum 1 weight 0.10000E+01 volume 0.20139E-02 ppm1 0.985 ppm2 2.012 CV 1 ASSI { 8137} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1140 and name HB1 )) 2.900 2.900 3.100 peak 8137 spectrum 1 weight 0.10000E+01 volume 0.16118E-02 ppm1 0.986 ppm2 1.868 CV 1 ASSI { 8162} (( segid " " and resid 1146 and name HG1 )) (( segid " " and resid 1146 and name HB1 )) 2.800 1.000 1.000 peak 8162 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 2.151 ppm2 1.889 CV 1 ASSI { 8898} (( segid " " and resid 1142 and name HG1 )) ( segid " " and resid 1177 and name HD1%) 2.700 0.900 0.900 peak 8898 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.244 ppm2 0.752 CV 1 OR { 8898} (( segid " " and resid 1142 and name HG2 )) ( segid " " and resid 1177 and name HD1%) ASSI { 9145} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HN )) 2.900 1.100 1.100 peak 9145 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 1.549 ppm2 7.829 CV 1 ASSI { 9161} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1142 and name HE2 )) 2.600 0.800 0.800 peak 9161 spectrum 1 weight 0.10000E+01 volume 0.30317E-02 ppm1 1.502 ppm2 2.936 CV 1 OR { 9161} (( segid " " and resid 1142 and name HD2 )) (( segid " " and resid 1142 and name HE2 )) ASSI { 9181} (( segid " " and resid 1142 and name HB2 )) (( segid " " and resid 1139 and name HA )) 3.200 1.200 1.200 peak 9181 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 2.012 ppm2 3.917 CV 1 ASSI { 9245} (( segid " " and resid 1142 and name HE1 )) ( segid " " and resid 1170 and name HD2%) 2.800 0.900 0.900 peak 9245 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 2.730 ppm2 1.022 CV 1 ASSI { 9256} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1142 and name HG2 )) 2.600 0.900 0.900 peak 9256 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 2.732 ppm2 1.247 CV 1 OR { 9256} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1142 and name HG1 )) ASSI { 9258} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1142 and name HD2 )) 2.400 0.700 0.700 peak 9258 spectrum 1 weight 0.10000E+01 volume 0.41727E-02 ppm1 2.733 ppm2 1.489 CV 1 OR { 9258} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1142 and name HD1 )) ASSI { 9731} (( segid " " and resid 1142 and name HD1 )) ( segid " " and resid 1170 and name HD2%) 2.900 1.000 1.000 peak 9731 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 1.499 ppm2 1.006 CV 1 OR { 9731} (( segid " " and resid 1142 and name HD2 )) ( segid " " and resid 1170 and name HD2%) ASSI { 9732} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1142 and name HD1 )) 2.400 0.700 0.700 peak 9732 spectrum 1 weight 0.10000E+01 volume 0.40785E-02 ppm1 0.730 ppm2 1.494 CV 1 ASSI { 9734} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1142 and name HG1 )) 2.400 0.700 0.700 peak 9734 spectrum 1 weight 0.10000E+01 volume 0.42415E-02 ppm1 1.499 ppm2 1.239 CV 1 OR { 9734} (( segid " " and resid 1142 and name HD2 )) (( segid " " and resid 1142 and name HG2 )) OR { 9734} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1142 and name HG2 )) ASSI { 9740} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1142 and name HN )) 3.100 1.200 1.200 peak 9740 spectrum 1 weight 0.10000E+01 volume 0.10323E-02 ppm1 1.502 ppm2 8.477 CV 1 OR { 9740} (( segid " " and resid 1142 and name HD2 )) (( segid " " and resid 1142 and name HN )) ASSI { 9753} (( segid " " and resid 1120 and name HB )) ( segid " " and resid 1120 and name HD1%) 2.200 0.600 0.600 peak 9753 spectrum 1 weight 0.10000E+01 volume 0.88017E-02 ppm1 1.794 ppm2 0.785 CV 1 ASSI { 9754} (( segid " " and resid 1146 and name HB2 )) (( segid " " and resid 1146 and name HN )) 3.300 1.400 1.400 peak 9754 spectrum 1 weight 0.10000E+01 volume 0.67009E-03 ppm1 2.301 ppm2 8.495 CV 1 ASSI { 9756} (( segid " " and resid 1132 and name HB2 )) (( segid " " and resid 1132 and name HA )) 2.900 1.000 1.000 peak 9756 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 2.132 ppm2 3.838 CV 1 ASSI { 9760} (( segid " " and resid 1196 and name HG1 )) (( segid " " and resid 1196 and name HA )) 2.200 0.600 0.600 peak 9760 spectrum 1 weight 0.10000E+01 volume 0.70739E-02 ppm1 2.310 ppm2 4.195 CV 1 OR { 9760} (( segid " " and resid 1196 and name HG2 )) (( segid " " and resid 1196 and name HA )) ASSI { 9775} (( segid " " and resid 1132 and name HG2 )) (( segid " " and resid 1132 and name HA )) 2.700 0.900 0.900 peak 9775 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 2.501 ppm2 3.814 CV 1 ASSI { 9776} (( segid " " and resid 1146 and name HG2 )) (( segid " " and resid 1146 and name HA )) 2.900 1.000 1.000 peak 9776 spectrum 1 weight 0.10000E+01 volume 0.14995E-02 ppm1 2.561 ppm2 3.849 CV 1 ASSI { 9778} (( segid " " and resid 1146 and name HG1 )) (( segid " " and resid 1146 and name HA )) 2.900 1.100 1.100 peak 9778 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 2.155 ppm2 3.841 CV 1 ASSI { 9779} (( segid " " and resid 1132 and name HG2 )) (( segid " " and resid 1129 and name HA )) 3.100 1.200 1.200 peak 9779 spectrum 1 weight 0.10000E+01 volume 0.94897E-03 ppm1 2.500 ppm2 4.144 CV 1 ASSI { 9780} (( segid " " and resid 1132 and name HG1 )) (( segid " " and resid 1129 and name HA )) 3.200 1.300 1.300 peak 9780 spectrum 1 weight 0.10000E+01 volume 0.84395E-03 ppm1 2.057 ppm2 4.149 CV 1 ASSI { 9782} (( segid " " and resid 1132 and name HG1 )) (( segid " " and resid 1132 and name HN )) 2.800 1.000 1.000 peak 9782 spectrum 1 weight 0.10000E+01 volume 0.18653E-02 ppm1 2.059 ppm2 8.650 CV 1 ASSI { 9783} (( segid " " and resid 1132 and name HG1 )) (( segid " " and resid 1133 and name HN )) 3.300 3.300 2.700 peak 9783 spectrum 1 weight 0.10000E+01 volume 0.72804E-03 ppm1 2.067 ppm2 7.812 CV 1 ASSI { 9784} (( segid " " and resid 1132 and name HG2 )) (( segid " " and resid 1133 and name HN )) 3.100 1.200 1.200 peak 9784 spectrum 1 weight 0.10000E+01 volume 0.90915E-03 ppm1 2.501 ppm2 7.835 CV 1 ASSI { 9785} (( segid " " and resid 1132 and name HG1 )) (( segid " " and resid 1132 and name HG2 )) 2.300 0.600 0.600 peak 9785 spectrum 1 weight 0.10000E+01 volume 0.62554E-02 ppm1 2.060 ppm2 2.482 CV 1 ASSI { 9786} (( segid " " and resid 1146 and name HG1 )) (( segid " " and resid 1146 and name HG2 )) 2.500 0.800 0.800 peak 9786 spectrum 1 weight 0.10000E+01 volume 0.32636E-02 ppm1 2.153 ppm2 2.538 CV 1 ASSI { 9787} (( segid " " and resid 1132 and name HG1 )) (( segid " " and resid 1132 and name HB1 )) 2.600 0.900 0.900 peak 9787 spectrum 1 weight 0.10000E+01 volume 0.27818E-02 ppm1 2.058 ppm2 1.911 CV 1 ASSI { 9789} (( segid " " and resid 1132 and name HG2 )) ( segid " " and resid 1128 and name HG1%) 2.400 0.700 0.700 peak 9789 spectrum 1 weight 0.10000E+01 volume 0.50927E-02 ppm1 2.497 ppm2 0.841 CV 1 ASSI { 9792} (( segid " " and resid 1146 and name HG1 )) (( segid " " and resid 1147 and name HN )) 3.300 1.300 1.300 peak 9792 spectrum 1 weight 0.10000E+01 volume 0.72804E-03 ppm1 2.160 ppm2 8.297 CV 1 ASSI { 9795} (( segid " " and resid 1132 and name HG2 )) (( segid " " and resid 1132 and name HB1 )) 2.700 0.900 0.900 peak 9795 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 2.495 ppm2 1.912 CV 1 ASSI { 9880} (( segid " " and resid 1146 and name HG2 )) (( segid " " and resid 1146 and name HB1 )) 2.800 1.000 1.000 peak 9880 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 2.550 ppm2 1.891 CV 1 ASSI { 9927} (( segid " " and resid 1147 and name HA )) (( segid " " and resid 1147 and name HB1 )) 2.700 0.900 0.900 peak 9927 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 4.418 ppm2 2.842 CV 1 ASSI { 9929} (( segid " " and resid 1147 and name HB1 )) (( segid " " and resid 1147 and name HB2 )) 2.500 0.800 0.800 peak 9929 spectrum 1 weight 0.10000E+01 volume 0.35859E-02 ppm1 2.853 ppm2 2.967 CV 1 ASSI { 9934} (( segid " " and resid 1180 and name HB )) ( segid " " and resid 1180 and name HD1%) 2.700 0.900 0.900 peak 9934 spectrum 1 weight 0.10000E+01 volume 0.20791E-02 ppm1 1.748 ppm2 0.689 CV 1 ASSI { 9937} (( segid " " and resid 1149 and name HB )) (( segid " " and resid 1146 and name HA )) 2.800 1.000 1.000 peak 9937 spectrum 1 weight 0.10000E+01 volume 0.17060E-02 ppm1 1.891 ppm2 3.857 CV 1 ASSI { 9938} (( segid " " and resid 1127 and name HB2 )) (( segid " " and resid 1128 and name HN )) 2.700 0.900 0.900 peak 9938 spectrum 1 weight 0.10000E+01 volume 0.24413E-02 ppm1 1.867 ppm2 8.032 CV 1 ASSI { 9941} (( segid " " and resid 1133 and name HD2 )) (( segid " " and resid 1133 and name HA )) 2.500 0.800 0.800 peak 9941 spectrum 1 weight 0.10000E+01 volume 0.40640E-02 ppm1 1.653 ppm2 4.053 CV 1 ASSI { 9956} ( segid " " and resid 1120 and name HD1%) (( segid " " and resid 1120 and name HA )) 3.100 1.200 1.200 peak 9956 spectrum 1 weight 0.10000E+01 volume 0.97439E-03 ppm1 0.799 ppm2 4.416 CV 1 ASSI { 9960} (( segid " " and resid 1181 and name HD1 )) (( segid " " and resid 1181 and name HN )) 3.300 3.300 2.700 peak 9960 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 3.106 ppm2 8.906 CV 1 ASSI { 9967} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1167 and name HN )) 3.100 1.200 1.200 peak 9967 spectrum 1 weight 0.10000E+01 volume 0.98883E-03 ppm1 0.790 ppm2 8.601 CV 1 ASSI { 9970} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1172 and name HN )) 2.700 0.900 0.900 peak 9970 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 2.423 ppm2 8.440 CV 1 OR { 9970} (( segid " " and resid 1171 and name HG1 )) (( segid " " and resid 1172 and name HN )) ASSI { 9971} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1170 and name HA )) 3.100 1.200 1.200 peak 9971 spectrum 1 weight 0.10000E+01 volume 0.97076E-03 ppm1 2.052 ppm2 3.896 CV 1 ASSI { 9977} (( segid " " and resid 1151 and name HA )) ( segid " " and resid 1151 and name HG2%) 2.600 0.800 0.800 peak 9977 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 3.809 ppm2 0.778 CV 1 ASSI { 9981} ( segid " " and resid 1179 and name HD1%) (( segid " " and resid 1178 and name HB1 )) 3.100 1.200 1.200 peak 9981 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 0.791 ppm2 2.591 CV 1 ASSI { 9982} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1152 and name HN )) 3.300 1.400 1.400 peak 9982 spectrum 1 weight 0.10000E+01 volume 0.67371E-03 ppm1 3.799 ppm2 8.111 CV 1 ASSI { 9983} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name HN )) 2.800 1.000 1.000 peak 9983 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 0.795 ppm2 7.904 CV 1 ASSI { 9986} (( segid " " and resid 1153 and name HB1 )) (( segid " " and resid 1153 and name HA )) 2.400 0.700 0.700 peak 9986 spectrum 1 weight 0.10000E+01 volume 0.46797E-02 ppm1 3.882 ppm2 4.372 CV 1 ASSI { 9991} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1158 and name HB1 )) 2.600 0.900 0.900 peak 9991 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 4.026 ppm2 1.648 CV 1 OR { 9991} (( segid " " and resid 1158 and name HA )) (( segid " " and resid 1158 and name HB2 )) ASSI { 9995} (( segid " " and resid 1158 and name HG2 )) (( segid " " and resid 1158 and name HA )) 2.600 0.800 0.800 peak 9995 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 1.331 ppm2 3.981 CV 1 ASSI { 9996} (( segid " " and resid 1158 and name HG1 )) (( segid " " and resid 1158 and name HA )) 3.000 1.200 1.200 peak 9996 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 1.248 ppm2 3.983 CV 1 ASSI {10007} (( segid " " and resid 1176 and name HD1 )) (( segid " " and resid 1176 and name HN )) 3.100 1.200 1.200 peak 10007 spectrum 1 weight 0.10000E+01 volume 0.10540E-02 ppm1 1.539 ppm2 7.831 CV 1 ASSI {10008} (( segid " " and resid 1137 and name HG12)) (( segid " " and resid 1137 and name HN )) 3.100 1.200 1.200 peak 10008 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 1.648 ppm2 7.660 CV 1 ASSI {10009} (( segid " " and resid 1176 and name HD2 )) (( segid " " and resid 1176 and name HN )) 3.100 1.200 1.200 peak 10009 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 1.588 ppm2 7.829 CV 1 ASSI {10011} (( segid " " and resid 1161 and name HD1 )) (( segid " " and resid 1161 and name HN )) 3.400 1.400 1.400 peak 10011 spectrum 1 weight 0.10000E+01 volume 0.61213E-03 ppm1 1.621 ppm2 8.078 CV 1 OR {10011} (( segid " " and resid 1161 and name HD2 )) (( segid " " and resid 1161 and name HN )) ASSI {10017} (( segid " " and resid 1186 and name HD1 )) (( segid " " and resid 1186 and name HN )) 2.700 0.900 0.900 peak 10017 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 3.143 ppm2 7.674 CV 1 OR {10017} (( segid " " and resid 1186 and name HD2 )) (( segid " " and resid 1186 and name HN )) ASSI {10019} (( segid " " and resid 1186 and name HB2 )) (( segid " " and resid 1186 and name HN )) 2.500 0.800 0.800 peak 10019 spectrum 1 weight 0.10000E+01 volume 0.32345E-02 ppm1 1.857 ppm2 7.676 CV 1 ASSI {10020} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HN )) 2.700 0.900 0.900 peak 10020 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 1.927 ppm2 7.914 CV 1 ASSI {10022} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HD2 )) 2.500 0.800 0.800 peak 10022 spectrum 1 weight 0.10000E+01 volume 0.35388E-02 ppm1 1.927 ppm2 3.139 CV 1 OR {10022} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HD1 )) ASSI {10023} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1185 and name HA )) 2.500 0.800 0.800 peak 10023 spectrum 1 weight 0.10000E+01 volume 0.35822E-02 ppm1 1.931 ppm2 3.906 CV 1 ASSI {10028} (( segid " " and resid 1161 and name HB1 )) (( segid " " and resid 1162 and name HN )) 3.000 1.100 1.100 peak 10028 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 1.798 ppm2 7.664 CV 1 ASSI {10034} (( segid " " and resid 1199 and name HA )) (( segid " " and resid 1199 and name HB1 )) 2.700 0.900 0.900 peak 10034 spectrum 1 weight 0.10000E+01 volume 0.21877E-02 ppm1 4.161 ppm2 1.801 CV 1 ASSI {10036} (( segid " " and resid 1199 and name HB2 )) (( segid " " and resid 1199 and name HB1 )) 1.800 0.400 0.400 peak 10036 spectrum 1 weight 0.10000E+01 volume 0.22257E-01 ppm1 2.143 ppm2 1.811 CV 1 ASSI {10038} (( segid " " and resid 1199 and name HG1 )) (( segid " " and resid 1199 and name HD2 )) 3.200 1.300 1.300 peak 10038 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 1.878 ppm2 3.639 CV 1 OR {10038} (( segid " " and resid 1199 and name HG2 )) (( segid " " and resid 1199 and name HD2 )) ASSI {10040} (( segid " " and resid 1192 and name HB2 )) (( segid " " and resid 1192 and name HA )) 2.200 0.600 0.600 peak 10040 spectrum 1 weight 0.10000E+01 volume 0.85047E-02 ppm1 2.093 ppm2 4.197 CV 1 ASSI {10042} (( segid " " and resid 1137 and name HB )) (( segid " " and resid 1137 and name HG11)) 3.000 1.200 1.200 peak 10042 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 1.930 ppm2 1.042 CV 1 ASSI {10044} ( segid " " and resid 1162 and name HD2%) ( segid " " and resid 1152 and name HE% ) 2.900 1.000 1.000 peak 10044 spectrum 1 weight 0.10000E+01 volume 0.16118E-02 ppm1 0.636 ppm2 6.677 CV 1 ASSI {10047} (( segid " " and resid 1132 and name HB1 )) (( segid " " and resid 1132 and name HA )) 2.500 0.800 0.800 peak 10047 spectrum 1 weight 0.10000E+01 volume 0.37743E-02 ppm1 1.907 ppm2 3.845 CV 1 ASSI {10048} (( segid " " and resid 1194 and name HB1 )) (( segid " " and resid 1194 and name HA )) 2.200 2.200 3.800 peak 10048 spectrum 1 weight 0.10000E+01 volume 0.85047E-02 ppm1 1.895 ppm2 4.143 CV 1 ASSI {10051} (( segid " " and resid 1196 and name HA )) (( segid " " and resid 1196 and name HN )) 3.000 1.100 1.100 peak 10051 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 4.214 ppm2 8.221 CV 1 ASSI {10054} ( segid " " and resid 1193 and name HD1%) (( segid " " and resid 1193 and name HN )) 2.800 1.000 1.000 peak 10054 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 0.803 ppm2 8.016 CV 1 ASSI {10059} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 187 and name HD2 )) 2.700 0.900 0.900 peak 10059 spectrum 1 weight 0.10000E+01 volume 0.23037E-02 ppm1 0.863 ppm2 3.160 CV 1 OR {10059} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 187 and name HD1 )) ASSI {10060} (( segid " " and resid 1186 and name HG1 )) (( segid " " and resid 1186 and name HD1 )) 2.000 0.500 0.500 peak 10060 spectrum 1 weight 0.10000E+01 volume 0.13927E-01 ppm1 1.626 ppm2 3.151 CV 1 OR {10060} (( segid " " and resid 1186 and name HG1 )) (( segid " " and resid 1186 and name HD2 )) ASSI {10061} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1185 and name HD1 )) 2.100 0.500 0.500 peak 10061 spectrum 1 weight 0.10000E+01 volume 0.10852E-01 ppm1 1.547 ppm2 3.160 CV 1 OR {10061} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1185 and name HD2 )) ASSI {10064} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1185 and name HN )) 2.800 1.000 1.000 peak 10064 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 1.553 ppm2 7.925 CV 1 ASSI {10065} (( segid " " and resid 1167 and name HG1 )) (( segid " " and resid 1167 and name HN )) 2.900 1.100 1.100 peak 10065 spectrum 1 weight 0.10000E+01 volume 0.14706E-02 ppm1 2.305 ppm2 8.622 CV 1 ASSI {10066} ( segid " " and resid 1193 and name HD1%) (( segid " " and resid 1193 and name HG )) 1.800 0.400 0.400 peak 10066 spectrum 1 weight 0.10000E+01 volume 0.29820E-01 ppm1 0.804 ppm2 1.594 CV 1 ASSI {10069} ( segid " " and resid 1131 and name HD2%) (( segid " " and resid 1131 and name HG )) 2.200 0.600 0.600 peak 10069 spectrum 1 weight 0.10000E+01 volume 0.78455E-02 ppm1 0.893 ppm2 1.707 CV 1 ASSI {10078} (( segid " " and resid 1192 and name HB1 )) (( segid " " and resid 1192 and name HG1 )) 2.100 0.500 0.500 peak 10078 spectrum 1 weight 0.10000E+01 volume 0.11732E-01 ppm1 1.982 ppm2 2.307 CV 1 OR {10078} (( segid " " and resid 1192 and name HB1 )) (( segid " " and resid 1192 and name HG2 )) ASSI {10079} (( segid " " and resid 1192 and name HB1 )) (( segid " " and resid 1192 and name HA )) 2.400 0.700 0.700 peak 10079 spectrum 1 weight 0.10000E+01 volume 0.51180E-02 ppm1 1.982 ppm2 4.195 CV 1 ASSI {10081} (( segid " " and resid 1191 and name HB2 )) (( segid " " and resid 1191 and name HA )) 2.300 0.700 0.700 peak 10081 spectrum 1 weight 0.10000E+01 volume 0.59873E-02 ppm1 2.637 ppm2 4.465 CV 1 ASSI {10082} (( segid " " and resid 1191 and name HB1 )) (( segid " " and resid 1191 and name HA )) 2.300 0.700 0.700 peak 10082 spectrum 1 weight 0.10000E+01 volume 0.59873E-02 ppm1 2.617 ppm2 4.466 CV 1 ASSI {10085} (( segid " " and resid 1191 and name HB2 )) (( segid " " and resid 1191 and name HN )) 3.000 1.100 1.100 peak 10085 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 2.633 ppm2 8.105 CV 1 ASSI {10087} (( segid " " and resid 1172 and name HB2 )) (( segid " " and resid 1169 and name HA )) 2.900 1.100 1.100 peak 10087 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 2.784 ppm2 4.098 CV 1 ASSI {10090} (( segid " " and resid 1190 and name HA )) ( segid " " and resid 1190 and name HB% ) 1.900 0.500 0.500 peak 10090 spectrum 1 weight 0.10000E+01 volume 0.17524E-01 ppm1 4.166 ppm2 1.367 CV 1 ASSI {10094} (( segid " " and resid 1190 and name HA )) (( segid " " and resid 1189 and name HB2 )) 3.300 1.300 1.300 peak 10094 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 4.160 ppm2 2.052 CV 1 ASSI {10099} (( segid " " and resid 1189 and name HA )) (( segid " " and resid 1192 and name HN )) 2.900 1.000 1.000 peak 10099 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 4.174 ppm2 8.004 CV 1 ASSI {10100} (( segid " " and resid 1189 and name HA )) (( segid " " and resid 1190 and name HN )) 2.900 1.100 1.100 peak 10100 spectrum 1 weight 0.10000E+01 volume 0.13438E-02 ppm1 4.162 ppm2 7.910 CV 1 ASSI {10108} ( segid " " and resid 1139 and name HD1%) (( segid " " and resid 1140 and name HN )) 3.200 1.300 1.300 peak 10108 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 0.814 ppm2 7.385 CV 1 ASSI {10110} (( segid " " and resid 1185 and name HB2 )) (( segid " " and resid 1186 and name HN )) 2.900 1.100 1.100 peak 10110 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 1.927 ppm2 7.683 CV 1 ASSI {10111} (( segid " " and resid 1184 and name HB2 )) (( segid " " and resid 1185 and name HN )) 3.000 1.100 1.100 peak 10111 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 1.704 ppm2 7.922 CV 1 ASSI {10120} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1167 and name HE21)) 3.200 1.300 1.300 peak 10120 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 0.893 ppm2 6.606 CV 1 ASSI {10121} ( segid " " and resid 1163 and name HD1%) (( segid " " and resid 1167 and name HE21)) 3.100 1.200 1.200 peak 10121 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 0.794 ppm2 6.598 CV 1 ASSI {10123} ( segid " " and resid 1163 and name HD1%) (( segid " " and resid 1153 and name HA )) 3.000 1.100 1.100 peak 10123 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 0.794 ppm2 4.390 CV 1 ASSI {10129} ( segid " " and resid 1187 and name HB% ) (( segid " " and resid 1127 and name HD1 )) 2.900 1.000 1.000 peak 10129 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 1.377 ppm2 3.168 CV 1 OR {10129} ( segid " " and resid 1187 and name HB% ) (( segid " " and resid 1127 and name HD2 )) ASSI {10131} (( segid " " and resid 1170 and name HB1 )) (( segid " " and resid 1171 and name HN )) 3.300 1.400 1.400 peak 10131 spectrum 1 weight 0.10000E+01 volume 0.63749E-03 ppm1 1.476 ppm2 7.860 CV 1 ASSI {10133} (( segid " " and resid 1190 and name HA )) (( segid " " and resid 1190 and name HN )) 2.800 1.000 1.000 peak 10133 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 4.164 ppm2 7.903 CV 1 ASSI {10134} (( segid " " and resid 1190 and name HA )) (( segid " " and resid 1191 and name HN )) 2.900 1.100 1.100 peak 10134 spectrum 1 weight 0.10000E+01 volume 0.13475E-02 ppm1 4.168 ppm2 8.086 CV 1 ASSI {10137} ( segid " " and resid 1187 and name HB% ) (( segid " " and resid 1184 and name HA )) 2.400 0.700 0.700 peak 10137 spectrum 1 weight 0.10000E+01 volume 0.43972E-02 ppm1 1.375 ppm2 3.947 CV 1 ASSI {10141} ( segid " " and resid 1187 and name HB% ) ( segid " " and resid 1131 and name HD1%) 2.400 0.700 0.700 peak 10141 spectrum 1 weight 0.10000E+01 volume 0.43972E-02 ppm1 1.371 ppm2 0.680 CV 1 ASSI {10145} (( segid " " and resid 1194 and name HB1 )) (( segid " " and resid 1195 and name HN )) 3.300 1.300 1.300 peak 10145 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 1.856 ppm2 8.301 CV 1 ASSI {10148} (( segid " " and resid 1180 and name HG12)) (( segid " " and resid 1180 and name HA )) 3.100 1.200 1.200 peak 10148 spectrum 1 weight 0.10000E+01 volume 0.98883E-03 ppm1 1.802 ppm2 3.682 CV 1 ASSI {10149} (( segid " " and resid 1186 and name HG1 )) (( segid " " and resid 1186 and name HA )) 2.400 0.700 0.700 peak 10149 spectrum 1 weight 0.10000E+01 volume 0.44298E-02 ppm1 1.626 ppm2 3.993 CV 1 ASSI {10151} (( segid " " and resid 1162 and name HG )) (( segid " " and resid 1162 and name HN )) 2.800 1.000 1.000 peak 10151 spectrum 1 weight 0.10000E+01 volume 0.16987E-02 ppm1 1.372 ppm2 7.669 CV 1 ASSI {10153} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1185 and name HA )) 2.600 0.800 0.800 peak 10153 spectrum 1 weight 0.10000E+01 volume 0.29665E-02 ppm1 1.551 ppm2 3.929 CV 1 ASSI {10155} (( segid " " and resid 1164 and name HG )) (( segid " " and resid 1164 and name HA )) 2.500 2.500 3.500 peak 10155 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 1.707 ppm2 4.080 CV 1 ASSI {10156} (( segid " " and resid 1127 and name HG2 )) (( segid " " and resid 1127 and name HA )) 2.500 0.800 0.800 peak 10156 spectrum 1 weight 0.10000E+01 volume 0.37271E-02 ppm1 1.650 ppm2 4.112 CV 1 ASSI {10157} (( segid " " and resid 1162 and name HG )) (( segid " " and resid 1162 and name HA )) 2.800 1.000 1.000 peak 10157 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 1.370 ppm2 3.893 CV 1 ASSI {10158} (( segid " " and resid 1163 and name HG )) (( segid " " and resid 1163 and name HA )) 2.900 1.000 1.000 peak 10158 spectrum 1 weight 0.10000E+01 volume 0.15141E-02 ppm1 1.401 ppm2 3.887 CV 1 ASSI {10159} (( segid " " and resid 1120 and name HG12)) (( segid " " and resid 1121 and name HD2 )) 3.000 1.100 1.100 peak 10159 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 1.442 ppm2 3.869 CV 1 ASSI {10160} (( segid " " and resid 1127 and name HG1 )) (( segid " " and resid 1127 and name HA )) 2.600 0.900 0.900 peak 10160 spectrum 1 weight 0.10000E+01 volume 0.26985E-02 ppm1 1.542 ppm2 4.117 CV 1 ASSI {10161} (( segid " " and resid 1185 and name HG2 )) (( segid " " and resid 1185 and name HN )) 2.700 0.900 0.900 peak 10161 spectrum 1 weight 0.10000E+01 volume 0.22819E-02 ppm1 1.762 ppm2 7.920 CV 1 ASSI {10163} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1186 and name HN )) 3.100 1.200 1.200 peak 10163 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 1.558 ppm2 7.676 CV 1 ASSI {10164} (( segid " " and resid 1170 and name HG )) (( segid " " and resid 1170 and name HN )) 3.100 3.100 2.900 peak 10164 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.500 ppm2 8.409 CV 1 ASSI {10165} (( segid " " and resid 1186 and name HG1 )) (( segid " " and resid 1187 and name HN )) 3.000 1.100 1.100 peak 10165 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 1.619 ppm2 8.035 CV 1 ASSI {10166} ( segid " " and resid 1177 and name HG2%) (( segid " " and resid 1178 and name HA )) 2.900 1.100 1.100 peak 10166 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 0.818 ppm2 4.343 CV 1 ASSI {10167} (( segid " " and resid 1170 and name HG )) (( segid " " and resid 1170 and name HB2 )) 3.000 1.100 1.100 peak 10167 spectrum 1 weight 0.10000E+01 volume 0.12170E-02 ppm1 1.503 ppm2 2.053 CV 1 ASSI {10173} (( segid " " and resid 1181 and name HD1 )) (( segid " " and resid 1181 and name HB2 )) 2.600 0.900 0.900 peak 10173 spectrum 1 weight 0.10000E+01 volume 0.26876E-02 ppm1 3.101 ppm2 1.934 CV 1 ASSI {10178} ( segid " " and resid 1188 and name HD2%) (( segid " " and resid 1189 and name HN )) 3.100 1.200 1.200 peak 10178 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 0.844 ppm2 7.629 CV 1 ASSI {10182} (( segid " " and resid 1185 and name HG1 )) (( segid " " and resid 1182 and name HA )) 2.600 0.900 0.900 peak 10182 spectrum 1 weight 0.10000E+01 volume 0.26985E-02 ppm1 1.545 ppm2 4.117 CV 1 ASSI {10187} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1167 and name HG2 )) 2.700 2.700 3.300 peak 10187 spectrum 1 weight 0.10000E+01 volume 0.23218E-02 ppm1 0.863 ppm2 2.525 CV 1 ASSI {10193} ( segid " " and resid 1184 and name HD2%) (( segid " " and resid 1184 and name HB1 )) 1.900 0.400 0.400 peak 10193 spectrum 1 weight 0.10000E+01 volume 0.21128E-01 ppm1 0.888 ppm2 1.664 CV 1 OR {10193} ( segid " " and resid 1184 and name HD2%) (( segid " " and resid 1184 and name HB2 )) OR {10193} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1184 and name HB1 )) ASSI {10194} (( segid " " and resid 1143 and name HG2 )) (( segid " " and resid 1144 and name HN )) 2.900 2.900 3.100 peak 10194 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 2.455 ppm2 8.280 CV 1 ASSI {10197} (( segid " " and resid 1134 and name HG2 )) (( segid " " and resid 1131 and name HA )) 2.900 1.100 1.100 peak 10197 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 2.530 ppm2 4.086 CV 1 ASSI {10199} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1168 and name HN )) 3.300 1.400 1.400 peak 10199 spectrum 1 weight 0.10000E+01 volume 0.67371E-03 ppm1 2.591 ppm2 8.010 CV 1 ASSI {10204} (( segid " " and resid 1134 and name HG2 )) (( segid " " and resid 1134 and name HN )) 2.700 0.900 0.900 peak 10204 spectrum 1 weight 0.10000E+01 volume 0.24341E-02 ppm1 2.526 ppm2 7.845 CV 1 ASSI {10207} (( segid " " and resid 1183 and name HB1 )) (( segid " " and resid 1183 and name HA )) 2.700 0.900 0.900 peak 10207 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 1.972 ppm2 3.899 CV 1 ASSI {10208} ( segid " " and resid 1149 and name HG2%) (( segid " " and resid 1149 and name HA )) 2.500 0.800 0.800 peak 10208 spectrum 1 weight 0.10000E+01 volume 0.37452E-02 ppm1 0.825 ppm2 3.456 CV 1 ASSI {10210} ( segid " " and resid 1177 and name HG2%) (( segid " " and resid 1177 and name HA )) 2.600 0.800 0.800 peak 10210 spectrum 1 weight 0.10000E+01 volume 0.29302E-02 ppm1 0.817 ppm2 3.339 CV 1 ASSI {10213} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1133 and name HA )) 2.900 1.100 1.100 peak 10213 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 0.766 ppm2 4.095 CV 1 ASSI {10215} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1120 and name HG12)) 2.800 1.000 1.000 peak 10215 spectrum 1 weight 0.10000E+01 volume 0.18690E-02 ppm1 4.433 ppm2 1.445 CV 1 ASSI {10218} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1120 and name HG11)) 2.600 0.800 0.800 peak 10218 spectrum 1 weight 0.10000E+01 volume 0.30462E-02 ppm1 4.435 ppm2 1.101 CV 1 ASSI {10220} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1121 and name HD2 )) 1.800 0.400 0.400 peak 10220 spectrum 1 weight 0.10000E+01 volume 0.22613E-01 ppm1 4.434 ppm2 3.853 CV 1 ASSI {10221} (( segid " " and resid 1120 and name HB )) (( segid " " and resid 1120 and name HA )) 2.400 0.700 0.700 peak 10221 spectrum 1 weight 0.10000E+01 volume 0.45566E-02 ppm1 1.794 ppm2 4.423 CV 1 ASSI {10222} (( segid " " and resid 1120 and name HB )) (( segid " " and resid 1121 and name HD2 )) 2.700 2.700 3.300 peak 10222 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 1.795 ppm2 3.852 CV 1 ASSI {10223} (( segid " " and resid 1120 and name HB )) (( segid " " and resid 1121 and name HD1 )) 2.600 2.600 3.400 peak 10223 spectrum 1 weight 0.10000E+01 volume 0.28180E-02 ppm1 1.794 ppm2 3.610 CV 1 ASSI {10224} (( segid " " and resid 1120 and name HB )) (( segid " " and resid 1120 and name HG12)) 2.400 0.700 0.700 peak 10224 spectrum 1 weight 0.10000E+01 volume 0.48500E-02 ppm1 1.794 ppm2 1.449 CV 1 ASSI {10231} (( segid " " and resid 1120 and name HG12)) ( segid " " and resid 1120 and name HD1%) 2.300 0.600 0.600 peak 10231 spectrum 1 weight 0.10000E+01 volume 0.65126E-02 ppm1 1.442 ppm2 0.789 CV 1 ASSI {10233} ( segid " " and resid 1120 and name HG2%) (( segid " " and resid 1120 and name HA )) 2.400 0.700 0.700 peak 10233 spectrum 1 weight 0.10000E+01 volume 0.49732E-02 ppm1 0.910 ppm2 4.421 CV 1 ASSI {10240} (( segid " " and resid 1137 and name HA )) (( segid " " and resid 1137 and name HG11)) 2.900 1.100 1.100 peak 10240 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 3.647 ppm2 1.014 CV 1 ASSI {10241} (( segid " " and resid 1180 and name HA )) (( segid " " and resid 1180 and name HB )) 2.800 1.000 1.000 peak 10241 spectrum 1 weight 0.10000E+01 volume 0.18979E-02 ppm1 3.663 ppm2 1.739 CV 1 ASSI {10243} (( segid " " and resid 1179 and name HA )) (( segid " " and resid 1179 and name HB )) 3.000 1.100 1.100 peak 10243 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 3.721 ppm2 1.963 CV 1 ASSI {10247} (( segid " " and resid 1180 and name HG12)) (( segid " " and resid 1180 and name HG11)) 2.600 0.800 0.800 peak 10247 spectrum 1 weight 0.10000E+01 volume 0.30063E-02 ppm1 1.804 ppm2 0.871 CV 1 ASSI {10249} (( segid " " and resid 1179 and name HG12)) (( segid " " and resid 1179 and name HG11)) 2.500 0.800 0.800 peak 10249 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 1.751 ppm2 1.061 CV 1 ASSI {10254} (( segid " " and resid 1168 and name HB1 )) (( segid " " and resid 1169 and name HN )) 3.000 1.100 1.100 peak 10254 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.167 ppm2 8.236 CV 1 ASSI {10262} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1177 and name HA )) 3.300 1.300 1.300 peak 10262 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 0.895 ppm2 3.321 CV 1 ASSI {10263} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1180 and name HA )) 2.600 0.900 0.900 peak 10263 spectrum 1 weight 0.10000E+01 volume 0.25536E-02 ppm1 0.892 ppm2 3.651 CV 1 ASSI {10270} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1134 and name HN )) 3.200 3.200 2.800 peak 10270 spectrum 1 weight 0.10000E+01 volume 0.85482E-03 ppm1 0.696 ppm2 7.842 CV 1 ASSI {10272} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1180 and name HA )) 2.800 1.000 1.000 peak 10272 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 0.699 ppm2 3.653 CV 1 ASSI {10273} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1177 and name HA )) 3.000 1.100 1.100 peak 10273 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 0.702 ppm2 3.326 CV 1 ASSI {10274} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1138 and name HG2 )) 2.800 1.000 1.000 peak 10274 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 0.696 ppm2 2.350 CV 1 ASSI {10275} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1134 and name HG2 )) 3.100 3.100 2.900 peak 10275 spectrum 1 weight 0.10000E+01 volume 0.10722E-02 ppm1 0.698 ppm2 2.517 CV 1 ASSI {10281} (( segid " " and resid 1178 and name HB1 )) (( segid " " and resid 1178 and name HB2 )) 2.100 0.600 0.600 peak 10281 spectrum 1 weight 0.10000E+01 volume 0.90154E-02 ppm1 2.634 ppm2 2.786 CV 1 ASSI {10294} (( segid " " and resid 1172 and name HA )) (( segid " " and resid 1175 and name HN )) 3.300 1.400 1.400 peak 10294 spectrum 1 weight 0.10000E+01 volume 0.69182E-03 ppm1 4.358 ppm2 7.950 CV 1 ASSI {10297} (( segid " " and resid 1178 and name HB2 )) (( segid " " and resid 1175 and name HA )) 3.000 1.200 1.200 peak 10297 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 2.827 ppm2 3.889 CV 1 ASSI {10298} (( segid " " and resid 1178 and name HB1 )) (( segid " " and resid 1175 and name HA )) 2.800 1.000 1.000 peak 10298 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 2.636 ppm2 3.914 CV 1 ASSI {10307} (( segid " " and resid 1172 and name HB2 )) (( segid " " and resid 1171 and name HB1 )) 3.200 3.200 2.800 peak 10307 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 2.771 ppm2 2.137 CV 1 ASSI {10308} (( segid " " and resid 1172 and name HB1 )) (( segid " " and resid 1171 and name HB1 )) 3.200 1.200 1.200 peak 10308 spectrum 1 weight 0.10000E+01 volume 0.88017E-03 ppm1 2.636 ppm2 2.143 CV 1 ASSI {10314} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1142 and name HN )) 3.200 1.300 1.300 peak 10314 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 0.733 ppm2 8.463 CV 1 ASSI {10320} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1138 and name HG2 )) 3.100 1.200 1.200 peak 10320 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 0.727 ppm2 2.329 CV 1 ASSI {10322} (( segid " " and resid 1176 and name HE2 )) (( segid " " and resid 1176 and name HA )) 2.900 2.900 3.100 peak 10322 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 2.837 ppm2 3.884 CV 1 ASSI {10333} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HA )) 3.000 1.100 1.100 peak 10333 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 1.556 ppm2 3.880 CV 1 ASSI {10347} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1168 and name HG2 )) 3.100 1.200 1.200 peak 10347 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 3.930 ppm2 2.390 CV 1 ASSI {10351} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1165 and name HB )) 3.000 1.100 1.100 peak 10351 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.933 ppm2 4.181 CV 1 ASSI {10353} (( segid " " and resid 1175 and name HB )) (( segid " " and resid 1175 and name HA )) 2.800 1.000 1.000 peak 10353 spectrum 1 weight 0.10000E+01 volume 0.17242E-02 ppm1 4.318 ppm2 3.913 CV 1 ASSI {10356} ( segid " " and resid 1175 and name HG2%) (( segid " " and resid 1175 and name HB )) 2.100 0.600 0.600 peak 10356 spectrum 1 weight 0.10000E+01 volume 0.10247E-01 ppm1 1.228 ppm2 4.302 CV 1 ASSI {10362} ( segid " " and resid 1165 and name HG2%) (( segid " " and resid 1169 and name HB2 )) 2.700 2.700 3.300 peak 10362 spectrum 1 weight 0.10000E+01 volume 0.22566E-02 ppm1 1.218 ppm2 2.183 CV 1 ASSI {10363} ( segid " " and resid 1165 and name HG2%) (( segid " " and resid 1169 and name HB1 )) 2.300 0.700 0.700 peak 10363 spectrum 1 weight 0.10000E+01 volume 0.55671E-02 ppm1 1.217 ppm2 1.990 CV 1 ASSI {10374} (( segid " " and resid 1146 and name HB2 )) (( segid " " and resid 1146 and name HG2 )) 2.800 1.000 1.000 peak 10374 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 2.288 ppm2 2.544 CV 1 ASSI {10377} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1161 and name HA )) 2.500 0.800 0.800 peak 10377 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 1.842 ppm2 3.953 CV 1 ASSI {10378} (( segid " " and resid 1161 and name HB1 )) (( segid " " and resid 1161 and name HA )) 2.500 0.800 0.800 peak 10378 spectrum 1 weight 0.10000E+01 volume 0.37308E-02 ppm1 1.800 ppm2 3.955 CV 1 ASSI {10379} (( segid " " and resid 1133 and name HB2 )) (( segid " " and resid 1133 and name HA )) 2.500 0.800 0.800 peak 10379 spectrum 1 weight 0.10000E+01 volume 0.39191E-02 ppm1 1.932 ppm2 4.085 CV 1 OR {10379} (( segid " " and resid 1133 and name HB1 )) (( segid " " and resid 1133 and name HA )) ASSI {10382} (( segid " " and resid 1174 and name HG2 )) (( segid " " and resid 1174 and name HA )) 3.200 1.300 1.300 peak 10382 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 1.654 ppm2 3.807 CV 1 ASSI {10388} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1176 and name HB1 )) 3.200 1.300 1.300 peak 10388 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 4.297 ppm2 1.704 CV 1 ASSI {10390} (( segid " " and resid 1170 and name HB2 )) ( segid " " and resid 1170 and name HD2%) 3.300 1.300 1.300 peak 10390 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 2.065 ppm2 1.014 CV 1 ASSI {10391} (( segid " " and resid 1170 and name HB1 )) ( segid " " and resid 1170 and name HD2%) 3.200 1.300 1.300 peak 10391 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 1.465 ppm2 1.013 CV 1 ASSI {10396} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1142 and name HG1 )) 2.400 0.700 0.700 peak 10396 spectrum 1 weight 0.10000E+01 volume 0.49406E-02 ppm1 1.025 ppm2 1.233 CV 1 OR {10396} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1142 and name HG2 )) ASSI {10398} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1142 and name HE2 )) 2.800 1.000 1.000 peak 10398 spectrum 1 weight 0.10000E+01 volume 0.19813E-02 ppm1 1.025 ppm2 2.917 CV 1 ASSI {10402} (( segid " " and resid 1169 and name HB2 )) ( segid " " and resid 1145 and name HB% ) 3.100 1.200 1.200 peak 10402 spectrum 1 weight 0.10000E+01 volume 0.10722E-02 ppm1 2.207 ppm2 1.511 CV 1 ASSI {10404} (( segid " " and resid 1169 and name HB1 )) (( segid " " and resid 1169 and name HG2 )) 2.900 1.000 1.000 peak 10404 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 2.014 ppm2 2.677 CV 1 ASSI {10407} (( segid " " and resid 1169 and name HB1 )) (( segid " " and resid 1169 and name HG1 )) 3.000 1.100 1.100 peak 10407 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.026 ppm2 2.429 CV 1 ASSI {10408} (( segid " " and resid 1169 and name HB1 )) (( segid " " and resid 1169 and name HB2 )) 2.200 0.600 0.600 peak 10408 spectrum 1 weight 0.10000E+01 volume 0.72587E-02 ppm1 2.013 ppm2 2.195 CV 1 ASSI {10409} (( segid " " and resid 1169 and name HB1 )) ( segid " " and resid 1145 and name HB% ) 2.800 2.800 3.200 peak 10409 spectrum 1 weight 0.10000E+01 volume 0.17604E-02 ppm1 2.015 ppm2 1.511 CV 1 ASSI {10410} (( segid " " and resid 1169 and name HG2 )) ( segid " " and resid 1165 and name HG2%) 2.800 1.000 1.000 peak 10410 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 2.702 ppm2 1.207 CV 1 ASSI {10415} (( segid " " and resid 1169 and name HG2 )) (( segid " " and resid 1169 and name HG1 )) 2.100 0.500 0.500 peak 10415 spectrum 1 weight 0.10000E+01 volume 0.11794E-01 ppm1 2.695 ppm2 2.415 CV 1 ASSI {10416} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1179 and name HA )) 2.800 1.000 1.000 peak 10416 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 2.664 ppm2 3.704 CV 1 ASSI {10420} ( segid " " and resid 1197 and name HB% ) (( segid " " and resid 1197 and name HA )) 2.700 0.900 0.900 peak 10420 spectrum 1 weight 0.10000E+01 volume 0.25137E-02 ppm1 1.321 ppm2 4.224 CV 1 ASSI {10422} (( segid " " and resid 1169 and name HG2 )) (( segid " " and resid 1170 and name HN )) 3.200 1.300 1.300 peak 10422 spectrum 1 weight 0.10000E+01 volume 0.79324E-03 ppm1 2.690 ppm2 8.374 CV 1 ASSI {10423} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1186 and name HD2 )) 3.200 1.300 1.300 peak 10423 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 2.662 ppm2 3.124 CV 1 OR {10423} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1186 and name HD1 )) ASSI {10425} (( segid " " and resid 1169 and name HG1 )) ( segid " " and resid 1165 and name HG2%) 3.100 3.100 2.900 peak 10425 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 2.430 ppm2 1.195 CV 1 ASSI {10428} (( segid " " and resid 1169 and name HG1 )) (( segid " " and resid 1169 and name HB2 )) 2.700 0.900 0.900 peak 10428 spectrum 1 weight 0.10000E+01 volume 0.24776E-02 ppm1 2.433 ppm2 2.209 CV 1 ASSI {10430} (( segid " " and resid 1169 and name HG1 )) (( segid " " and resid 1169 and name HA )) 2.500 2.500 3.500 peak 10430 spectrum 1 weight 0.10000E+01 volume 0.35026E-02 ppm1 2.432 ppm2 4.109 CV 1 ASSI {10431} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1182 and name HA )) 2.500 2.500 3.500 peak 10431 spectrum 1 weight 0.10000E+01 volume 0.36728E-02 ppm1 2.536 ppm2 4.149 CV 1 ASSI {10432} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1179 and name HA )) 2.900 1.100 1.100 peak 10432 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 2.538 ppm2 3.704 CV 1 ASSI {10433} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1186 and name HD2 )) 3.200 3.200 2.800 peak 10433 spectrum 1 weight 0.10000E+01 volume 0.82946E-03 ppm1 2.534 ppm2 3.130 CV 1 OR {10433} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1186 and name HD1 )) ASSI {10434} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1182 and name HB2 )) 2.100 0.500 0.500 peak 10434 spectrum 1 weight 0.10000E+01 volume 0.11579E-01 ppm1 2.535 ppm2 2.228 CV 1 OR {10434} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1182 and name HB1 )) ASSI {10435} (( segid " " and resid 1182 and name HG1 )) ( segid " " and resid 1182 and name HE% ) 2.700 0.900 0.900 peak 10435 spectrum 1 weight 0.10000E+01 volume 0.22131E-02 ppm1 2.535 ppm2 2.034 CV 1 ASSI {10439} (( segid " " and resid 1182 and name HG1 )) ( segid " " and resid 1179 and name HG2%) 2.900 1.000 1.000 peak 10439 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 2.538 ppm2 0.828 CV 1 ASSI {10440} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1182 and name HN )) 2.700 0.900 0.900 peak 10440 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 2.535 ppm2 7.783 CV 1 ASSI {10441} (( segid " " and resid 1182 and name HG1 )) (( segid " " and resid 1183 and name HN )) 3.000 1.200 1.200 peak 10441 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 2.534 ppm2 8.277 CV 1 ASSI {10448} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 1169 and name HG1 )) 2.300 2.300 3.700 peak 10448 spectrum 1 weight 0.10000E+01 volume 0.54621E-02 ppm1 2.008 ppm2 2.431 CV 1 ASSI {10449} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 1169 and name HG2 )) 2.400 0.700 0.700 peak 10449 spectrum 1 weight 0.10000E+01 volume 0.47812E-02 ppm1 2.007 ppm2 2.680 CV 1 ASSI {10452} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 10452 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 2.007 ppm2 4.290 CV 1 ASSI {10453} ( segid " " and resid 1169 and name HE% ) ( segid " " and resid 64 and name HD% ) 3.200 3.200 2.800 peak 10453 spectrum 1 weight 0.10000E+01 volume 0.85482E-03 ppm1 2.009 ppm2 7.083 CV 1 ASSI {10455} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 1170 and name HN )) 3.100 3.100 2.900 peak 10455 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 2.006 ppm2 8.372 CV 1 ASSI {10460} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1179 and name HA )) 2.600 2.600 3.400 peak 10460 spectrum 1 weight 0.10000E+01 volume 0.29339E-02 ppm1 2.051 ppm2 3.707 CV 1 ASSI {10463} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1183 and name HN )) 3.100 1.200 1.200 peak 10463 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 2.052 ppm2 8.264 CV 1 ASSI {10464} ( segid " " and resid 1179 and name HD1%) ( segid " " and resid 1175 and name HG2%) 2.100 0.600 0.600 peak 10464 spectrum 1 weight 0.10000E+01 volume 0.10319E-01 ppm1 0.785 ppm2 1.212 CV 1 ASSI {10465} (( segid " " and resid 1176 and name HB1 )) (( segid " " and resid 1176 and name HG1 )) 2.300 0.700 0.700 peak 10465 spectrum 1 weight 0.10000E+01 volume 0.54331E-02 ppm1 1.724 ppm2 1.314 CV 1 ASSI {10469} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1182 and name HN )) 2.700 0.900 0.900 peak 10469 spectrum 1 weight 0.10000E+01 volume 0.22058E-02 ppm1 2.667 ppm2 7.783 CV 1 ASSI {10472} ( segid " " and resid 1162 and name HD1%) ( segid " " and resid 1148 and name HE% ) 2.900 1.100 1.100 peak 10472 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 0.630 ppm2 1.941 CV 1 ASSI {10473} (( segid " " and resid 1161 and name HB2 )) (( segid " " and resid 1161 and name HN )) 3.300 1.400 1.400 peak 10473 spectrum 1 weight 0.10000E+01 volume 0.65922E-03 ppm1 1.839 ppm2 8.109 CV 1 ASSI {10479} (( segid " " and resid 1167 and name HB2 )) ( segid " " and resid 1166 and name HB% ) 3.000 3.000 3.000 peak 10479 spectrum 1 weight 0.10000E+01 volume 0.13149E-02 ppm1 2.309 ppm2 1.558 CV 1 ASSI {10480} (( segid " " and resid 1192 and name HB1 )) (( segid " " and resid 1192 and name HN )) 3.100 1.200 1.200 peak 10480 spectrum 1 weight 0.10000E+01 volume 0.96349E-03 ppm1 1.990 ppm2 7.987 CV 1 ASSI {10481} (( segid " " and resid 1132 and name HB2 )) (( segid " " and resid 1132 and name HN )) 3.000 1.200 1.200 peak 10481 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 2.131 ppm2 8.645 CV 1 ASSI {10484} ( segid " " and resid 1139 and name HD1%) (( segid " " and resid 1139 and name HG )) 1.900 0.500 0.500 peak 10484 spectrum 1 weight 0.10000E+01 volume 0.16387E-01 ppm1 0.816 ppm2 1.714 CV 1 ASSI {10485} (( segid " " and resid 1134 and name HB2 )) (( segid " " and resid 1134 and name HN )) 2.700 0.900 0.900 peak 10485 spectrum 1 weight 0.10000E+01 volume 0.21950E-02 ppm1 2.235 ppm2 7.845 CV 1 ASSI {10492} ( segid " " and resid 1164 and name HD1%) (( segid " " and resid 187 and name HD2 )) 2.900 1.100 1.100 peak 10492 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 0.830 ppm2 3.140 CV 1 OR {10492} ( segid " " and resid 1164 and name HD1%) (( segid " " and resid 187 and name HD1 )) ASSI {10495} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1167 and name HE22)) 2.800 1.000 1.000 peak 10495 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 0.886 ppm2 7.073 CV 1 ASSI {10497} ( segid " " and resid 1163 and name HD1%) (( segid " " and resid 1167 and name HE22)) 3.200 1.300 1.300 peak 10497 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 0.793 ppm2 7.081 CV 1 ASSI {10498} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1163 and name HN )) 2.800 2.800 3.200 peak 10498 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 0.884 ppm2 7.708 CV 1 ASSI {10504} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 1162 and name HN )) 2.900 1.000 1.000 peak 10504 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 0.624 ppm2 7.669 CV 1 ASSI {10505} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1171 and name HN )) 2.700 0.900 0.900 peak 10505 spectrum 1 weight 0.10000E+01 volume 0.22711E-02 ppm1 0.903 ppm2 7.855 CV 1 ASSI {10507} (( segid " " and resid 1134 and name HB2 )) (( segid " " and resid 1131 and name HA )) 2.800 2.800 3.200 peak 10507 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 2.237 ppm2 4.073 CV 1 ASSI {10509} ( segid " " and resid 1190 and name HB% ) (( segid " " and resid 1191 and name HA )) 3.100 1.200 1.200 peak 10509 spectrum 1 weight 0.10000E+01 volume 0.90915E-03 ppm1 1.382 ppm2 4.491 CV 1 ASSI {10510} (( segid " " and resid 1172 and name HB2 )) (( segid " " and resid 1172 and name HA )) 2.700 0.900 0.900 peak 10510 spectrum 1 weight 0.10000E+01 volume 0.22711E-02 ppm1 2.782 ppm2 4.352 CV 1 ASSI {10522} (( segid " " and resid 1161 and name HG1 )) (( segid " " and resid 1161 and name HA )) 2.600 0.800 0.800 peak 10522 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 1.321 ppm2 3.949 CV 1 ASSI {10525} (( segid " " and resid 1196 and name HB1 )) (( segid " " and resid 1196 and name HA )) 2.300 0.700 0.700 peak 10525 spectrum 1 weight 0.10000E+01 volume 0.61105E-02 ppm1 1.923 ppm2 4.219 CV 1 ASSI {10526} (( segid " " and resid 1174 and name HD2 )) (( segid " " and resid 1174 and name HN )) 3.300 1.300 1.300 peak 10526 spectrum 1 weight 0.10000E+01 volume 0.71717E-03 ppm1 1.566 ppm2 8.389 CV 1 OR {10526} (( segid " " and resid 1174 and name HD1 )) (( segid " " and resid 1174 and name HN )) ASSI {10527} (( segid " " and resid 1167 and name HB2 )) (( segid " " and resid 1167 and name HA )) 2.800 1.000 1.000 peak 10527 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 2.317 ppm2 3.920 CV 1 ASSI {10528} (( segid " " and resid 1178 and name HB1 )) (( segid " " and resid 1178 and name HA )) 2.500 0.800 0.800 peak 10528 spectrum 1 weight 0.10000E+01 volume 0.37199E-02 ppm1 2.631 ppm2 4.349 CV 1 ASSI {10535} (( segid " " and resid 1182 and name HB1 )) (( segid " " and resid 1182 and name HG2 )) 2.200 0.600 0.600 peak 10535 spectrum 1 weight 0.10000E+01 volume 0.80193E-02 ppm1 2.245 ppm2 2.657 CV 1 OR {10535} (( segid " " and resid 1182 and name HB2 )) (( segid " " and resid 1182 and name HG2 )) ASSI {10789} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1170 and name HB2 )) 2.200 0.600 0.600 peak 10789 spectrum 1 weight 0.10000E+01 volume 0.75086E-02 ppm1 0.902 ppm2 2.057 CV 1 ASSI {10832} ( segid " " and resid 1170 and name HD1%) ( segid " " and resid 1170 and name HD2%) 2.400 0.700 0.700 peak 10832 spectrum 1 weight 0.10000E+01 volume 0.43574E-02 ppm1 0.904 ppm2 1.067 CV 1 ASSI {11091} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1146 and name HB2 )) 3.100 3.100 2.900 peak 11091 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 1.025 ppm2 2.286 CV 1 ASSI {11096} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1128 and name HA )) 2.700 0.900 0.900 peak 11096 spectrum 1 weight 0.10000E+01 volume 0.24847E-02 ppm1 0.891 ppm2 3.455 CV 1 ASSI {11097} ( segid " " and resid 1139 and name HD1%) (( segid " " and resid 1139 and name HB1 )) 2.100 0.600 0.600 peak 11097 spectrum 1 weight 0.10000E+01 volume 0.93088E-02 ppm1 0.813 ppm2 1.370 CV 1 ASSI {11101} ( segid " " and resid 1135 and name HD1%) (( segid " " and resid 1136 and name HN )) 2.800 0.900 0.900 peak 11101 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 0.818 ppm2 7.653 CV 1 ASSI {12485} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1133 and name HE1 )) 2.400 0.700 0.700 peak 12485 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 1.368 ppm2 2.889 CV 1 OR {12485} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1133 and name HE2 )) ASSI {12486} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1133 and name HB1 )) 2.300 0.700 0.700 peak 12486 spectrum 1 weight 0.10000E+01 volume 0.55708E-02 ppm1 1.367 ppm2 1.930 CV 1 OR {12486} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1133 and name HB2 )) ASSI {12487} (( segid " " and resid 1161 and name HG1 )) (( segid " " and resid 1161 and name HE1 )) 2.500 0.800 0.800 peak 12487 spectrum 1 weight 0.10000E+01 volume 0.39626E-02 ppm1 1.320 ppm2 2.894 CV 1 OR {12487} (( segid " " and resid 1161 and name HG1 )) (( segid " " and resid 1161 and name HE2 )) ASSI {12489} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HG1 )) 2.200 0.600 0.600 peak 12489 spectrum 1 weight 0.10000E+01 volume 0.76644E-02 ppm1 1.549 ppm2 1.311 CV 1 ASSI {12490} (( segid " " and resid 1176 and name HG1 )) (( segid " " and resid 1176 and name HA )) 2.700 0.900 0.900 peak 12490 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 1.318 ppm2 3.875 CV 1 ASSI {12492} (( segid " " and resid 1176 and name HG1 )) (( segid " " and resid 1176 and name HB2 )) 2.600 0.800 0.800 peak 12492 spectrum 1 weight 0.10000E+01 volume 0.30209E-02 ppm1 1.318 ppm2 1.895 CV 1 ASSI {12495} (( segid " " and resid 1120 and name HG12)) (( segid " " and resid 1121 and name HD1 )) 3.100 1.200 1.200 peak 12495 spectrum 1 weight 0.10000E+01 volume 0.90915E-03 ppm1 1.449 ppm2 3.610 CV 1 ASSI {12497} (( segid " " and resid 1127 and name HG1 )) (( segid " " and resid 1127 and name HD1 )) 2.100 0.500 0.500 peak 12497 spectrum 1 weight 0.10000E+01 volume 0.10852E-01 ppm1 1.536 ppm2 3.170 CV 1 OR {12497} (( segid " " and resid 1127 and name HG1 )) (( segid " " and resid 1127 and name HD2 )) ASSI {12498} (( segid " " and resid 1127 and name HG2 )) (( segid " " and resid 1127 and name HD2 )) 2.000 0.500 0.500 peak 12498 spectrum 1 weight 0.10000E+01 volume 0.13927E-01 ppm1 1.650 ppm2 3.170 CV 1 OR {12498} (( segid " " and resid 1127 and name HG2 )) (( segid " " and resid 1127 and name HD1 )) ASSI {12500} (( segid " " and resid 1160 and name HG2 )) (( segid " " and resid 1160 and name HA )) 2.600 0.800 0.800 peak 12500 spectrum 1 weight 0.10000E+01 volume 0.31005E-02 ppm1 1.662 ppm2 3.969 CV 1 OR {12500} (( segid " " and resid 1160 and name HG1 )) (( segid " " and resid 1160 and name HA )) ASSI {12501} (( segid " " and resid 1160 and name HG1 )) (( segid " " and resid 1160 and name HD2 )) 2.000 0.500 0.500 peak 12501 spectrum 1 weight 0.10000E+01 volume 0.13109E-01 ppm1 1.664 ppm2 3.169 CV 1 OR {12501} (( segid " " and resid 1160 and name HG2 )) (( segid " " and resid 1160 and name HD1 )) OR {12501} (( segid " " and resid 1160 and name HG2 )) (( segid " " and resid 1160 and name HD2 )) ASSI {12502} (( segid " " and resid 1121 and name HG2 )) (( segid " " and resid 1121 and name HB2 )) 2.500 0.800 0.800 peak 12502 spectrum 1 weight 0.10000E+01 volume 0.37417E-02 ppm1 1.991 ppm2 2.244 CV 1 ASSI {12504} (( segid " " and resid 1189 and name HB1 )) (( segid " " and resid 1189 and name HA )) 2.200 0.600 0.600 peak 12504 spectrum 1 weight 0.10000E+01 volume 0.85047E-02 ppm1 2.085 ppm2 4.140 CV 1 OR {12504} (( segid " " and resid 1189 and name HB2 )) (( segid " " and resid 1189 and name HA )) ASSI {12510} (( segid " " and resid 1182 and name HG2 )) (( segid " " and resid 1183 and name HN )) 2.800 1.000 1.000 peak 12510 spectrum 1 weight 0.10000E+01 volume 0.17060E-02 ppm1 2.667 ppm2 8.285 CV 1 ASSI {12511} (( segid " " and resid 1182 and name HG2 )) ( segid " " and resid 1179 and name HG2%) 2.800 1.000 1.000 peak 12511 spectrum 1 weight 0.10000E+01 volume 0.16951E-02 ppm1 2.670 ppm2 0.829 CV 1 ASSI {12512} (( segid " " and resid 1121 and name HB2 )) (( segid " " and resid 1121 and name HD1 )) 2.900 1.100 1.100 peak 12512 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 2.255 ppm2 3.633 CV 1 ASSI { 317} (( segid " " and resid 1191 and name HB1 )) ( segid " " and resid 1188 and name HD1%) 3.000 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 2.597 ppm2 0.843 CV 1 OR { 317} (( segid " " and resid 1191 and name HB1 )) ( segid " " and resid 1188 and name HD2%) ASSI { 400} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1188 and name HB2 )) 2.600 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 4.101 ppm2 1.714 CV 1 OR { 400} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1188 and name HG )) ASSI { 952} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1176 and name HG1 )) 3.000 1.200 1.200 peak 952 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 0.711 ppm2 1.286 CV 1 ASSI { 1488} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1135 and name HN )) 2.700 2.700 3.300 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.25173E-02 ppm1 1.490 ppm2 8.646 CV 1 ASSI { 1577} (( segid " " and resid 1120 and name HA )) (( segid " " and resid 1121 and name HG1 )) 2.900 2.900 3.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.14380E-02 ppm1 4.433 ppm2 1.944 CV 1 ASSI { 1778} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1138 and name HN )) 2.900 2.900 3.100 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.13728E-02 ppm1 1.490 ppm2 8.191 CV 1 ASSI { 1855} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1133 and name HE2 )) 3.000 1.100 1.100 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 1.481 ppm2 2.885 CV 1 OR { 1855} ( segid " " and resid 1136 and name HB% ) (( segid " " and resid 1133 and name HE1 )) ASSI { 1867} ( segid " " and resid 1145 and name HB% ) (( segid " " and resid 1169 and name HG1 )) 2.900 1.100 1.100 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 1.503 ppm2 2.423 CV 1 ASSI { 1889} ( segid " " and resid 1145 and name HB% ) ( segid " " and resid 1170 and name HD2%) 2.400 0.700 0.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.42270E-02 ppm1 1.499 ppm2 1.001 CV 1 ASSI { 1914} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1164 and name HB1 )) 2.300 0.600 0.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.62663E-02 ppm1 1.769 ppm2 1.563 CV 1 ASSI { 1924} (( segid " " and resid 1161 and name HE2 )) (( segid " " and resid 1161 and name HB2 )) 2.200 0.600 0.600 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.75919E-02 ppm1 2.917 ppm2 1.849 CV 1 ASSI { 1927} (( segid " " and resid 1140 and name HE2 )) (( segid " " and resid 1140 and name HB1 )) 2.300 0.600 0.600 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.64727E-02 ppm1 2.913 ppm2 1.940 CV 1 ASSI { 1930} ( segid " " and resid 1164 and name HD1%) (( segid " " and resid 1169 and name HN )) 3.200 3.200 2.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 0.830 ppm2 8.248 CV 1 ASSI { 1935} (( segid " " and resid 1133 and name HE1 )) ( segid " " and resid 1137 and name HD1%) 2.200 0.600 0.600 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.87220E-02 ppm1 2.913 ppm2 0.793 CV 1 OR { 1935} (( segid " " and resid 1133 and name HE2 )) ( segid " " and resid 1137 and name HD1%) ASSI { 1966} (( segid " " and resid 1140 and name HD2 )) ( segid " " and resid 36 and name HG2%) 2.800 2.800 3.200 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 1.611 ppm2 0.664 CV 1 OR { 1966} (( segid " " and resid 1140 and name HD1 )) ( segid " " and resid 36 and name HG2%) ASSI { 2033} ( segid " " and resid 1148 and name HE% ) (( segid " " and resid 70 and name HB1 )) 2.900 1.100 1.100 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.14235E-02 ppm1 1.942 ppm2 1.517 CV 1 ASSI { 2083} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1146 and name HG1 )) 2.900 1.000 1.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 0.780 ppm2 2.130 CV 1 ASSI { 2117} (( segid " " and resid 1162 and name HB1 )) ( segid " " and resid 1162 and name HD1%) 2.900 1.000 1.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.15358E-02 ppm1 0.841 ppm2 0.624 CV 1 ASSI { 2137} (( segid " " and resid 1162 and name HG )) ( segid " " and resid 1162 and name HD1%) 2.300 0.600 0.600 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.65741E-02 ppm1 1.368 ppm2 0.616 CV 1 OR { 2137} (( segid " " and resid 1162 and name HG )) ( segid " " and resid 1162 and name HD2%) ASSI { 2148} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 5 and name HD2 )) 2.900 1.100 1.100 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 0.624 ppm2 1.574 CV 1 OR { 2148} ( segid " " and resid 1162 and name HD1%) (( segid " " and resid 5 and name HD1 )) ASSI { 2204} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1183 and name HG1 )) 2.500 0.800 0.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.33830E-02 ppm1 0.845 ppm2 2.292 CV 1 OR { 2204} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1183 and name HB2 )) ASSI { 2259} ( segid " " and resid 1163 and name HD1%) (( segid " " and resid 1167 and name HG2 )) 3.100 1.200 1.200 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 0.796 ppm2 2.547 CV 1 ASSI { 2372} (( segid " " and resid 1165 and name HB )) ( segid " " and resid 1162 and name HD1%) 3.000 1.100 1.100 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 4.225 ppm2 0.608 CV 1 ASSI { 2496} ( segid " " and resid 1169 and name HE% ) ( segid " " and resid 1165 and name HG2%) 2.300 0.700 0.700 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.53137E-02 ppm1 2.006 ppm2 1.192 CV 1 ASSI { 2513} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1173 and name HB1 )) 2.800 0.900 0.900 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 4.311 ppm2 3.883 CV 1 ASSI { 2678} (( segid " " and resid 1121 and name HA )) (( segid " " and resid 1121 and name HB1 )) 2.300 0.700 0.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.58497E-02 ppm1 4.348 ppm2 1.849 CV 1 ASSI { 2710} (( segid " " and resid 1154 and name HB2 )) (( segid " " and resid 1154 and name HD22)) 3.100 1.200 1.200 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 2.763 ppm2 7.612 CV 1 OR { 2710} (( segid " " and resid 1154 and name HB1 )) (( segid " " and resid 1154 and name HD22)) OR { 2710} (( segid " " and resid 1154 and name HB1 )) (( segid " " and resid 1154 and name HN )) ASSI { 2749} (( segid " " and resid 1137 and name HB )) ( segid " " and resid 1137 and name HG2%) 2.200 0.600 0.600 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.68276E-02 ppm1 1.951 ppm2 0.795 CV 1 OR { 2749} (( segid " " and resid 1137 and name HB )) ( segid " " and resid 1137 and name HD1%) ASSI { 2759} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1170 and name HG )) 2.500 0.800 0.800 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.36909E-02 ppm1 0.784 ppm2 1.512 CV 1 OR { 2759} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1170 and name HB1 )) ASSI { 2932} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name HB2 )) 2.600 0.800 0.800 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 3.877 ppm2 1.703 CV 1 OR { 2932} (( segid " " and resid 1181 and name HA )) (( segid " " and resid 1184 and name HB1 )) ASSI { 2977} (( segid " " and resid 1150 and name HG1 )) (( segid " " and resid 1150 and name HE21)) 2.800 2.800 3.200 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 2.348 ppm2 6.735 CV 1 ASSI { 2978} (( segid " " and resid 1150 and name HG2 )) (( segid " " and resid 1150 and name HE21)) 2.900 1.000 1.000 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 2.428 ppm2 6.736 CV 1 ASSI { 2985} (( segid " " and resid 1150 and name HG1 )) (( segid " " and resid 1150 and name HE22)) 2.500 2.500 3.500 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.32128E-02 ppm1 2.351 ppm2 7.617 CV 1 ASSI { 3051} ( segid " " and resid 1145 and name HB% ) (( segid " " and resid 1145 and name HA )) 2.200 0.600 0.600 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.68639E-02 ppm1 1.507 ppm2 4.131 CV 1 ASSI { 3061} ( segid " " and resid 1152 and name HE% ) (( segid " " and resid 1152 and name HA )) 3.200 1.300 1.300 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.75340E-03 ppm1 6.692 ppm2 4.689 CV 1 ASSI { 3102} ( segid " " and resid 1152 and name HE% ) ( segid " " and resid 1151 and name HG2%) 2.700 0.900 0.900 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 6.675 ppm2 0.791 CV 1 ASSI { 3111} ( segid " " and resid 1152 and name HE% ) ( segid " " and resid 1162 and name HD1%) 2.800 1.000 1.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.18038E-02 ppm1 6.678 ppm2 0.630 CV 1 OR { 3111} ( segid " " and resid 1152 and name HE% ) ( segid " " and resid 1162 and name HD2%) ASSI { 3121} ( segid " " and resid 1152 and name HD% ) (( segid " " and resid 1163 and name HA )) 3.000 1.100 1.100 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 7.006 ppm2 3.897 CV 1 ASSI { 3126} ( segid " " and resid 1152 and name HD% ) ( segid " " and resid 1166 and name HB% ) 3.200 1.300 1.300 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 7.012 ppm2 1.561 CV 1 ASSI { 3205} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HB2 )) 2.100 0.500 0.500 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.10540E-01 ppm1 3.964 ppm2 1.813 CV 1 OR { 3205} (( segid " " and resid 1161 and name HA )) (( segid " " and resid 1161 and name HB1 )) ASSI { 3232} (( segid " " and resid 1183 and name HG1 )) (( segid " " and resid 1183 and name HN )) 2.700 0.900 0.900 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.21552E-02 ppm1 2.318 ppm2 8.273 CV 1 ASSI { 3251} (( segid " " and resid 1177 and name HA )) (( segid " " and resid 1177 and name HB )) 2.900 1.100 1.100 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 3.357 ppm2 1.833 CV 1 OR { 3251} (( segid " " and resid 1177 and name HA )) (( segid " " and resid 1177 and name HG12)) ASSI { 5370} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1166 and name HN )) 3.100 1.200 1.200 peak 5370 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 3.929 ppm2 8.202 CV 1 ASSI { 5753} ( segid " " and resid 1175 and name HG2%) (( segid " " and resid 1179 and name HN )) 2.800 1.000 1.000 peak 5753 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 1.231 ppm2 7.664 CV 1 ASSI { 5755} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1164 and name HN )) 2.700 0.900 0.900 peak 5755 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 1.775 ppm2 7.825 CV 1 ASSI { 5795} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1128 and name HB )) 2.900 1.100 1.100 peak 5795 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 3.457 ppm2 2.016 CV 1 ASSI { 5800} (( segid " " and resid 1138 and name HG1 )) ( segid " " and resid 1180 and name HD1%) 3.100 1.200 1.200 peak 5800 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 2.160 ppm2 0.726 CV 1 ASSI { 5806} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1149 and name HG12)) 2.700 0.900 0.900 peak 5806 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 1.586 ppm2 1.831 CV 1 ASSI { 5807} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1148 and name HB1 )) 2.700 0.900 0.900 peak 5807 spectrum 1 weight 0.10000E+01 volume 0.21153E-02 ppm1 1.588 ppm2 1.976 CV 1 OR { 5807} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1148 and name HB2 )) ASSI { 5811} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1167 and name HB2 )) 2.800 2.800 3.200 peak 5811 spectrum 1 weight 0.10000E+01 volume 0.16517E-02 ppm1 1.587 ppm2 2.286 CV 1 OR { 5811} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1167 and name HG1 )) ASSI { 5880} (( segid " " and resid 1121 and name HD1 )) (( segid " " and resid 1121 and name HG2 )) 2.300 0.600 0.600 peak 5880 spectrum 1 weight 0.10000E+01 volume 0.64582E-02 ppm1 3.620 ppm2 1.955 CV 1 ASSI { 5881} (( segid " " and resid 1121 and name HD1 )) (( segid " " and resid 1121 and name HB1 )) 2.500 0.800 0.800 peak 5881 spectrum 1 weight 0.10000E+01 volume 0.39879E-02 ppm1 3.620 ppm2 1.807 CV 1 ASSI { 5882} (( segid " " and resid 1121 and name HD2 )) (( segid " " and resid 1121 and name HG1 )) 2.200 0.600 0.600 peak 5882 spectrum 1 weight 0.10000E+01 volume 0.83888E-02 ppm1 3.869 ppm2 1.940 CV 1 ASSI { 5907} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 5 and name HD2 )) 2.900 1.100 1.100 peak 5907 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 0.630 ppm2 1.576 CV 1 OR { 5907} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 5 and name HD1 )) ASSI { 5909} ( segid " " and resid 1123 and name HG2%) (( segid " " and resid 1123 and name HB )) 1.800 0.400 0.400 peak 5909 spectrum 1 weight 0.10000E+01 volume 0.26344E-01 ppm1 1.154 ppm2 4.198 CV 1 OR { 5909} ( segid " " and resid 1123 and name HG2%) (( segid " " and resid 1123 and name HA )) ASSI { 5920} (( segid " " and resid 1124 and name HB1 )) (( segid " " and resid 1127 and name HB1 )) 3.100 1.200 1.200 peak 5920 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 2.746 ppm2 1.855 CV 1 OR { 5920} (( segid " " and resid 1124 and name HB1 )) (( segid " " and resid 1127 and name HB2 )) ASSI { 5921} (( segid " " and resid 1124 and name HB1 )) ( segid " " and resid 1120 and name HG2%) 3.000 1.100 1.100 peak 5921 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.744 ppm2 0.872 CV 1 ASSI { 5922} (( segid " " and resid 1124 and name HB2 )) ( segid " " and resid 1120 and name HG2%) 3.100 1.200 1.200 peak 5922 spectrum 1 weight 0.10000E+01 volume 0.99972E-03 ppm1 2.812 ppm2 0.869 CV 1 ASSI { 5924} (( segid " " and resid 1146 and name HG1 )) ( segid " " and resid 1170 and name HD1%) 3.000 1.100 1.100 peak 5924 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 2.144 ppm2 0.883 CV 1 ASSI { 5927} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1161 and name HB1 )) 3.000 1.100 1.100 peak 5927 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 0.634 ppm2 1.818 CV 1 OR { 5927} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1161 and name HB2 )) ASSI { 5931} ( segid " " and resid 1162 and name HD2%) (( segid " " and resid 1162 and name HA )) 2.600 0.900 0.900 peak 5931 spectrum 1 weight 0.10000E+01 volume 0.26007E-02 ppm1 0.636 ppm2 3.895 CV 1 ASSI { 5934} (( segid " " and resid 1193 and name HA )) ( segid " " and resid 1193 and name HD1%) 2.000 2.000 4.000 peak 5934 spectrum 1 weight 0.10000E+01 volume 0.13344E-01 ppm1 4.219 ppm2 0.799 CV 1 ASSI { 5937} (( segid " " and resid 1193 and name HA )) (( segid " " and resid 1193 and name HB1 )) 2.000 0.500 0.500 peak 5937 spectrum 1 weight 0.10000E+01 volume 0.12243E-01 ppm1 4.221 ppm2 1.542 CV 1 ASSI { 5941} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1192 and name HG2 )) 2.200 0.600 0.600 peak 5941 spectrum 1 weight 0.10000E+01 volume 0.86967E-02 ppm1 4.227 ppm2 2.304 CV 1 OR { 5941} (( segid " " and resid 1192 and name HA )) (( segid " " and resid 1192 and name HG1 )) ASSI { 5962} (( segid " " and resid 1149 and name HA )) ( segid " " and resid 1149 and name HG2%) 2.300 0.700 0.700 peak 5962 spectrum 1 weight 0.10000E+01 volume 0.53245E-02 ppm1 3.466 ppm2 0.825 CV 1 OR { 5962} (( segid " " and resid 1149 and name HA )) (( segid " " and resid 1149 and name HG11)) ASSI { 5969} (( segid " " and resid 1128 and name HA )) (( segid " " and resid 1131 and name HG )) 3.200 1.300 1.300 peak 5969 spectrum 1 weight 0.10000E+01 volume 0.84395E-03 ppm1 3.449 ppm2 1.715 CV 1 ASSI { 5991} ( segid " " and resid 1128 and name HG1%) (( segid " " and resid 1129 and name HA )) 2.700 0.900 0.900 peak 5991 spectrum 1 weight 0.10000E+01 volume 0.24051E-02 ppm1 0.821 ppm2 4.147 CV 1 ASSI { 5997} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name HB )) 2.300 0.700 0.700 peak 5997 spectrum 1 weight 0.10000E+01 volume 0.59004E-02 ppm1 0.793 ppm2 3.805 CV 1 OR { 5997} ( segid " " and resid 1151 and name HG2%) (( segid " " and resid 1151 and name HA )) ASSI { 6003} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1134 and name HA )) 2.300 0.600 0.600 peak 6003 spectrum 1 weight 0.10000E+01 volume 0.64112E-02 ppm1 0.774 ppm2 3.895 CV 1 ASSI { 6008} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1133 and name HG2 )) 2.400 0.700 0.700 peak 6008 spectrum 1 weight 0.10000E+01 volume 0.44190E-02 ppm1 0.769 ppm2 1.572 CV 1 ASSI { 6013} (( segid " " and resid 1131 and name HB2 )) ( segid " " and resid 1184 and name HD1%) 3.000 1.100 1.100 peak 6013 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 2.075 ppm2 0.868 CV 1 OR { 6013} (( segid " " and resid 1131 and name HB2 )) ( segid " " and resid 1184 and name HD2%) ASSI { 6069} (( segid " " and resid 1131 and name HB1 )) (( segid " " and resid 1131 and name HB2 )) 3.200 3.200 2.800 peak 6069 spectrum 1 weight 0.10000E+01 volume 0.83308E-03 ppm1 1.214 ppm2 2.052 CV 1 ASSI { 6114} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1135 and name HB2 )) 2.600 0.800 0.800 peak 6114 spectrum 1 weight 0.10000E+01 volume 0.30027E-02 ppm1 0.893 ppm2 2.029 CV 1 ASSI { 6136} (( segid " " and resid 1164 and name HA )) ( segid " " and resid 1164 and name HD2%) 2.200 0.600 0.600 peak 6136 spectrum 1 weight 0.10000E+01 volume 0.84830E-02 ppm1 4.098 ppm2 0.843 CV 1 ASSI { 6205} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1183 and name HB2 )) 2.900 1.000 1.000 peak 6205 spectrum 1 weight 0.10000E+01 volume 0.15032E-02 ppm1 0.694 ppm2 2.297 CV 1 ASSI { 6209} ( segid " " and resid 1131 and name HD1%) (( segid " " and resid 1131 and name HG )) 2.400 0.700 0.700 peak 6209 spectrum 1 weight 0.10000E+01 volume 0.49550E-02 ppm1 0.690 ppm2 1.698 CV 1 ASSI { 6230} (( segid " " and resid 1126 and name HB1 )) ( segid " " and resid 1129 and name HB% ) 2.900 2.900 3.100 peak 6230 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 3.883 ppm2 1.395 CV 1 ASSI { 6264} (( segid " " and resid 1132 and name HA )) ( segid " " and resid 1135 and name HD1%) 2.400 0.700 0.700 peak 6264 spectrum 1 weight 0.10000E+01 volume 0.47015E-02 ppm1 3.835 ppm2 0.831 CV 1 ASSI { 6337} (( segid " " and resid 1132 and name HA )) (( segid " " and resid 1132 and name HG1 )) 2.600 0.800 0.800 peak 6337 spectrum 1 weight 0.10000E+01 volume 0.30498E-02 ppm1 3.830 ppm2 2.079 CV 1 ASSI { 6502} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1134 and name HN )) 2.700 0.900 0.900 peak 6502 spectrum 1 weight 0.10000E+01 volume 0.24956E-02 ppm1 1.540 ppm2 7.824 CV 1 ASSI { 6613} (( segid " " and resid 1139 and name HA )) ( segid " " and resid 1139 and name HD1%) 2.200 0.600 0.600 peak 6613 spectrum 1 weight 0.10000E+01 volume 0.85699E-02 ppm1 3.953 ppm2 0.843 CV 1 ASSI { 6615} (( segid " " and resid 1135 and name HB2 )) ( segid " " and resid 1135 and name HD2%) 2.700 0.900 0.900 peak 6615 spectrum 1 weight 0.10000E+01 volume 0.24630E-02 ppm1 2.026 ppm2 0.850 CV 1 OR { 6615} (( segid " " and resid 1135 and name HB2 )) ( segid " " and resid 1135 and name HD1%) ASSI { 6641} (( segid " " and resid 1170 and name HB2 )) (( segid " " and resid 1170 and name HB1 )) 2.800 1.000 1.000 peak 6641 spectrum 1 weight 0.10000E+01 volume 0.19342E-02 ppm1 2.044 ppm2 1.510 CV 1 ASSI { 6652} (( segid " " and resid 1193 and name HB1 )) ( segid " " and resid 1193 and name HD2%) 1.900 0.400 0.400 peak 6652 spectrum 1 weight 0.10000E+01 volume 0.20062E-01 ppm1 1.527 ppm2 0.821 CV 1 ASSI { 6653} (( segid " " and resid 1169 and name HG2 )) ( segid " " and resid 1145 and name HB% ) 3.000 1.100 1.100 peak 6653 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 2.696 ppm2 1.506 CV 1 ASSI { 6682} (( segid " " and resid 1137 and name HA )) ( segid " " and resid 1137 and name HG2%) 2.400 0.700 0.700 peak 6682 spectrum 1 weight 0.10000E+01 volume 0.46617E-02 ppm1 3.644 ppm2 0.788 CV 1 ASSI { 6690} (( segid " " and resid 1179 and name HB )) (( segid " " and resid 1179 and name HG11)) 3.000 1.100 1.100 peak 6690 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 1.956 ppm2 1.063 CV 1 ASSI { 6695} (( segid " " and resid 1179 and name HB )) (( segid " " and resid 1179 and name HG12)) 2.700 0.900 0.900 peak 6695 spectrum 1 weight 0.10000E+01 volume 0.22094E-02 ppm1 1.956 ppm2 1.750 CV 1 ASSI { 6700} ( segid " " and resid 1177 and name HG2%) (( segid " " and resid 1181 and name HD2 )) 2.800 1.000 1.000 peak 6700 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 0.819 ppm2 3.120 CV 1 OR { 6700} ( segid " " and resid 1177 and name HG2%) (( segid " " and resid 1181 and name HD1 )) ASSI { 6724} ( segid " " and resid 1137 and name HG2%) (( segid " " and resid 1138 and name HA )) 2.700 0.900 0.900 peak 6724 spectrum 1 weight 0.10000E+01 volume 0.22312E-02 ppm1 0.816 ppm2 4.081 CV 1 ASSI { 6738} (( segid " " and resid 1179 and name HG11)) ( segid " " and resid 1179 and name HD1%) 2.300 0.700 0.700 peak 6738 spectrum 1 weight 0.10000E+01 volume 0.58461E-02 ppm1 1.089 ppm2 0.788 CV 1 ASSI { 6877} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1137 and name HB )) 2.100 0.600 0.600 peak 6877 spectrum 1 weight 0.10000E+01 volume 0.94720E-02 ppm1 0.773 ppm2 1.934 CV 1 ASSI { 6935} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1134 and name HB2 )) 2.900 1.100 1.100 peak 6935 spectrum 1 weight 0.10000E+01 volume 0.13655E-02 ppm1 0.776 ppm2 2.221 CV 1 ASSI { 7140} ( segid " " and resid 1137 and name HD1%) (( segid " " and resid 1133 and name HG1 )) 2.500 0.800 0.800 peak 7140 spectrum 1 weight 0.10000E+01 volume 0.38431E-02 ppm1 0.761 ppm2 1.361 CV 1 ASSI { 7166} (( segid " " and resid 1137 and name HG12)) ( segid " " and resid 1137 and name HG2%) 2.300 0.700 0.700 peak 7166 spectrum 1 weight 0.10000E+01 volume 0.55092E-02 ppm1 1.643 ppm2 0.811 CV 1 ASSI { 7254} (( segid " " and resid 1171 and name HA )) (( segid " " and resid 1174 and name HN )) 2.900 1.000 1.000 peak 7254 spectrum 1 weight 0.10000E+01 volume 0.16263E-02 ppm1 3.939 ppm2 8.382 CV 1 ASSI { 7293} (( segid " " and resid 1139 and name HB2 )) ( segid " " and resid 1139 and name HD2%) 2.400 0.700 0.700 peak 7293 spectrum 1 weight 0.10000E+01 volume 0.44154E-02 ppm1 1.848 ppm2 0.821 CV 1 ASSI { 7607} (( segid " " and resid 1139 and name HB1 )) (( segid " " and resid 1139 and name HA )) 2.900 1.100 1.100 peak 7607 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 1.378 ppm2 3.947 CV 1 ASSI { 7728} (( segid " " and resid 1139 and name HB1 )) ( segid " " and resid 1139 and name HD1%) 2.400 0.700 0.700 peak 7728 spectrum 1 weight 0.10000E+01 volume 0.42813E-02 ppm1 1.387 ppm2 0.815 CV 1 OR { 7728} (( segid " " and resid 1139 and name HB1 )) ( segid " " and resid 1139 and name HD2%) ASSI { 7948} (( segid " " and resid 1133 and name HA )) ( segid " " and resid 1136 and name HB% ) 2.400 0.700 0.700 peak 7948 spectrum 1 weight 0.10000E+01 volume 0.44226E-02 ppm1 4.092 ppm2 1.489 CV 1 ASSI { 7971} (( segid " " and resid 1146 and name HA )) ( segid " " and resid 1149 and name HD1%) 2.500 0.800 0.800 peak 7971 spectrum 1 weight 0.10000E+01 volume 0.36692E-02 ppm1 3.875 ppm2 0.794 CV 1 ASSI { 7974} (( segid " " and resid 1161 and name HG2 )) (( segid " " and resid 1161 and name HB1 )) 2.300 0.600 0.600 peak 7974 spectrum 1 weight 0.10000E+01 volume 0.62590E-02 ppm1 1.439 ppm2 1.804 CV 1 ASSI { 8022} (( segid " " and resid 1140 and name HG2 )) (( segid " " and resid 1140 and name HG1 )) 2.000 0.500 0.500 peak 8022 spectrum 1 weight 0.10000E+01 volume 0.15604E-01 ppm1 1.611 ppm2 1.394 CV 1 ASSI { 8030} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 67 and name HB1 )) 3.100 1.200 1.200 peak 8030 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 0.913 ppm2 1.595 CV 1 OR { 8030} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 67 and name HB2 )) ASSI { 8040} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1138 and name HB2 )) 3.200 1.300 1.300 peak 8040 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 0.911 ppm2 1.862 CV 1 OR { 8040} ( segid " " and resid 1141 and name HG1%) (( segid " " and resid 1138 and name HB1 )) ASSI { 8059} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1140 and name HN )) 3.100 1.200 1.200 peak 8059 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 0.990 ppm2 7.401 CV 1 ASSI { 8075} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1173 and name HB1 )) 3.100 1.200 1.200 peak 8075 spectrum 1 weight 0.10000E+01 volume 0.98883E-03 ppm1 0.997 ppm2 3.893 CV 1 OR { 8075} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 1173 and name HB2 )) ASSI { 8138} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 8138 spectrum 1 weight 0.10000E+01 volume 0.18002E-02 ppm1 0.989 ppm2 1.578 CV 1 OR { 8138} ( segid " " and resid 1141 and name HG2%) (( segid " " and resid 67 and name HB2 )) ASSI { 8165} (( segid " " and resid 1142 and name HA )) ( segid " " and resid 1170 and name HD2%) 3.000 1.100 1.100 peak 8165 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 3.757 ppm2 1.001 CV 1 ASSI { 9182} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1142 and name HE2 )) 2.000 0.500 0.500 peak 9182 spectrum 1 weight 0.10000E+01 volume 0.15249E-01 ppm1 2.732 ppm2 2.927 CV 1 ASSI { 9198} (( segid " " and resid 1142 and name HE1 )) (( segid " " and resid 1146 and name HG2 )) 2.500 2.500 3.500 peak 9198 spectrum 1 weight 0.10000E+01 volume 0.37018E-02 ppm1 2.739 ppm2 2.541 CV 1 ASSI { 9735} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1177 and name HG12)) 2.700 0.900 0.900 peak 9735 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 1.503 ppm2 1.866 CV 1 OR { 9735} (( segid " " and resid 1142 and name HD1 )) (( segid " " and resid 1177 and name HB )) OR { 9735} (( segid " " and resid 1142 and name HD2 )) (( segid " " and resid 1177 and name HG12)) ASSI { 9742} (( segid " " and resid 1143 and name HA )) (( segid " " and resid 1143 and name HG1 )) 2.400 0.700 0.700 peak 9742 spectrum 1 weight 0.10000E+01 volume 0.48718E-02 ppm1 4.112 ppm2 2.283 CV 1 ASSI { 9752} (( segid " " and resid 1188 and name HB2 )) (( segid " " and resid 1188 and name HA )) 2.900 1.100 1.100 peak 9752 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 1.739 ppm2 4.093 CV 1 ASSI { 9758} (( segid " " and resid 1143 and name HG2 )) (( segid " " and resid 1143 and name HA )) 2.300 0.700 0.700 peak 9758 spectrum 1 weight 0.10000E+01 volume 0.56432E-02 ppm1 2.441 ppm2 4.122 CV 1 ASSI { 9765} (( segid " " and resid 1168 and name HG1 )) (( segid " " and resid 1165 and name HA )) 2.200 0.600 0.600 peak 9765 spectrum 1 weight 0.10000E+01 volume 0.69182E-02 ppm1 2.360 ppm2 3.945 CV 1 ASSI { 9771} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1149 and name HG11)) 2.300 0.600 0.600 peak 9771 spectrum 1 weight 0.10000E+01 volume 0.62771E-02 ppm1 1.588 ppm2 0.816 CV 1 ASSI { 9772} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1194 and name HB2 )) 2.100 0.600 0.600 peak 9772 spectrum 1 weight 0.10000E+01 volume 0.10015E-01 ppm1 4.172 ppm2 1.959 CV 1 ASSI { 9788} (( segid " " and resid 1132 and name HG1 )) ( segid " " and resid 1184 and name HD2%) 2.400 0.700 0.700 peak 9788 spectrum 1 weight 0.10000E+01 volume 0.47558E-02 ppm1 2.059 ppm2 0.853 CV 1 OR { 9788} (( segid " " and resid 1132 and name HG1 )) ( segid " " and resid 1184 and name HD1%) ASSI { 9881} (( segid " " and resid 1146 and name HG2 )) (( segid " " and resid 1170 and name HG )) 3.200 1.300 1.300 peak 9881 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 2.545 ppm2 1.500 CV 1 ASSI { 9923} (( segid " " and resid 1149 and name HA )) (( segid " " and resid 1149 and name HG12)) 3.000 1.200 1.200 peak 9923 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 3.469 ppm2 1.853 CV 1 OR { 9923} (( segid " " and resid 1149 and name HA )) (( segid " " and resid 1149 and name HB )) ASSI { 9925} ( segid " " and resid 1145 and name HB% ) (( segid " " and resid 1146 and name HG1 )) 2.700 0.900 0.900 peak 9925 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 1.503 ppm2 2.133 CV 1 ASSI { 9932} (( segid " " and resid 1149 and name HB )) ( segid " " and resid 1149 and name HG2%) 2.300 0.600 0.600 peak 9932 spectrum 1 weight 0.10000E+01 volume 0.64727E-02 ppm1 1.868 ppm2 0.804 CV 1 OR { 9932} (( segid " " and resid 1149 and name HB )) (( segid " " and resid 1149 and name HG11)) OR { 9932} (( segid " " and resid 1149 and name HB )) ( segid " " and resid 1149 and name HD1%) ASSI { 9933} (( segid " " and resid 1180 and name HB )) ( segid " " and resid 1180 and name HG2%) 2.500 0.800 0.800 peak 9933 spectrum 1 weight 0.10000E+01 volume 0.34845E-02 ppm1 1.747 ppm2 0.863 CV 1 OR { 9933} (( segid " " and resid 1180 and name HB )) (( segid " " and resid 1180 and name HG11)) ASSI { 9961} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1149 and name HG12)) 2.400 0.700 0.700 peak 9961 spectrum 1 weight 0.10000E+01 volume 0.51688E-02 ppm1 0.788 ppm2 1.845 CV 1 OR { 9961} ( segid " " and resid 1149 and name HD1%) (( segid " " and resid 1149 and name HB )) ASSI { 9962} ( segid " " and resid 1179 and name HG2%) (( segid " " and resid 1183 and name HG2 )) 2.700 0.900 0.900 peak 9962 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 0.845 ppm2 2.572 CV 1 ASSI { 9968} (( segid " " and resid 1167 and name HA )) ( segid " " and resid 1149 and name HD1%) 2.200 0.600 0.600 peak 9968 spectrum 1 weight 0.10000E+01 volume 0.83562E-02 ppm1 3.943 ppm2 0.815 CV 1 ASSI { 9969} (( segid " " and resid 1186 and name HA )) (( segid " " and resid 1187 and name HN )) 3.000 1.100 1.100 peak 9969 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 4.035 ppm2 8.017 CV 1 ASSI { 9972} (( segid " " and resid 1169 and name HA )) (( segid " " and resid 1168 and name HN )) 3.000 3.000 3.000 peak 9972 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 4.127 ppm2 8.007 CV 1 ASSI { 9974} (( segid " " and resid 1171 and name HG2 )) (( segid " " and resid 1172 and name HA )) 2.900 1.100 1.100 peak 9974 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 2.424 ppm2 4.355 CV 1 OR { 9974} (( segid " " and resid 1171 and name HG1 )) (( segid " " and resid 1172 and name HA )) ASSI { 9978} (( segid " " and resid 1184 and name HA )) ( segid " " and resid 1131 and name HD1%) 2.600 0.800 0.800 peak 9978 spectrum 1 weight 0.10000E+01 volume 0.28687E-02 ppm1 3.943 ppm2 0.694 CV 1 ASSI { 9980} (( segid " " and resid 1151 and name HA )) (( segid " " and resid 1151 and name HN )) 3.100 1.200 1.200 peak 9980 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 3.802 ppm2 7.866 CV 1 ASSI { 9985} (( segid " " and resid 1153 and name HB1 )) ( segid " " and resid 1149 and name HG2%) 2.600 0.900 0.900 peak 9985 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 3.888 ppm2 0.832 CV 1 ASSI { 9988} (( segid " " and resid 1126 and name HB1 )) (( segid " " and resid 1125 and name HB2 )) 3.200 3.200 2.800 peak 9988 spectrum 1 weight 0.10000E+01 volume 0.81860E-03 ppm1 3.892 ppm2 1.605 CV 1 ASSI { 9990} (( segid " " and resid 1126 and name HB2 )) ( segid " " and resid 1129 and name HB% ) 3.100 3.100 2.900 peak 9990 spectrum 1 weight 0.10000E+01 volume 0.10649E-02 ppm1 4.025 ppm2 1.382 CV 1 ASSI { 9993} (( segid " " and resid 1158 and name HB2 )) (( segid " " and resid 1158 and name HG1 )) 2.600 0.800 0.800 peak 9993 spectrum 1 weight 0.10000E+01 volume 0.29628E-02 ppm1 1.645 ppm2 1.283 CV 1 OR { 9993} (( segid " " and resid 1158 and name HB1 )) (( segid " " and resid 1158 and name HG1 )) ASSI { 9998} ( segid " " and resid 1162 and name HD1%) ( segid " " and resid 70 and name HD2%) 2.700 0.900 0.900 peak 9998 spectrum 1 weight 0.10000E+01 volume 0.23145E-02 ppm1 0.623 ppm2 0.920 CV 1 ASSI {10001} (( segid " " and resid 1140 and name HD2 )) (( segid " " and resid 1140 and name HA )) 2.500 0.800 0.800 peak 10001 spectrum 1 weight 0.10000E+01 volume 0.40640E-02 ppm1 1.626 ppm2 4.113 CV 1 ASSI {10002} (( segid " " and resid 1161 and name HD1 )) (( segid " " and resid 1161 and name HA )) 2.600 0.800 0.800 peak 10002 spectrum 1 weight 0.10000E+01 volume 0.31585E-02 ppm1 1.630 ppm2 3.940 CV 1 ASSI {10004} (( segid " " and resid 1176 and name HD1 )) (( segid " " and resid 1173 and name HA )) 3.000 1.100 1.100 peak 10004 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 1.542 ppm2 4.304 CV 1 ASSI {10013} (( segid " " and resid 1181 and name HB1 )) ( segid " " and resid 1177 and name HG2%) 2.600 0.800 0.800 peak 10013 spectrum 1 weight 0.10000E+01 volume 0.31041E-02 ppm1 1.534 ppm2 0.826 CV 1 ASSI {10029} (( segid " " and resid 1186 and name HD2 )) (( segid " " and resid 1183 and name HA )) 2.500 2.500 3.500 peak 10029 spectrum 1 weight 0.10000E+01 volume 0.40350E-02 ppm1 3.148 ppm2 3.951 CV 1 OR {10029} (( segid " " and resid 1186 and name HD1 )) (( segid " " and resid 1183 and name HA )) ASSI {10031} (( segid " " and resid 1160 and name HD1 )) ( segid " " and resid 1163 and name HD1%) 2.200 0.600 0.600 peak 10031 spectrum 1 weight 0.10000E+01 volume 0.77802E-02 ppm1 3.176 ppm2 0.827 CV 1 OR {10031} (( segid " " and resid 1160 and name HD2 )) ( segid " " and resid 1163 and name HD1%) ASSI {10032} (( segid " " and resid 1160 and name HD1 )) (( segid " " and resid 1163 and name HB1 )) 2.600 0.900 0.900 peak 10032 spectrum 1 weight 0.10000E+01 volume 0.27492E-02 ppm1 3.185 ppm2 1.359 CV 1 ASSI {10035} (( segid " " and resid 1199 and name HD1 )) (( segid " " and resid 1199 and name HB1 )) 2.900 1.100 1.100 peak 10035 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 3.529 ppm2 1.844 CV 1 ASSI {10046} (( segid " " and resid 1194 and name HA )) (( segid " " and resid 1194 and name HN )) 3.300 1.400 1.400 peak 10046 spectrum 1 weight 0.10000E+01 volume 0.68096E-03 ppm1 4.168 ppm2 8.230 CV 1 ASSI {10049} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1194 and name HG2 )) 2.100 0.500 0.500 peak 10049 spectrum 1 weight 0.10000E+01 volume 0.11225E-01 ppm1 1.981 ppm2 2.178 CV 1 OR {10049} (( segid " " and resid 1194 and name HB2 )) (( segid " " and resid 1194 and name HG1 )) ASSI {10050} (( segid " " and resid 1194 and name HB1 )) (( segid " " and resid 1194 and name HG1 )) 2.100 0.600 0.600 peak 10050 spectrum 1 weight 0.10000E+01 volume 0.92870E-02 ppm1 1.901 ppm2 2.179 CV 1 OR {10050} (( segid " " and resid 1194 and name HB1 )) (( segid " " and resid 1194 and name HG2 )) ASSI {10053} (( segid " " and resid 1193 and name HG )) (( segid " " and resid 1190 and name HA )) 2.300 0.700 0.700 peak 10053 spectrum 1 weight 0.10000E+01 volume 0.55889E-02 ppm1 1.599 ppm2 4.182 CV 1 ASSI {10055} (( segid " " and resid 1193 and name HG )) ( segid " " and resid 1193 and name HD1%) 1.800 0.400 0.400 peak 10055 spectrum 1 weight 0.10000E+01 volume 0.25637E-01 ppm1 1.599 ppm2 0.814 CV 1 OR {10055} (( segid " " and resid 1193 and name HG )) ( segid " " and resid 1193 and name HD2%) ASSI {10056} (( segid " " and resid 1193 and name HB2 )) ( segid " " and resid 1193 and name HD1%) 2.000 0.500 0.500 peak 10056 spectrum 1 weight 0.10000E+01 volume 0.15064E-01 ppm1 1.639 ppm2 0.826 CV 1 OR {10056} (( segid " " and resid 1193 and name HB2 )) ( segid " " and resid 1193 and name HD2%) ASSI {10057} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1149 and name HA )) 3.100 1.200 1.200 peak 10057 spectrum 1 weight 0.10000E+01 volume 0.99246E-03 ppm1 1.591 ppm2 3.465 CV 1 ASSI {10072} ( segid " " and resid 1193 and name HD1%) (( segid " " and resid 1196 and name HB1 )) 2.600 0.900 0.900 peak 10072 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 0.793 ppm2 1.952 CV 1 ASSI {10074} ( segid " " and resid 1139 and name HD2%) (( segid " " and resid 1136 and name HA )) 1.900 0.500 0.500 peak 10074 spectrum 1 weight 0.10000E+01 volume 0.16404E-01 ppm1 0.844 ppm2 3.969 CV 1 ASSI {10076} (( segid " " and resid 1143 and name HG1 )) (( segid " " and resid 1143 and name HN )) 2.700 0.900 0.900 peak 10076 spectrum 1 weight 0.10000E+01 volume 0.20501E-02 ppm1 2.319 ppm2 7.818 CV 1 ASSI {10080} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1191 and name HB1 )) 2.000 0.500 0.500 peak 10080 spectrum 1 weight 0.10000E+01 volume 0.12275E-01 ppm1 4.484 ppm2 2.613 CV 1 OR {10080} (( segid " " and resid 1191 and name HA )) (( segid " " and resid 1191 and name HB2 )) ASSI {10084} (( segid " " and resid 1172 and name HB1 )) (( segid " " and resid 1169 and name HA )) 2.600 0.800 0.800 peak 10084 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 2.632 ppm2 4.114 CV 1 ASSI {10086} (( segid " " and resid 1191 and name HB2 )) ( segid " " and resid 1188 and name HD1%) 2.800 1.000 1.000 peak 10086 spectrum 1 weight 0.10000E+01 volume 0.17386E-02 ppm1 2.640 ppm2 0.843 CV 1 ASSI {10097} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1182 and name HA )) 2.900 2.900 3.100 peak 10097 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 2.050 ppm2 4.140 CV 1 ASSI {10102} (( segid " " and resid 1188 and name HA )) (( segid " " and resid 1191 and name HB2 )) 3.200 1.300 1.300 peak 10102 spectrum 1 weight 0.10000E+01 volume 0.81860E-03 ppm1 4.105 ppm2 2.621 CV 1 ASSI {10104} (( segid " " and resid 1164 and name HB2 )) (( segid " " and resid 1164 and name HA )) 2.900 1.000 1.000 peak 10104 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 1.770 ppm2 4.080 CV 1 ASSI {10116} (( segid " " and resid 1188 and name HB2 )) ( segid " " and resid 1188 and name HD2%) 2.200 0.600 0.600 peak 10116 spectrum 1 weight 0.10000E+01 volume 0.69110E-02 ppm1 1.758 ppm2 0.830 CV 1 ASSI {10118} ( segid " " and resid 1184 and name HD2%) (( segid " " and resid 1132 and name HN )) 2.800 0.900 0.900 peak 10118 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 0.893 ppm2 8.655 CV 1 OR {10118} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1132 and name HN )) ASSI {10119} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1193 and name HG )) 1.700 0.400 0.500 peak 10119 spectrum 1 weight 0.10000E+01 volume 0.36087E-01 ppm1 0.864 ppm2 1.624 CV 1 OR {10119} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1193 and name HB2 )) ASSI {10125} (( segid " " and resid 1187 and name HA )) (( segid " " and resid 1186 and name HB2 )) 3.300 1.400 1.400 peak 10125 spectrum 1 weight 0.10000E+01 volume 0.65560E-03 ppm1 4.095 ppm2 1.813 CV 1 OR {10125} (( segid " " and resid 1187 and name HA )) (( segid " " and resid 1186 and name HB1 )) ASSI {10126} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1184 and name HA )) 2.200 0.600 0.600 peak 10126 spectrum 1 weight 0.10000E+01 volume 0.76136E-02 ppm1 0.894 ppm2 3.912 CV 1 ASSI {10127} ( segid " " and resid 1163 and name HD1%) (( segid " " and resid 1149 and name HA )) 3.100 1.200 1.200 peak 10127 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.795 ppm2 3.451 CV 1 ASSI {10150} (( segid " " and resid 1165 and name HB )) ( segid " " and resid 1166 and name HB% ) 2.900 1.100 1.100 peak 10150 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 4.230 ppm2 1.616 CV 1 ASSI {10152} (( segid " " and resid 1163 and name HG )) ( segid " " and resid 1163 and name HD1%) 2.200 0.600 0.600 peak 10152 spectrum 1 weight 0.10000E+01 volume 0.67878E-02 ppm1 1.405 ppm2 0.819 CV 1 ASSI {10168} (( segid " " and resid 1193 and name HG )) (( segid " " and resid 1192 and name HB1 )) 2.800 1.000 1.000 peak 10168 spectrum 1 weight 0.10000E+01 volume 0.18002E-02 ppm1 1.587 ppm2 2.010 CV 1 ASSI {10180} (( segid " " and resid 1169 and name HB2 )) (( segid " " and resid 1169 and name HA )) 2.800 0.900 0.900 peak 10180 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 2.203 ppm2 4.102 CV 1 ASSI {10186} ( segid " " and resid 1184 and name HD2%) (( segid " " and resid 1132 and name HG2 )) 2.600 0.800 0.800 peak 10186 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 0.891 ppm2 2.482 CV 1 OR {10186} ( segid " " and resid 1184 and name HD1%) (( segid " " and resid 1132 and name HG2 )) ASSI {10189} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1196 and name HB2 )) 2.300 0.700 0.700 peak 10189 spectrum 1 weight 0.10000E+01 volume 0.61503E-02 ppm1 0.869 ppm2 2.036 CV 1 ASSI {10191} (( segid " " and resid 1134 and name HG2 )) (( segid " " and resid 1135 and name HN )) 3.100 1.200 1.200 peak 10191 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 2.532 ppm2 8.629 CV 1 ASSI {10196} (( segid " " and resid 1134 and name HG2 )) (( segid " " and resid 1134 and name HA )) 2.600 0.800 0.800 peak 10196 spectrum 1 weight 0.10000E+01 volume 0.31549E-02 ppm1 2.528 ppm2 3.904 CV 1 ASSI {10198} (( segid " " and resid 1167 and name HG2 )) (( segid " " and resid 1164 and name HA )) 3.100 1.200 1.200 peak 10198 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 2.583 ppm2 4.094 CV 1 ASSI {10201} (( segid " " and resid 1167 and name HG2 )) ( segid " " and resid 1166 and name HB% ) 3.100 1.200 1.200 peak 10201 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 2.575 ppm2 1.551 CV 1 ASSI {10211} (( segid " " and resid 1134 and name HB2 )) ( segid " " and resid 1180 and name HD1%) 2.900 1.100 1.100 peak 10211 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 2.231 ppm2 0.716 CV 1 ASSI {10225} (( segid " " and resid 1120 and name HB )) (( segid " " and resid 1120 and name HG11)) 2.900 1.100 1.100 peak 10225 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 1.795 ppm2 1.073 CV 1 ASSI {10242} (( segid " " and resid 1180 and name HA )) (( segid " " and resid 1183 and name HB2 )) 2.900 1.100 1.100 peak 10242 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 3.672 ppm2 2.287 CV 1 ASSI {10244} (( segid " " and resid 1179 and name HA )) ( segid " " and resid 1179 and name HD1%) 2.400 0.700 0.700 peak 10244 spectrum 1 weight 0.10000E+01 volume 0.41255E-02 ppm1 3.719 ppm2 0.813 CV 1 OR {10244} (( segid " " and resid 1179 and name HA )) ( segid " " and resid 1179 and name HG2%) ASSI {10253} (( segid " " and resid 1180 and name HG11)) ( segid " " and resid 1180 and name HD1%) 3.000 1.100 1.100 peak 10253 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 0.899 ppm2 0.675 CV 1 ASSI {10255} ( segid " " and resid 1180 and name HG2%) ( segid " " and resid 1180 and name HD1%) 2.200 0.600 0.600 peak 10255 spectrum 1 weight 0.10000E+01 volume 0.88633E-02 ppm1 0.894 ppm2 0.680 CV 1 ASSI {10257} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1135 and name HB1 )) 2.400 0.800 0.800 peak 10257 spectrum 1 weight 0.10000E+01 volume 0.40712E-02 ppm1 0.893 ppm2 1.566 CV 1 ASSI {10258} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1180 and name HB )) 2.400 0.700 0.700 peak 10258 spectrum 1 weight 0.10000E+01 volume 0.47848E-02 ppm1 0.896 ppm2 1.726 CV 1 ASSI {10259} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1181 and name HN )) 3.100 1.200 1.200 peak 10259 spectrum 1 weight 0.10000E+01 volume 0.10540E-02 ppm1 0.898 ppm2 8.970 CV 1 ASSI {10260} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1138 and name HG1 )) 3.000 1.100 1.100 peak 10260 spectrum 1 weight 0.10000E+01 volume 0.11482E-02 ppm1 0.901 ppm2 2.179 CV 1 ASSI {10264} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1135 and name HA )) 2.600 0.800 0.800 peak 10264 spectrum 1 weight 0.10000E+01 volume 0.28397E-02 ppm1 0.893 ppm2 3.868 CV 1 ASSI {10265} ( segid " " and resid 1180 and name HG2%) (( segid " " and resid 1131 and name HA )) 3.300 1.400 1.400 peak 10265 spectrum 1 weight 0.10000E+01 volume 0.67371E-03 ppm1 0.897 ppm2 4.088 CV 1 ASSI {10271} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1135 and name HA )) 2.500 0.800 0.800 peak 10271 spectrum 1 weight 0.10000E+01 volume 0.32273E-02 ppm1 0.698 ppm2 3.877 CV 1 ASSI {10276} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1134 and name HB1 )) 2.600 0.800 0.800 peak 10276 spectrum 1 weight 0.10000E+01 volume 0.29557E-02 ppm1 0.697 ppm2 2.107 CV 1 ASSI {10277} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1180 and name HG12)) 2.300 0.700 0.700 peak 10277 spectrum 1 weight 0.10000E+01 volume 0.62228E-02 ppm1 0.699 ppm2 1.773 CV 1 OR {10277} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1180 and name HB )) ASSI {10278} ( segid " " and resid 1180 and name HD1%) ( segid " " and resid 1180 and name HG2%) 1.900 0.500 0.500 peak 10278 spectrum 1 weight 0.10000E+01 volume 0.16527E-01 ppm1 0.698 ppm2 0.870 CV 1 OR {10278} ( segid " " and resid 1180 and name HD1%) (( segid " " and resid 1180 and name HG11)) ASSI {10288} (( segid " " and resid 1178 and name HA )) (( segid " " and resid 1181 and name HB2 )) 2.800 1.000 1.000 peak 10288 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 4.361 ppm2 1.912 CV 1 ASSI {10289} (( segid " " and resid 1178 and name HA )) (( segid " " and resid 1178 and name HN )) 2.700 0.900 0.900 peak 10289 spectrum 1 weight 0.10000E+01 volume 0.20356E-02 ppm1 4.364 ppm2 7.692 CV 1 ASSI {10306} (( segid " " and resid 1177 and name HA )) (( segid " " and resid 1177 and name HG11)) 2.700 0.900 0.900 peak 10306 spectrum 1 weight 0.10000E+01 volume 0.23689E-02 ppm1 3.347 ppm2 0.702 CV 1 OR {10306} (( segid " " and resid 1177 and name HA )) ( segid " " and resid 1177 and name HD1%) ASSI {10312} (( segid " " and resid 1177 and name HB )) (( segid " " and resid 1174 and name HA )) 2.900 1.100 1.100 peak 10312 spectrum 1 weight 0.10000E+01 volume 0.14126E-02 ppm1 1.848 ppm2 3.823 CV 1 ASSI {10313} (( segid " " and resid 1177 and name HG11)) (( segid " " and resid 1177 and name HG12)) 3.300 3.300 2.700 peak 10313 spectrum 1 weight 0.10000E+01 volume 0.64473E-03 ppm1 0.678 ppm2 1.846 CV 1 ASSI {10318} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1177 and name HG12)) 2.300 0.600 0.600 peak 10318 spectrum 1 weight 0.10000E+01 volume 0.65197E-02 ppm1 0.729 ppm2 1.841 CV 1 OR {10318} ( segid " " and resid 1177 and name HD1%) (( segid " " and resid 1177 and name HB )) ASSI {10323} (( segid " " and resid 1133 and name HB2 )) (( segid " " and resid 1133 and name HE1 )) 2.800 1.000 1.000 peak 10323 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 1.922 ppm2 2.888 CV 1 OR {10323} (( segid " " and resid 1133 and name HB2 )) (( segid " " and resid 1133 and name HE2 )) OR {10323} (( segid " " and resid 1133 and name HB1 )) (( segid " " and resid 1133 and name HE1 )) ASSI {10331} (( segid " " and resid 1174 and name HE1 )) (( segid " " and resid 1174 and name HB1 )) 2.600 0.800 0.800 peak 10331 spectrum 1 weight 0.10000E+01 volume 0.28470E-02 ppm1 2.834 ppm2 1.893 CV 1 OR {10331} (( segid " " and resid 1174 and name HE1 )) (( segid " " and resid 1174 and name HB2 )) ASSI {10332} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HE1 )) 2.900 1.100 1.100 peak 10332 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 1.549 ppm2 2.810 CV 1 OR {10332} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1176 and name HE2 )) ASSI {10334} (( segid " " and resid 1133 and name HG2 )) (( segid " " and resid 1130 and name HA1 )) 3.000 3.000 3.000 peak 10334 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 1.540 ppm2 3.863 CV 1 ASSI {10335} (( segid " " and resid 1176 and name HG2 )) (( segid " " and resid 1173 and name HA )) 3.200 1.200 1.200 peak 10335 spectrum 1 weight 0.10000E+01 volume 0.89103E-03 ppm1 1.549 ppm2 4.328 CV 1 ASSI {10338} (( segid " " and resid 1174 and name HE1 )) ( segid " " and resid 1170 and name HD1%) 2.600 0.800 0.800 peak 10338 spectrum 1 weight 0.10000E+01 volume 0.31549E-02 ppm1 2.835 ppm2 0.870 CV 1 ASSI {10342} (( segid " " and resid 1174 and name HG1 )) (( segid " " and resid 1174 and name HA )) 2.800 1.000 1.000 peak 10342 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 1.298 ppm2 3.807 CV 1 ASSI {10345} (( segid " " and resid 1165 and name HA )) (( segid " " and resid 1168 and name HB1 )) 2.800 2.800 3.200 peak 10345 spectrum 1 weight 0.10000E+01 volume 0.20102E-02 ppm1 3.934 ppm2 2.177 CV 1 ASSI {10358} ( segid " " and resid 1175 and name HG2%) (( segid " " and resid 1179 and name HA )) 3.200 3.200 2.800 peak 10358 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 1.232 ppm2 3.730 CV 1 ASSI {10360} ( segid " " and resid 1175 and name HG2%) (( segid " " and resid 1178 and name HB2 )) 2.800 1.000 1.000 peak 10360 spectrum 1 weight 0.10000E+01 volume 0.17893E-02 ppm1 1.228 ppm2 2.790 CV 1 ASSI {10361} ( segid " " and resid 1188 and name HD2%) (( segid " " and resid 1128 and name HB )) 2.500 2.500 3.500 peak 10361 spectrum 1 weight 0.10000E+01 volume 0.35569E-02 ppm1 0.841 ppm2 1.993 CV 1 ASSI {10364} ( segid " " and resid 1175 and name HG2%) (( segid " " and resid 1179 and name HG12)) 2.600 0.800 0.800 peak 10364 spectrum 1 weight 0.10000E+01 volume 0.29266E-02 ppm1 1.223 ppm2 1.759 CV 1 ASSI {10365} ( segid " " and resid 1165 and name HG2%) (( segid " " and resid 70 and name HG )) 2.700 0.900 0.900 peak 10365 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 1.221 ppm2 1.658 CV 1 ASSI {10368} ( segid " " and resid 1165 and name HG2%) ( segid " " and resid 1162 and name HD1%) 2.700 2.700 3.300 peak 10368 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 1.214 ppm2 0.627 CV 1 OR {10368} ( segid " " and resid 1165 and name HG2%) ( segid " " and resid 1162 and name HD2%) ASSI {10376} (( segid " " and resid 1133 and name HB1 )) (( segid " " and resid 1133 and name HG2 )) 2.300 0.600 0.600 peak 10376 spectrum 1 weight 0.10000E+01 volume 0.63930E-02 ppm1 1.928 ppm2 1.573 CV 1 OR {10376} (( segid " " and resid 1133 and name HB2 )) (( segid " " and resid 1133 and name HG2 )) ASSI {10386} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1176 and name HD1 )) 2.900 1.100 1.100 peak 10386 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 4.313 ppm2 1.541 CV 1 OR {10386} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1176 and name HD2 )) ASSI {10387} (( segid " " and resid 1173 and name HA )) (( segid " " and resid 1176 and name HB2 )) 2.800 1.000 1.000 peak 10387 spectrum 1 weight 0.10000E+01 volume 0.19306E-02 ppm1 4.317 ppm2 1.899 CV 1 ASSI {10389} (( segid " " and resid 1168 and name HB1 )) (( segid " " and resid 188 and name HD1 )) 2.900 1.000 1.000 peak 10389 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 2.162 ppm2 1.562 CV 1 OR {10389} (( segid " " and resid 1168 and name HB1 )) (( segid " " and resid 188 and name HD2 )) ASSI {10392} (( segid " " and resid 1170 and name HB1 )) (( segid " " and resid 1170 and name HA )) 3.100 1.200 1.200 peak 10392 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 1.479 ppm2 3.903 CV 1 ASSI {10399} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1170 and name HA )) 2.300 0.600 0.600 peak 10399 spectrum 1 weight 0.10000E+01 volume 0.66321E-02 ppm1 1.025 ppm2 3.891 CV 1 ASSI {10403} (( segid " " and resid 1169 and name HB1 )) (( segid " " and resid 1169 and name HA )) 2.700 0.900 0.900 peak 10403 spectrum 1 weight 0.10000E+01 volume 0.25029E-02 ppm1 2.023 ppm2 4.115 CV 1 ASSI {10412} ( segid " " and resid 1152 and name HD% ) ( segid " " and resid 1162 and name HD2%) 3.300 1.400 1.400 peak 10412 spectrum 1 weight 0.10000E+01 volume 0.63749E-03 ppm1 7.015 ppm2 0.631 CV 1 OR {10412} ( segid " " and resid 1152 and name HD% ) ( segid " " and resid 1162 and name HD1%) ASSI {10413} (( segid " " and resid 1169 and name HG2 )) (( segid " " and resid 1169 and name HB1 )) 2.400 0.700 0.700 peak 10413 spectrum 1 weight 0.10000E+01 volume 0.45747E-02 ppm1 2.684 ppm2 2.002 CV 1 OR {10413} (( segid " " and resid 1169 and name HG2 )) ( segid " " and resid 1169 and name HE% ) ASSI {10427} (( segid " " and resid 1169 and name HG1 )) (( segid " " and resid 1169 and name HB1 )) 2.400 0.700 0.700 peak 10427 spectrum 1 weight 0.10000E+01 volume 0.51651E-02 ppm1 2.433 ppm2 1.997 CV 1 OR {10427} (( segid " " and resid 1169 and name HG1 )) ( segid " " and resid 1169 and name HE% ) ASSI {10445} ( segid " " and resid 1148 and name HE% ) ( segid " " and resid 70 and name HD1%) 2.800 1.000 1.000 peak 10445 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 1.953 ppm2 0.831 CV 1 ASSI {10447} ( segid " " and resid 1169 and name HE% ) ( segid " " and resid 1166 and name HB% ) 2.200 2.200 3.800 peak 10447 spectrum 1 weight 0.10000E+01 volume 0.68784E-02 ppm1 2.009 ppm2 1.553 CV 1 ASSI {10450} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 66 and name HD2 )) 3.000 1.100 1.100 peak 10450 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 2.003 ppm2 3.163 CV 1 OR {10450} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 66 and name HD1 )) ASSI {10454} ( segid " " and resid 1169 and name HE% ) (( segid " " and resid 1169 and name HN )) 2.900 1.100 1.100 peak 10454 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 2.010 ppm2 8.231 CV 1 ASSI {10456} ( segid " " and resid 1182 and name HE% ) ( segid " " and resid 1179 and name HG2%) 2.200 0.600 0.600 peak 10456 spectrum 1 weight 0.10000E+01 volume 0.71174E-02 ppm1 2.050 ppm2 0.825 CV 1 ASSI {10457} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1179 and name HG11)) 3.000 1.200 1.200 peak 10457 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 2.050 ppm2 1.094 CV 1 ASSI {10458} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1178 and name HB1 )) 2.300 0.700 0.700 peak 10458 spectrum 1 weight 0.10000E+01 volume 0.54585E-02 ppm1 2.051 ppm2 2.594 CV 1 ASSI {10462} ( segid " " and resid 1182 and name HE% ) (( segid " " and resid 1178 and name HN )) 2.900 2.900 3.100 peak 10462 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 2.051 ppm2 7.734 CV 1 ASSI {10466} (( segid " " and resid 1134 and name HB2 )) ( segid " " and resid 1180 and name HG2%) 2.700 0.900 0.900 peak 10466 spectrum 1 weight 0.10000E+01 volume 0.20646E-02 ppm1 2.236 ppm2 0.856 CV 1 ASSI {10476} (( segid " " and resid 1140 and name HB2 )) (( segid " " and resid 1140 and name HG2 )) 2.600 0.900 0.900 peak 10476 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 2.039 ppm2 1.608 CV 1 ASSI {10487} ( segid " " and resid 1163 and name HD2%) (( segid " " and resid 1152 and name HB1 )) 2.700 0.900 0.900 peak 10487 spectrum 1 weight 0.10000E+01 volume 0.23616E-02 ppm1 0.888 ppm2 2.580 CV 1 ASSI {10488} (( segid " " and resid 1188 and name HA )) ( segid " " and resid 1188 and name HD1%) 2.100 0.600 0.600 peak 10488 spectrum 1 weight 0.10000E+01 volume 0.93490E-02 ppm1 4.101 ppm2 0.825 CV 1 ASSI {10493} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1167 and name HB2 )) 2.500 0.800 0.800 peak 10493 spectrum 1 weight 0.10000E+01 volume 0.36982E-02 ppm1 0.865 ppm2 2.290 CV 1 OR {10493} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1167 and name HG1 )) ASSI {10494} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1168 and name HG2 )) 2.700 2.700 3.300 peak 10494 spectrum 1 weight 0.10000E+01 volume 0.24051E-02 ppm1 0.861 ppm2 2.383 CV 1 OR {10494} ( segid " " and resid 1164 and name HD2%) (( segid " " and resid 1168 and name HG1 )) ASSI {10503} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 1168 and name HG1 )) 2.300 0.600 0.600 peak 10503 spectrum 1 weight 0.10000E+01 volume 0.62590E-02 ppm1 2.226 ppm2 2.383 CV 1 OR {10503} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 1168 and name HG2 )) ASSI {10506} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 1168 and name HA )) 2.400 0.700 0.700 peak 10506 spectrum 1 weight 0.10000E+01 volume 0.42233E-02 ppm1 2.228 ppm2 3.949 CV 1 ASSI {10514} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1163 and name HA )) 2.600 0.900 0.900 peak 10514 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 1.588 ppm2 3.882 CV 1 ASSI {10515} ( segid " " and resid 1166 and name HB% ) (( segid " " and resid 1166 and name HA )) 2.400 0.700 0.700 peak 10515 spectrum 1 weight 0.10000E+01 volume 0.45892E-02 ppm1 1.587 ppm2 4.115 CV 1 ASSI {10524} (( segid " " and resid 1181 and name HB1 )) (( segid " " and resid 1181 and name HD1 )) 3.100 1.200 1.200 peak 10524 spectrum 1 weight 0.10000E+01 volume 0.97793E-03 ppm1 1.520 ppm2 3.115 CV 1 ASSI {10529} (( segid " " and resid 1183 and name HB2 )) (( segid " " and resid 1182 and name HG1 )) 2.800 2.800 3.200 peak 10529 spectrum 1 weight 0.10000E+01 volume 0.19813E-02 ppm1 2.326 ppm2 2.547 CV 1 ASSI {10533} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name HD2 )) 2.900 1.100 1.100 peak 10533 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 4.173 ppm2 3.141 CV 1 OR {10533} (( segid " " and resid 1182 and name HA )) (( segid " " and resid 1185 and name HD1 )) ASSI {10781} (( segid " " and resid 1183 and name HG1 )) (( segid " " and resid 1183 and name HA )) 2.400 0.700 0.700 peak 10781 spectrum 1 weight 0.10000E+01 volume 0.44552E-02 ppm1 2.322 ppm2 3.920 CV 1 ASSI {10788} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1146 and name HG2 )) 2.600 0.800 0.800 peak 10788 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 0.903 ppm2 2.530 CV 1 ASSI {10795} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1170 and name HG )) 2.200 0.600 0.600 peak 10795 spectrum 1 weight 0.10000E+01 volume 0.88415E-02 ppm1 0.904 ppm2 1.478 CV 1 ASSI {10796} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1142 and name HG1 )) 2.900 1.000 1.000 peak 10796 spectrum 1 weight 0.10000E+01 volume 0.15032E-02 ppm1 0.903 ppm2 1.214 CV 1 OR {10796} ( segid " " and resid 1170 and name HD1%) (( segid " " and resid 1142 and name HG2 )) ASSI {11094} ( segid " " and resid 1170 and name HD2%) (( segid " " and resid 1174 and name HG2 )) 2.500 0.800 0.800 peak 11094 spectrum 1 weight 0.10000E+01 volume 0.33758E-02 ppm1 1.025 ppm2 1.641 CV 1 ASSI {12242} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1196 and name HB1 )) 2.300 0.700 0.700 peak 12242 spectrum 1 weight 0.10000E+01 volume 0.53390E-02 ppm1 0.866 ppm2 1.897 CV 1 ASSI {12326} (( segid " " and resid 1133 and name HG1 )) (( segid " " and resid 1130 and name HA1 )) 3.000 1.100 1.100 peak 12326 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 1.368 ppm2 3.872 CV 1 ASSI {12481} ( segid " " and resid 1193 and name HD2%) (( segid " " and resid 1189 and name HG2 )) 2.700 0.900 0.900 peak 12481 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 0.859 ppm2 2.387 CV 1 ASSI {12488} (( segid " " and resid 1161 and name HG1 )) (( segid " " and resid 1161 and name HB1 )) 2.300 0.600 0.600 peak 12488 spectrum 1 weight 0.10000E+01 volume 0.65379E-02 ppm1 1.317 ppm2 1.803 CV 1 ASSI {12491} (( segid " " and resid 1176 and name HG1 )) (( segid " " and resid 1176 and name HE2 )) 2.800 1.000 1.000 peak 12491 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 1.318 ppm2 2.805 CV 1 OR {12491} (( segid " " and resid 1176 and name HG1 )) (( segid " " and resid 1176 and name HE1 )) ASSI {12503} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 188 and name HD2 )) 3.000 1.100 1.100 peak 12503 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 2.224 ppm2 1.560 CV 1 OR {12503} (( segid " " and resid 1168 and name HB2 )) (( segid " " and resid 188 and name HD1 )) ASSI {12508} (( segid " " and resid 1149 and name HG12)) (( segid " " and resid 1149 and name HG11)) 2.400 0.700 0.700 peak 12508 spectrum 1 weight 0.10000E+01 volume 0.42451E-02 ppm1 1.842 ppm2 0.816 CV 1 OR {12508} (( segid " " and resid 1149 and name HG12)) ( segid " " and resid 1149 and name HD1%) ASSI { 916} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 19 and name HG )) 3.200 1.200 1.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.89103E-03 ppm1 0.349 ppm2 1.716 CV 1 ASSI { 918} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 157 and name HG )) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.41473E-02 ppm1 0.350 ppm2 1.178 CV 1 ASSI { 972} (( segid " " and resid 111 and name HG11)) ( segid " " and resid 111 and name HD1%) 2.500 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33577E-02 ppm1 1.014 ppm2 0.499 CV 1 OR { 972} (( segid " " and resid 111 and name HG11)) ( segid " " and resid 111 and name HG2%) ASSI { 979} (( segid " " and resid 111 and name HG12)) ( segid " " and resid 111 and name HD1%) 2.500 0.800 0.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.33033E-02 ppm1 1.050 ppm2 0.497 CV 1 ASSI { 983} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 160 and name HD2%) 2.300 0.600 0.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.65849E-02 ppm1 1.063 ppm2 0.462 CV 1 ASSI { 992} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 113 and name HG1%) 2.300 0.700 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.53534E-02 ppm1 0.486 ppm2 0.328 CV 1 ASSI { 1014} (( segid " " and resid 61 and name HG )) ( segid " " and resid 61 and name HD2%) 2.200 0.600 0.600 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.85445E-02 ppm1 1.933 ppm2 1.048 CV 1 ASSI { 1017} (( segid " " and resid 123 and name HE1 )) (( segid " " and resid 127 and name HN )) 2.600 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 2.922 ppm2 8.374 CV 1 OR { 1017} (( segid " " and resid 123 and name HE2 )) (( segid " " and resid 127 and name HN )) ASSI { 1022} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 91 and name HB1 )) 2.500 2.500 3.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.34084E-02 ppm1 1.369 ppm2 1.928 CV 1 ASSI { 1024} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 146 and name HB% ) 2.300 0.700 0.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.58207E-02 ppm1 0.785 ppm2 1.385 CV 1 ASSI { 1028} ( segid " " and resid 146 and name HB% ) ( segid " " and resid 151 and name HB% ) 2.200 0.600 0.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.84105E-02 ppm1 1.383 ppm2 1.217 CV 1 ASSI { 1033} ( segid " " and resid 139 and name HE% ) (( segid " " and resid 155 and name HB2 )) 3.100 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 6.740 ppm2 1.584 CV 1 ASSI { 1049} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HD1%) 2.800 0.900 0.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 4.304 ppm2 0.508 CV 1 OR { 1049} (( segid " " and resid 111 and name HA )) ( segid " " and resid 111 and name HG2%) ASSI { 1057} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 1 and name HB1 )) 2.700 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 1.369 ppm2 1.861 CV 1 OR { 1057} ( segid " " and resid 3 and name HB% ) ( segid " " and resid 1 and name HE% ) ASSI { 1063} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 128 and name HB1 )) 2.600 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.26912E-02 ppm1 1.165 ppm2 1.874 CV 1 ASSI { 1070} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) 2.800 1.000 1.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 2.282 ppm2 4.011 CV 1 ASSI { 1077} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 98 and name HD% ) 2.800 1.000 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.18400E-02 ppm1 0.838 ppm2 6.875 CV 1 ASSI { 1089} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HB )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.52194E-02 ppm1 0.465 ppm2 1.761 CV 1 ASSI { 1102} (( segid " " and resid 110 and name HG12)) (( segid " " and resid 110 and name HG11)) 2.800 1.000 1.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.19958E-02 ppm1 1.841 ppm2 1.415 CV 1 ASSI { 1103} ( segid " " and resid 110 and name HG2%) ( segid " " and resid 78 and name HD% ) 3.300 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.73529E-03 ppm1 0.711 ppm2 6.822 CV 1 ASSI { 1253} (( segid " " and resid 172 and name HA )) (( segid " " and resid 111 and name HG11)) 3.000 1.100 1.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 3.740 ppm2 1.041 CV 1 ASSI { 1347} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 176 and name HN )) 3.200 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.80411E-03 ppm1 0.668 ppm2 7.198 CV 1 ASSI { 1415} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 152 and name HB )) 1.800 0.400 0.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.25478E-01 ppm1 0.993 ppm2 2.032 CV 1 ASSI { 1449} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 149 and name HG11)) 2.600 0.800 0.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.28904E-02 ppm1 0.215 ppm2 0.953 CV 1 ASSI { 1507} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 19 and name HG )) 3.100 1.200 1.200 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 0.591 ppm2 1.729 CV 1 ASSI { 1511} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 178 and name HN )) 2.600 2.600 3.400 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.29954E-02 ppm1 0.671 ppm2 8.159 CV 1 ASSI { 1561} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 19 and name HD1%) 2.600 0.800 0.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.31476E-02 ppm1 2.156 ppm2 0.663 CV 1 ASSI { 1612} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1141 and name HA )) 2.800 1.000 1.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.16517E-02 ppm1 0.619 ppm2 3.593 CV 1 ASSI { 1631} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1140 and name HE2 )) 3.000 1.100 1.100 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 0.623 ppm2 2.919 CV 1 ASSI { 1632} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1144 and name HA2 )) 2.900 1.100 1.100 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 0.620 ppm2 3.856 CV 1 OR { 1632} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1144 and name HA1 )) ASSI { 1633} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 36 and name HG2%) 3.200 1.200 1.200 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.88017E-03 ppm1 7.133 ppm2 0.622 CV 1 OR { 1633} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 36 and name HG1%) ASSI { 1638} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1140 and name HB1 )) 2.700 0.900 0.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 0.638 ppm2 1.925 CV 1 ASSI { 1642} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 50 and name HA )) 2.900 1.100 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.14163E-02 ppm1 0.796 ppm2 4.848 CV 1 ASSI { 1671} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 1.217 ppm2 3.992 CV 1 ASSI { 1708} (( segid " " and resid 87 and name HD1 )) ( segid " " and resid 134 and name HD2%) 2.900 1.100 1.100 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 3.483 ppm2 0.885 CV 1 ASSI { 1727} (( segid " " and resid 87 and name HG1 )) ( segid " " and resid 134 and name HD2%) 2.900 2.900 3.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.14923E-02 ppm1 2.014 ppm2 0.842 CV 1 ASSI { 1734} (( segid " " and resid 173 and name HA )) ( segid " " and resid 173 and name HG2%) 2.300 0.700 0.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.55309E-02 ppm1 3.398 ppm2 0.785 CV 1 OR { 1734} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HG11)) ASSI { 1750} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 134 and name HD2%) 3.300 1.300 1.300 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 2.183 ppm2 0.878 CV 1 ASSI { 1757} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HB2 )) 1.800 0.400 0.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.27789E-01 ppm1 2.261 ppm2 2.031 CV 1 OR { 1757} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HB2 )) ASSI { 1766} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 86 and name HB1 )) 2.300 0.700 0.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.56578E-02 ppm1 0.858 ppm2 3.783 CV 1 ASSI { 1809} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.27347E-02 ppm1 5.073 ppm2 1.797 CV 1 ASSI { 1817} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 88 and name HA )) 2.600 2.600 3.400 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.25608E-02 ppm1 0.859 ppm2 4.123 CV 1 ASSI { 1859} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 1166 and name HN )) 2.900 1.100 1.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 0.885 ppm2 8.220 CV 1 ASSI { 1879} (( segid " " and resid 144 and name HA )) ( segid " " and resid 144 and name HB% ) 2.200 0.600 0.600 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.82475E-02 ppm1 3.950 ppm2 1.389 CV 1 ASSI { 1883} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 1169 and name HG2 )) 2.600 0.900 0.900 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.26224E-02 ppm1 0.883 ppm2 2.691 CV 1 ASSI { 1885} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 120 and name HB2 )) 3.000 1.100 1.100 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 0.551 ppm2 1.938 CV 1 ASSI { 1910} ( segid " " and resid 119 and name HD2%) ( segid " " and resid 119 and name HD1%) 2.100 0.600 0.600 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.99423E-02 ppm1 0.848 ppm2 0.636 CV 1 ASSI { 1964} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 23 and name HD% ) 3.000 1.100 1.100 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 1.004 ppm2 6.267 CV 1 OR { 1964} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 23 and name HE% ) ASSI { 1970} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HG )) 2.000 0.500 0.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.13275E-01 ppm1 1.003 ppm2 1.962 CV 1 ASSI { 1995} (( segid " " and resid 151 and name HA )) ( segid " " and resid 152 and name HG2%) 2.900 1.000 1.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 4.251 ppm2 1.019 CV 1 OR { 1995} (( segid " " and resid 151 and name HA )) ( segid " " and resid 152 and name HG1%) ASSI { 2075} ( segid " " and resid 64 and name HE% ) ( segid " " and resid 36 and name HG2%) 2.900 1.100 1.100 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 6.777 ppm2 0.661 CV 1 ASSI { 2119} (( segid " " and resid 156 and name HA )) ( segid " " and resid 84 and name HD1%) 3.000 1.100 1.100 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 5.170 ppm2 0.513 CV 1 ASSI { 2135} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 48 and name HN )) 2.700 2.700 3.300 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 1.768 ppm2 8.402 CV 1 ASSI { 2142} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 77 and name HB )) 2.900 1.000 1.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 1.263 ppm2 2.081 CV 1 ASSI { 2172} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 81 and name HG )) 3.100 1.200 1.200 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.90915E-03 ppm1 0.217 ppm2 1.398 CV 1 ASSI { 2175} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HG )) 2.400 0.700 0.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.49478E-02 ppm1 0.218 ppm2 1.222 CV 1 ASSI { 2181} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 79 and name HD1%) 2.400 0.700 0.700 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.47160E-02 ppm1 0.844 ppm2 0.256 CV 1 ASSI { 2190} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 19 and name HD1%) 2.300 0.700 0.700 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.56758E-02 ppm1 0.220 ppm2 0.668 CV 1 ASSI { 2221} ( segid " " and resid 79 and name HD2%) ( segid " " and resid 77 and name HG2%) 2.200 0.600 0.600 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.68531E-02 ppm1 0.279 ppm2 0.795 CV 1 ASSI { 2234} ( segid " " and resid 72 and name HE% ) ( segid " " and resid 9 and name HG1%) 3.000 1.100 1.100 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 6.538 ppm2 0.656 CV 1 ASSI { 2411} (( segid " " and resid 187 and name HD1 )) (( segid " " and resid 188 and name HN )) 3.100 1.200 1.200 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.99609E-03 ppm1 3.117 ppm2 7.930 CV 1 OR { 2411} (( segid " " and resid 187 and name HD2 )) (( segid " " and resid 188 and name HN )) ASSI { 2449} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 45 and name HG2 )) 2.000 0.500 0.500 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.15934E-01 ppm1 1.743 ppm2 2.265 CV 1 OR { 2449} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 45 and name HG1 )) ASSI { 2475} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 6 and name HB1 )) 3.100 1.200 1.200 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 0.560 ppm2 2.285 CV 1 ASSI { 2511} ( segid " " and resid 77 and name HG1%) ( segid " " and resid 172 and name HB% ) 2.500 0.800 0.800 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.37814E-02 ppm1 0.559 ppm2 1.270 CV 1 ASSI { 2530} ( segid " " and resid 75 and name HG2%) ( segid " " and resid 78 and name HD% ) 3.200 1.300 1.300 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 -0.057 ppm2 6.840 CV 1 ASSI { 2737} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 1145 and name HN )) 3.000 1.100 1.100 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 0.895 ppm2 8.521 CV 1 ASSI { 2740} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 1166 and name HA )) 2.300 0.600 0.600 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.62916E-02 ppm1 0.888 ppm2 4.153 CV 1 ASSI { 2741} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HA )) 2.300 0.700 0.700 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.53173E-02 ppm1 0.885 ppm2 4.286 CV 1 ASSI { 2742} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 1141 and name HA )) 2.500 0.800 0.800 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 0.893 ppm2 3.591 CV 1 ASSI { 2760} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 4.432 ppm2 1.948 CV 1 OR { 2760} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG )) ASSI { 2764} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HD1%) 2.500 0.800 0.800 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.33577E-02 ppm1 4.434 ppm2 1.045 CV 1 OR { 2764} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HD2%) ASSI { 2777} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 61 and name HD2%) 2.800 1.000 1.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 1.971 ppm2 1.048 CV 1 ASSI { 2930} ( segid " " and resid 55 and name HD1%) ( segid " " and resid 23 and name HD% ) 3.000 1.100 1.100 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 0.574 ppm2 6.258 CV 1 OR { 2930} ( segid " " and resid 55 and name HD1%) ( segid " " and resid 23 and name HE% ) ASSI { 2934} ( segid " " and resid 55 and name HD1%) ( segid " " and resid 169 and name HD% ) 3.200 1.300 1.300 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 0.576 ppm2 6.454 CV 1 OR { 2934} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 169 and name HZ )) ASSI { 2946} ( segid " " and resid 20 and name HD2%) ( segid " " and resid 40 and name HD% ) 2.800 1.000 1.000 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 0.782 ppm2 6.837 CV 1 OR { 2946} ( segid " " and resid 20 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 2967} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 145 and name HB1 )) 2.500 2.500 3.500 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.32055E-02 ppm1 1.382 ppm2 1.847 CV 1 OR { 2967} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 145 and name HB2 )) ASSI { 2969} (( segid " " and resid 1 and name HG2 )) ( segid " " and resid 3 and name HB% ) 2.900 1.100 1.100 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 2.354 ppm2 1.405 CV 1 ASSI { 2971} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 132 and name HN )) 2.700 2.700 3.300 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.21044E-02 ppm1 1.591 ppm2 7.258 CV 1 ASSI { 3048} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.100 1.200 1.200 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.90915E-03 ppm1 5.123 ppm2 2.682 CV 1 ASSI { 3162} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HG2%) 2.400 0.700 0.700 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.49007E-02 ppm1 4.510 ppm2 0.804 CV 1 ASSI { 3190} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) 2.700 0.900 0.900 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 1.563 ppm2 0.747 CV 1 ASSI { 5788} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 174 and name HA )) 3.100 1.200 1.200 peak 5788 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 0.712 ppm2 3.726 CV 1 ASSI { 5827} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 50 and name HD2 )) 2.200 0.600 0.600 peak 5827 spectrum 1 weight 0.10000E+01 volume 0.73348E-02 ppm1 1.749 ppm2 3.689 CV 1 ASSI { 5832} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 49 and name HE2 )) 2.900 2.900 3.100 peak 5832 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 1.745 ppm2 2.945 CV 1 OR { 5832} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 49 and name HE1 )) ASSI { 5849} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 5849 spectrum 1 weight 0.10000E+01 volume 0.92726E-03 ppm1 1.125 ppm2 5.492 CV 1 ASSI { 5877} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 5877 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 1.062 ppm2 6.789 CV 1 ASSI { 5898} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 25 and name HG1 )) 3.100 1.200 1.200 peak 5898 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 3.055 ppm2 4.245 CV 1 OR { 5898} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 25 and name HB )) ASSI { 5902} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 5902 spectrum 1 weight 0.10000E+01 volume 0.80048E-03 ppm1 1.143 ppm2 3.613 CV 1 ASSI { 5972} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 113 and name HB )) 2.800 2.800 3.200 peak 5972 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 0.630 ppm2 2.023 CV 1 ASSI { 5974} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 2.100 0.500 0.500 peak 5974 spectrum 1 weight 0.10000E+01 volume 0.10751E-01 ppm1 0.629 ppm2 1.725 CV 1 OR { 5974} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HB1 )) ASSI { 5983} ( segid " " and resid 42 and name HB% ) ( segid " " and resid 55 and name HD2%) 2.100 0.500 0.500 peak 5983 spectrum 1 weight 0.10000E+01 volume 0.11692E-01 ppm1 1.135 ppm2 0.808 CV 1 ASSI { 5987} ( segid " " and resid 17 and name HG2%) ( segid " " and resid 21 and name HD1%) 2.400 0.700 0.700 peak 5987 spectrum 1 weight 0.10000E+01 volume 0.49623E-02 ppm1 1.089 ppm2 0.467 CV 1 ASSI { 6016} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 6016 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 3.053 ppm2 7.580 CV 1 ASSI { 6043} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 146 and name HN )) 2.700 2.700 3.300 peak 6043 spectrum 1 weight 0.10000E+01 volume 0.25246E-02 ppm1 0.761 ppm2 8.114 CV 1 ASSI { 6072} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 42 and name HB% ) 3.100 1.200 1.200 peak 6072 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 2.066 ppm2 1.175 CV 1 ASSI { 6127} (( segid " " and resid 179 and name HD1 )) (( segid " " and resid 178 and name HA )) 2.100 2.100 3.900 peak 6127 spectrum 1 weight 0.10000E+01 volume 0.11577E-01 ppm1 3.481 ppm2 4.701 CV 1 OR { 6127} (( segid " " and resid 179 and name HD2 )) (( segid " " and resid 178 and name HA )) ASSI { 6133} (( segid " " and resid 180 and name HD2 )) (( segid " " and resid 179 and name HA )) 2.000 0.500 0.500 peak 6133 spectrum 1 weight 0.10000E+01 volume 0.13801E-01 ppm1 3.835 ppm2 4.666 CV 1 ASSI { 6141} (( segid " " and resid 109 and name HD1 )) (( segid " " and resid 108 and name HA )) 2.900 1.100 1.100 peak 6141 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 3.850 ppm2 4.475 CV 1 ASSI { 6155} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 153 and name HB1 )) 2.200 0.600 0.600 peak 6155 spectrum 1 weight 0.10000E+01 volume 0.69616E-02 ppm1 0.466 ppm2 1.572 CV 1 ASSI { 6178} ( segid " " and resid 165 and name HD1%) ( segid " " and resid 23 and name HD% ) 2.800 1.000 1.000 peak 6178 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 0.980 ppm2 6.249 CV 1 ASSI { 6193} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG )) 3.300 1.400 1.400 peak 6193 spectrum 1 weight 0.10000E+01 volume 0.69182E-03 ppm1 5.513 ppm2 1.035 CV 1 ASSI { 6213} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 173 and name HG12)) 2.800 1.000 1.000 peak 6213 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 0.677 ppm2 1.919 CV 1 OR { 6213} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 173 and name HB )) ASSI { 6221} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 3 and name HA )) 3.200 3.200 2.800 peak 6221 spectrum 1 weight 0.10000E+01 volume 0.84757E-03 ppm1 0.741 ppm2 5.164 CV 1 ASSI { 6239} (( segid " " and resid 2 and name HB2 )) ( segid " " and resid 51 and name HG2%) 2.500 0.800 0.800 peak 6239 spectrum 1 weight 0.10000E+01 volume 0.38974E-02 ppm1 1.991 ppm2 0.782 CV 1 ASSI { 6278} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 53 and name HD1%) 2.800 1.000 1.000 peak 6278 spectrum 1 weight 0.10000E+01 volume 0.18690E-02 ppm1 6.420 ppm2 0.801 CV 1 ASSI { 6284} (( segid " " and resid 166 and name HA )) ( segid " " and resid 23 and name HE% ) 2.900 1.000 1.000 peak 6284 spectrum 1 weight 0.10000E+01 volume 0.15793E-02 ppm1 4.045 ppm2 6.261 CV 1 OR { 6284} (( segid " " and resid 166 and name HA )) ( segid " " and resid 23 and name HD% ) ASSI { 6285} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 131 and name HN )) 2.900 1.100 1.100 peak 6285 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 1.599 ppm2 7.739 CV 1 ASSI { 6302} (( segid " " and resid 166 and name HG2 )) ( segid " " and resid 23 and name HE% ) 3.100 1.200 1.200 peak 6302 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 1.679 ppm2 6.250 CV 1 OR { 6302} (( segid " " and resid 166 and name HG2 )) ( segid " " and resid 23 and name HD% ) ASSI { 6303} (( segid " " and resid 166 and name HG1 )) ( segid " " and resid 23 and name HD% ) 3.100 1.200 1.200 peak 6303 spectrum 1 weight 0.10000E+01 volume 0.99972E-03 ppm1 1.534 ppm2 6.249 CV 1 OR { 6303} (( segid " " and resid 166 and name HG1 )) ( segid " " and resid 23 and name HE% ) ASSI { 6308} ( segid " " and resid 165 and name HD2%) ( segid " " and resid 169 and name HE% ) 2.700 0.900 0.900 peak 6308 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 1.056 ppm2 6.597 CV 1 ASSI { 6354} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 147 and name HN )) 2.400 0.700 0.700 peak 6354 spectrum 1 weight 0.10000E+01 volume 0.49297E-02 ppm1 1.567 ppm2 7.786 CV 1 ASSI { 6357} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HN )) 2.900 1.100 1.100 peak 6357 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 3.947 ppm2 7.716 CV 1 ASSI { 6373} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 142 and name HN )) 3.200 1.300 1.300 peak 6373 spectrum 1 weight 0.10000E+01 volume 0.84395E-03 ppm1 0.123 ppm2 8.108 CV 1 ASSI { 6462} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 6462 spectrum 1 weight 0.10000E+01 volume 0.77513E-03 ppm1 0.545 ppm2 7.186 CV 1 ASSI { 6465} ( segid " " and resid 75 and name HG2%) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 6465 spectrum 1 weight 0.10000E+01 volume 0.95260E-03 ppm1 -0.044 ppm2 5.558 CV 1 ASSI { 6470} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 6470 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 4.434 ppm2 7.576 CV 1 ASSI { 6482} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 48 and name HN )) 2.600 0.800 0.800 peak 6482 spectrum 1 weight 0.10000E+01 volume 0.29991E-02 ppm1 2.269 ppm2 8.408 CV 1 ASSI { 6497} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.800 0.900 0.900 peak 6497 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 3.667 ppm2 8.789 CV 1 ASSI { 6500} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 6500 spectrum 1 weight 0.10000E+01 volume 0.16517E-02 ppm1 3.576 ppm2 8.795 CV 1 ASSI { 6508} (( segid " " and resid 25 and name HB )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 6508 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 4.203 ppm2 7.578 CV 1 ASSI { 6564} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 6564 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 1.873 ppm2 5.141 CV 1 ASSI { 6571} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 145 and name HB2 )) 2.500 0.800 0.800 peak 6571 spectrum 1 weight 0.10000E+01 volume 0.36004E-02 ppm1 0.761 ppm2 1.901 CV 1 ASSI { 6573} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 6573 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 0.762 ppm2 2.302 CV 1 ASSI { 6576} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 120 and name HN )) 2.700 0.900 0.900 peak 6576 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 0.651 ppm2 7.155 CV 1 ASSI { 6578} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HG1%) 2.800 1.000 1.000 peak 6578 spectrum 1 weight 0.10000E+01 volume 0.16734E-02 ppm1 5.475 ppm2 0.800 CV 1 OR { 6578} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HG2%) ASSI { 6599} (( segid " " and resid 177 and name HB1 )) (( segid " " and resid 177 and name HN )) 3.200 1.300 1.300 peak 6599 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 1.566 ppm2 8.132 CV 1 OR { 6599} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 177 and name HN )) ASSI { 6608} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 1169 and name HB2 )) 2.800 1.000 1.000 peak 6608 spectrum 1 weight 0.10000E+01 volume 0.17930E-02 ppm1 0.872 ppm2 2.217 CV 1 ASSI { 6732} ( segid " " and resid 64 and name HD% ) ( segid " " and resid 67 and name HD2%) 2.600 2.600 3.400 peak 6732 spectrum 1 weight 0.10000E+01 volume 0.28035E-02 ppm1 7.023 ppm2 0.859 CV 1 ASSI { 6736} ( segid " " and resid 64 and name HD% ) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 6736 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 7.033 ppm2 1.615 CV 1 ASSI { 6737} ( segid " " and resid 64 and name HD% ) (( segid " " and resid 61 and name HB2 )) 3.000 1.100 1.100 peak 6737 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 7.022 ppm2 1.978 CV 1 ASSI { 8794} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 1140 and name HE2 )) 3.200 1.300 1.300 peak 8794 spectrum 1 weight 0.10000E+01 volume 0.79324E-03 ppm1 0.630 ppm2 2.938 CV 1 ASSI { 9513} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 180 and name HA )) 1.900 0.400 0.400 peak 9513 spectrum 1 weight 0.10000E+01 volume 0.19414E-01 ppm1 3.745 ppm2 4.672 CV 1 ASSI {10554} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 167 and name HB )) 2.700 0.900 0.900 peak 10554 spectrum 1 weight 0.10000E+01 volume 0.22928E-02 ppm1 0.697 ppm2 3.786 CV 1 ASSI {10558} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 173 and name HB )) 2.700 0.900 0.900 peak 10558 spectrum 1 weight 0.10000E+01 volume 0.23290E-02 ppm1 0.665 ppm2 1.935 CV 1 ASSI {10563} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 177 and name HA )) 2.700 0.900 0.900 peak 10563 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 0.879 ppm2 4.129 CV 1 OR {10563} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HA )) ASSI {10564} (( segid " " and resid 144 and name HA )) ( segid " " and resid 143 and name HD2%) 3.100 1.200 1.200 peak 10564 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 3.945 ppm2 0.860 CV 1 ASSI {10576} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 177 and name HG )) 2.400 0.700 0.700 peak 10576 spectrum 1 weight 0.10000E+01 volume 0.41618E-02 ppm1 0.749 ppm2 1.679 CV 1 ASSI {10577} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 173 and name HG12)) 2.300 0.600 0.600 peak 10577 spectrum 1 weight 0.10000E+01 volume 0.63459E-02 ppm1 0.819 ppm2 1.912 CV 1 ASSI {10586} (( segid " " and resid 166 and name HE2 )) (( segid " " and resid 166 and name HD2 )) 1.800 0.400 0.400 peak 10586 spectrum 1 weight 0.10000E+01 volume 0.29574E-01 ppm1 3.059 ppm2 1.730 CV 1 OR {10586} (( segid " " and resid 166 and name HE1 )) (( segid " " and resid 166 and name HD2 )) ASSI {10588} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 169 and name HZ )) 3.000 1.100 1.100 peak 10588 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 1.053 ppm2 6.468 CV 1 ASSI {10592} (( segid " " and resid 161 and name HA )) (( segid " " and resid 160 and name HG )) 2.700 0.900 0.900 peak 10592 spectrum 1 weight 0.10000E+01 volume 0.22638E-02 ppm1 4.182 ppm2 0.797 CV 1 ASSI {10594} (( segid " " and resid 159 and name HA )) (( segid " " and resid 158 and name HA )) 3.200 1.300 1.300 peak 10594 spectrum 1 weight 0.10000E+01 volume 0.79324E-03 ppm1 4.156 ppm2 5.153 CV 1 ASSI {10600} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 155 and name HB1 )) 2.600 0.800 0.800 peak 10600 spectrum 1 weight 0.10000E+01 volume 0.30606E-02 ppm1 2.864 ppm2 1.026 CV 1 ASSI {10606} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HA )) 1.900 1.900 4.100 peak 10606 spectrum 1 weight 0.10000E+01 volume 0.16755E-01 ppm1 1.004 ppm2 3.841 CV 1 ASSI {10610} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HB1 )) 2.300 2.300 3.700 peak 10610 spectrum 1 weight 0.10000E+01 volume 0.66574E-02 ppm1 1.003 ppm2 1.582 CV 1 OR {10610} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HB2 )) ASSI {10621} ( segid " " and resid 139 and name HE% ) (( segid " " and resid 143 and name HG )) 3.000 1.100 1.100 peak 10621 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 6.740 ppm2 1.224 CV 1 ASSI {10623} ( segid " " and resid 139 and name HE% ) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 10623 spectrum 1 weight 0.10000E+01 volume 0.85482E-03 ppm1 6.740 ppm2 4.021 CV 1 OR {10623} ( segid " " and resid 139 and name HE% ) (( segid " " and resid 140 and name HD2 )) ASSI {10627} (( segid " " and resid 19 and name HA )) ( segid " " and resid 165 and name HD2%) 2.900 1.100 1.100 peak 10627 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 3.848 ppm2 1.013 CV 1 ASSI {10637} (( segid " " and resid 87 and name HD2 )) ( segid " " and resid 134 and name HD2%) 3.200 1.300 1.300 peak 10637 spectrum 1 weight 0.10000E+01 volume 0.78237E-03 ppm1 3.956 ppm2 0.874 CV 1 ASSI {10638} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HA )) 2.500 2.500 3.500 peak 10638 spectrum 1 weight 0.10000E+01 volume 0.34373E-02 ppm1 0.849 ppm2 4.388 CV 1 ASSI {10640} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HB1 )) 2.400 0.700 0.700 peak 10640 spectrum 1 weight 0.10000E+01 volume 0.42813E-02 ppm1 0.851 ppm2 2.095 CV 1 ASSI {10641} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HB2 )) 1.900 1.900 4.100 peak 10641 spectrum 1 weight 0.10000E+01 volume 0.20248E-01 ppm1 0.850 ppm2 1.640 CV 1 ASSI {10643} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 133 and name HN )) 3.100 3.100 2.900 peak 10643 spectrum 1 weight 0.10000E+01 volume 0.10323E-02 ppm1 2.515 ppm2 8.041 CV 1 ASSI {10649} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 127 and name HN )) 2.900 2.900 3.100 peak 10649 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 1.453 ppm2 8.359 CV 1 ASSI {10653} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 136 and name HB2 )) 2.800 1.000 1.000 peak 10653 spectrum 1 weight 0.10000E+01 volume 0.19668E-02 ppm1 0.738 ppm2 2.142 CV 1 ASSI {10661} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 163 and name HD1 )) 3.000 1.100 1.100 peak 10661 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 0.703 ppm2 3.078 CV 1 ASSI {10670} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 1169 and name HE% ) 2.200 0.600 0.600 peak 10670 spectrum 1 weight 0.10000E+01 volume 0.79179E-02 ppm1 0.774 ppm2 2.016 CV 1 ASSI {10671} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 1169 and name HG2 )) 3.000 1.100 1.100 peak 10671 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 0.775 ppm2 2.701 CV 1 ASSI {10676} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 1142 and name HA )) 2.700 2.700 3.300 peak 10676 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 0.806 ppm2 3.775 CV 1 ASSI {10693} ( segid " " and resid 23 and name HE% ) (( segid " " and resid 166 and name HD1 )) 3.200 1.300 1.300 peak 10693 spectrum 1 weight 0.10000E+01 volume 0.76426E-03 ppm1 6.212 ppm2 1.716 CV 1 ASSI {10711} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HG1 )) 2.000 0.500 0.500 peak 10711 spectrum 1 weight 0.10000E+01 volume 0.15481E-01 ppm1 1.876 ppm2 2.333 CV 1 OR {10711} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HG2 )) ASSI {10801} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 33 and name HD1%) 3.000 1.200 1.200 peak 10801 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 6.696 ppm2 0.670 CV 1 ASSI {10808} ( segid " " and resid 64 and name HE% ) (( segid " " and resid 64 and name HA )) 3.100 3.100 2.900 peak 10808 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 6.792 ppm2 4.170 CV 1 ASSI {10817} ( segid " " and resid 98 and name HE% ) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.200 peak 10817 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 6.709 ppm2 3.593 CV 1 ASSI {10818} ( segid " " and resid 98 and name HE% ) ( segid " " and resid 110 and name HD1%) 2.800 1.000 1.000 peak 10818 spectrum 1 weight 0.10000E+01 volume 0.19414E-02 ppm1 6.714 ppm2 0.866 CV 1 ASSI {10824} ( segid " " and resid 139 and name HD% ) (( segid " " and resid 143 and name HB1 )) 3.000 1.100 1.100 peak 10824 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 7.060 ppm2 1.204 CV 1 ASSI {10827} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 1 and name HE% ) 3.100 1.200 1.200 peak 10827 spectrum 1 weight 0.10000E+01 volume 0.10070E-02 ppm1 2.225 ppm2 1.902 CV 1 ASSI {10841} (( segid " " and resid 169 and name HZ )) ( segid " " and resid 20 and name HD1%) 3.200 1.300 1.300 peak 10841 spectrum 1 weight 0.10000E+01 volume 0.80048E-03 ppm1 6.490 ppm2 0.838 CV 1 OR {10841} (( segid " " and resid 169 and name HZ )) ( segid " " and resid 20 and name HD2%) ASSI {10849} (( segid " " and resid 177 and name HA )) ( segid " " and resid 177 and name HD1%) 2.200 0.600 0.600 peak 10849 spectrum 1 weight 0.10000E+01 volume 0.80193E-02 ppm1 4.117 ppm2 0.706 CV 1 ASSI {10853} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 168 and name HN )) 2.900 1.100 1.100 peak 10853 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 0.775 ppm2 7.069 CV 1 ASSI {10859} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HG2 )) 2.000 0.500 0.500 peak 10859 spectrum 1 weight 0.10000E+01 volume 0.12779E-01 ppm1 4.224 ppm2 1.360 CV 1 ASSI {10864} (( segid " " and resid 182 and name HA )) (( segid " " and resid 183 and name HB1 )) 2.700 2.700 3.300 peak 10864 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 3.961 ppm2 1.682 CV 1 ASSI {10867} (( segid " " and resid 182 and name HA )) ( segid " " and resid 182 and name HG1%) 1.700 0.400 0.500 peak 10867 spectrum 1 weight 0.10000E+01 volume 0.32389E-01 ppm1 3.961 ppm2 0.883 CV 1 OR {10867} (( segid " " and resid 182 and name HA )) ( segid " " and resid 182 and name HG2%) ASSI {10869} (( segid " " and resid 182 and name HB )) ( segid " " and resid 182 and name HG2%) 1.700 0.300 0.500 peak 10869 spectrum 1 weight 0.10000E+01 volume 0.43176E-01 ppm1 1.950 ppm2 0.884 CV 1 OR {10869} (( segid " " and resid 182 and name HB )) ( segid " " and resid 182 and name HG1%) ASSI {10891} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 147 and name HA )) 2.300 0.600 0.600 peak 10891 spectrum 1 weight 0.10000E+01 volume 0.66900E-02 ppm1 1.784 ppm2 3.982 CV 1 OR {10891} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 147 and name HA )) ASSI {10893} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 180 and name HA )) 3.000 3.000 3.000 peak 10893 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 1.791 ppm2 4.676 CV 1 ASSI {10895} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 180 and name HA )) 3.000 3.000 3.000 peak 10895 spectrum 1 weight 0.10000E+01 volume 0.12496E-02 ppm1 2.202 ppm2 4.689 CV 1 ASSI {10900} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HB1 )) 2.000 0.500 0.500 peak 10900 spectrum 1 weight 0.10000E+01 volume 0.15155E-01 ppm1 2.354 ppm2 1.889 CV 1 OR {10900} (( segid " " and resid 1 and name HG2 )) ( segid " " and resid 1 and name HE% ) ASSI {10911} (( segid " " and resid 1 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.100 3.100 2.900 peak 10911 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 4.301 ppm2 2.610 CV 1 ASSI {10913} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG1 )) 2.400 0.700 0.700 peak 10913 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 4.298 ppm2 2.289 CV 1 ASSI {10921} (( segid " " and resid 179 and name HB1 )) (( segid " " and resid 179 and name HA )) 2.000 0.500 0.500 peak 10921 spectrum 1 weight 0.10000E+01 volume 0.15459E-01 ppm1 1.841 ppm2 4.667 CV 1 ASSI {10926} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HG2 )) 2.700 0.900 0.900 peak 10926 spectrum 1 weight 0.10000E+01 volume 0.22711E-02 ppm1 2.329 ppm2 2.043 CV 1 OR {10926} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HG1 )) ASSI {10928} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 120 and name HB2 )) 3.200 1.300 1.300 peak 10928 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 0.521 ppm2 1.960 CV 1 ASSI {10932} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HG1 )) 2.700 0.900 0.900 peak 10932 spectrum 1 weight 0.10000E+01 volume 0.21117E-02 ppm1 1.000 ppm2 4.209 CV 1 ASSI {10936} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HG )) 2.700 0.900 0.900 peak 10936 spectrum 1 weight 0.10000E+01 volume 0.21044E-02 ppm1 0.996 ppm2 1.490 CV 1 OR {10936} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HB2 )) ASSI {10942} ( segid " " and resid 55 and name HD2%) ( segid " " and resid 169 and name HE% ) 2.600 0.800 0.800 peak 10942 spectrum 1 weight 0.10000E+01 volume 0.29231E-02 ppm1 0.797 ppm2 6.581 CV 1 ASSI {10948} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 169 and name HB1 )) 2.600 0.800 0.800 peak 10948 spectrum 1 weight 0.10000E+01 volume 0.31729E-02 ppm1 0.763 ppm2 2.234 CV 1 ASSI {10951} ( segid " " and resid 155 and name HD2%) (( segid " " and resid 153 and name HE2 )) 2.600 0.800 0.800 peak 10951 spectrum 1 weight 0.10000E+01 volume 0.31766E-02 ppm1 0.772 ppm2 2.856 CV 1 ASSI {10967} (( segid " " and resid 132 and name HE2 )) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 10967 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 2.924 ppm2 7.747 CV 1 OR {10967} (( segid " " and resid 132 and name HE1 )) (( segid " " and resid 131 and name HN )) ASSI {10976} (( segid " " and resid 181 and name HD1 )) (( segid " " and resid 181 and name HA )) 2.800 1.000 1.000 peak 10976 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 3.565 ppm2 4.394 CV 1 ASSI {10979} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 180 and name HA )) 1.800 0.400 0.400 peak 10979 spectrum 1 weight 0.10000E+01 volume 0.25811E-01 ppm1 2.292 ppm2 4.667 CV 1 ASSI {10980} (( segid " " and resid 109 and name HG2 )) ( segid " " and resid 152 and name HG1%) 2.400 0.700 0.700 peak 10980 spectrum 1 weight 0.10000E+01 volume 0.48319E-02 ppm1 1.998 ppm2 1.019 CV 1 OR {10980} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 152 and name HG1%) OR {10980} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 152 and name HG2%) ASSI {11036} (( segid " " and resid 19 and name HG )) ( segid " " and resid 19 and name HD1%) 2.200 0.600 0.600 peak 11036 spectrum 1 weight 0.10000E+01 volume 0.85336E-02 ppm1 1.710 ppm2 0.665 CV 1 ASSI {11040} (( segid " " and resid 177 and name HG )) ( segid " " and resid 177 and name HD2%) 2.300 0.700 0.700 peak 11040 spectrum 1 weight 0.10000E+01 volume 0.59113E-02 ppm1 1.666 ppm2 0.699 CV 1 OR {11040} (( segid " " and resid 177 and name HG )) ( segid " " and resid 177 and name HD1%) ASSI {11054} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 2 and name HG2 )) 2.700 0.900 0.900 peak 11054 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 0.672 ppm2 2.237 CV 1 ASSI {11073} (( segid " " and resid 176 and name HA )) ( segid " " and resid 175 and name HB% ) 3.100 1.200 1.200 peak 11073 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 3.777 ppm2 1.360 CV 1 ASSI {11078} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HD1 )) 2.400 0.700 0.700 peak 11078 spectrum 1 weight 0.10000E+01 volume 0.51036E-02 ppm1 2.080 ppm2 1.638 CV 1 OR {11078} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HD2 )) ASSI {11084} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HB )) 2.100 0.600 0.600 peak 11084 spectrum 1 weight 0.10000E+01 volume 0.98054E-02 ppm1 0.855 ppm2 2.091 CV 1 ASSI {11085} (( segid " " and resid 175 and name HA )) ( segid " " and resid 152 and name HG1%) 2.900 1.000 1.000 peak 11085 spectrum 1 weight 0.10000E+01 volume 0.14959E-02 ppm1 3.973 ppm2 1.016 CV 1 OR {11085} (( segid " " and resid 175 and name HA )) ( segid " " and resid 152 and name HG2%) ASSI {11087} ( segid " " and resid 175 and name HB% ) ( segid " " and resid 152 and name HG2%) 2.100 0.500 0.500 peak 11087 spectrum 1 weight 0.10000E+01 volume 0.10739E-01 ppm1 1.356 ppm2 1.016 CV 1 ASSI {11090} ( segid " " and resid 88 and name HB% ) (( segid " " and resid 91 and name HB2 )) 2.500 2.500 3.500 peak 11090 spectrum 1 weight 0.10000E+01 volume 0.37308E-02 ppm1 1.378 ppm2 1.987 CV 1 OR {11090} ( segid " " and resid 88 and name HB% ) (( segid " " and resid 91 and name HB1 )) ASSI {11111} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 163 and name HG1 )) 2.100 0.600 0.600 peak 11111 spectrum 1 weight 0.10000E+01 volume 0.93844E-02 ppm1 3.057 ppm2 1.578 CV 1 OR {11111} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 163 and name HB1 )) ASSI {11115} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 158 and name HB2 )) 3.000 3.000 3.000 peak 11115 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 3.054 ppm2 4.018 CV 1 ASSI {11120} (( segid " " and resid 126 and name HB )) (( segid " " and resid 126 and name HG12)) 2.900 1.100 1.100 peak 11120 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 1.884 ppm2 1.631 CV 1 ASSI {11121} (( segid " " and resid 173 and name HG12)) (( segid " " and resid 173 and name HG11)) 2.400 0.700 0.700 peak 11121 spectrum 1 weight 0.10000E+01 volume 0.44045E-02 ppm1 1.893 ppm2 0.782 CV 1 OR {11121} (( segid " " and resid 173 and name HG12)) ( segid " " and resid 173 and name HD1%) ASSI {11126} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 173 and name HB )) 2.500 0.800 0.800 peak 11126 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 0.751 ppm2 1.938 CV 1 ASSI {11129} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 177 and name HN )) 3.200 1.300 1.300 peak 11129 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 0.756 ppm2 8.141 CV 1 ASSI {11140} ( segid " " and resid 172 and name HB% ) (( segid " " and resid 111 and name HG11)) 2.600 0.800 0.800 peak 11140 spectrum 1 weight 0.10000E+01 volume 0.31802E-02 ppm1 1.234 ppm2 1.046 CV 1 ASSI {11141} ( segid " " and resid 172 and name HB% ) ( segid " " and resid 77 and name HG2%) 2.200 0.600 0.600 peak 11141 spectrum 1 weight 0.10000E+01 volume 0.78237E-02 ppm1 1.233 ppm2 0.792 CV 1 ASSI {11142} ( segid " " and resid 172 and name HB% ) ( segid " " and resid 111 and name HG2%) 2.300 0.700 0.700 peak 11142 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 1.234 ppm2 0.505 CV 1 OR {11142} ( segid " " and resid 172 and name HB% ) ( segid " " and resid 111 and name HD1%) ASSI {11144} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HG11)) 2.300 0.700 0.700 peak 11144 spectrum 1 weight 0.10000E+01 volume 0.52376E-02 ppm1 0.490 ppm2 1.036 CV 1 OR {11144} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HG12)) ASSI {11150} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 172 and name HB% ) 2.400 0.700 0.700 peak 11150 spectrum 1 weight 0.10000E+01 volume 0.42162E-02 ppm1 0.491 ppm2 1.239 CV 1 ASSI {11201} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 11201 spectrum 1 weight 0.10000E+01 volume 0.17893E-02 ppm1 2.164 ppm2 1.710 CV 1 ASSI {11209} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 113 and name HG2%) 2.400 0.700 0.700 peak 11209 spectrum 1 weight 0.10000E+01 volume 0.49587E-02 ppm1 -0.286 ppm2 0.521 CV 1 ASSI {11210} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 168 and name HG2%) 2.200 0.600 0.600 peak 11210 spectrum 1 weight 0.10000E+01 volume 0.76354E-02 ppm1 -0.285 ppm2 0.710 CV 1 ASSI {11216} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 168 and name HB )) 2.700 0.900 0.900 peak 11216 spectrum 1 weight 0.10000E+01 volume 0.23363E-02 ppm1 -0.285 ppm2 1.709 CV 1 ASSI {11221} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 169 and name HD% ) 3.200 1.200 1.200 peak 11221 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 -0.288 ppm2 6.462 CV 1 OR {11221} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 169 and name HZ )) ASSI {11236} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 171 and name HG1 )) 2.600 0.900 0.900 peak 11236 spectrum 1 weight 0.10000E+01 volume 0.27202E-02 ppm1 1.230 ppm2 2.020 CV 1 ASSI {11237} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 171 and name HG2 )) 2.600 0.900 0.900 peak 11237 spectrum 1 weight 0.10000E+01 volume 0.27962E-02 ppm1 1.226 ppm2 2.438 CV 1 ASSI {11241} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 167 and name HB )) 2.100 0.600 0.600 peak 11241 spectrum 1 weight 0.10000E+01 volume 0.10007E-01 ppm1 1.227 ppm2 3.840 CV 1 OR {11241} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 167 and name HA )) ASSI {11260} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HB2 )) 2.500 0.800 0.800 peak 11260 spectrum 1 weight 0.10000E+01 volume 0.39154E-02 ppm1 1.674 ppm2 1.990 CV 1 ASSI {11263} (( segid " " and resid 166 and name HD2 )) ( segid " " and resid 23 and name HE% ) 3.000 1.200 1.200 peak 11263 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 1.771 ppm2 6.281 CV 1 ASSI {11287} (( segid " " and resid 166 and name HE2 )) (( segid " " and resid 166 and name HB2 )) 2.500 0.800 0.800 peak 11287 spectrum 1 weight 0.10000E+01 volume 0.39698E-02 ppm1 3.060 ppm2 1.994 CV 1 ASSI {11580} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB1 )) 2.600 0.800 0.800 peak 11580 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 3.708 ppm2 1.987 CV 1 OR {11580} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) ASSI {11585} (( segid " " and resid 165 and name HB1 )) ( segid " " and resid 165 and name HD2%) 3.000 1.100 1.100 peak 11585 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 1.168 ppm2 1.016 CV 1 OR {11585} (( segid " " and resid 165 and name HB1 )) ( segid " " and resid 165 and name HD1%) ASSI {11587} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 53 and name HD1%) 2.800 1.000 1.000 peak 11587 spectrum 1 weight 0.10000E+01 volume 0.18653E-02 ppm1 1.136 ppm2 0.790 CV 1 ASSI {11589} (( segid " " and resid 165 and name HB2 )) ( segid " " and resid 165 and name HD1%) 3.100 1.200 1.200 peak 11589 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 1.919 ppm2 1.017 CV 1 ASSI {11593} ( segid " " and resid 165 and name HD1%) ( segid " " and resid 159 and name HB% ) 2.300 0.700 0.700 peak 11593 spectrum 1 weight 0.10000E+01 volume 0.52665E-02 ppm1 0.980 ppm2 1.684 CV 1 ASSI {11602} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 159 and name HA )) 2.400 0.700 0.700 peak 11602 spectrum 1 weight 0.10000E+01 volume 0.41473E-02 ppm1 0.982 ppm2 4.178 CV 1 ASSI {11609} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 85 and name HG1%) 2.400 2.400 3.600 peak 11609 spectrum 1 weight 0.10000E+01 volume 0.49550E-02 ppm1 0.742 ppm2 0.570 CV 1 ASSI {11614} ( segid " " and resid 159 and name HB% ) ( segid " " and resid 165 and name HD2%) 2.600 0.800 0.800 peak 11614 spectrum 1 weight 0.10000E+01 volume 0.28832E-02 ppm1 1.704 ppm2 1.054 CV 1 ASSI {11617} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 61 and name HG )) 2.000 0.500 0.500 peak 11617 spectrum 1 weight 0.10000E+01 volume 0.14825E-01 ppm1 1.058 ppm2 1.967 CV 1 OR {11617} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 61 and name HB2 )) ASSI {11620} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 159 and name HA )) 2.500 0.800 0.800 peak 11620 spectrum 1 weight 0.10000E+01 volume 0.39046E-02 ppm1 1.056 ppm2 4.174 CV 1 ASSI {11630} (( segid " " and resid 163 and name HG2 )) (( segid " " and resid 161 and name HG1 )) 3.100 1.200 1.200 peak 11630 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 1.556 ppm2 5.227 CV 1 ASSI {11632} (( segid " " and resid 187 and name HD2 )) ( segid " " and resid 1164 and name HD2%) 2.400 0.700 0.700 peak 11632 spectrum 1 weight 0.10000E+01 volume 0.44117E-02 ppm1 3.116 ppm2 0.847 CV 1 OR {11632} (( segid " " and resid 187 and name HD2 )) ( segid " " and resid 1164 and name HD1%) OR {11632} (( segid " " and resid 187 and name HD1 )) ( segid " " and resid 1164 and name HD1%) ASSI {11635} (( segid " " and resid 187 and name HD1 )) (( segid " " and resid 187 and name HA )) 2.500 0.800 0.800 peak 11635 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 3.122 ppm2 4.207 CV 1 OR {11635} (( segid " " and resid 187 and name HD2 )) (( segid " " and resid 187 and name HA )) ASSI {11640} (( segid " " and resid 163 and name HD2 )) (( segid " " and resid 118 and name HA )) 2.800 2.800 3.200 peak 11640 spectrum 1 weight 0.10000E+01 volume 0.19523E-02 ppm1 3.116 ppm2 4.309 CV 1 ASSI {11684} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 161 and name HA )) 2.900 2.900 3.100 peak 11684 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 0.434 ppm2 4.189 CV 1 ASSI {11706} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 165 and name HG )) 3.200 1.200 1.200 peak 11706 spectrum 1 weight 0.10000E+01 volume 0.89103E-03 ppm1 2.548 ppm2 1.613 CV 1 ASSI {11710} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name HG2 )) 1.800 0.400 0.400 peak 11710 spectrum 1 weight 0.10000E+01 volume 0.27365E-01 ppm1 1.725 ppm2 1.355 CV 1 OR {11710} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name HG1 )) ASSI {11711} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.000 1.100 1.100 peak 11711 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 1.767 ppm2 8.684 CV 1 ASSI {11728} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB2 )) 2.500 0.800 0.800 peak 11728 spectrum 1 weight 0.10000E+01 volume 0.34990E-02 ppm1 0.579 ppm2 1.582 CV 1 ASSI {11733} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 167 and name HB )) 3.300 1.300 1.300 peak 11733 spectrum 1 weight 0.10000E+01 volume 0.73166E-03 ppm1 0.577 ppm2 3.860 CV 1 ASSI {11748} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HE1 )) 2.800 1.000 1.000 peak 11748 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 1.541 ppm2 2.836 CV 1 OR {11748} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HE2 )) OR {11748} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HE1 )) ASSI {11750} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HD2 )) 2.600 0.900 0.900 peak 11750 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 1.539 ppm2 1.737 CV 1 ASSI {11751} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HG2 )) 2.300 0.700 0.700 peak 11751 spectrum 1 weight 0.10000E+01 volume 0.55309E-02 ppm1 1.541 ppm2 1.321 CV 1 OR {11751} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HG2 )) ASSI {11755} (( segid " " and resid 153 and name HG1 )) ( segid " " and resid 111 and name HD1%) 2.600 2.600 3.400 peak 11755 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 1.273 ppm2 0.501 CV 1 OR {11755} (( segid " " and resid 153 and name HG1 )) ( segid " " and resid 111 and name HG2%) ASSI {11762} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 111 and name HG2%) 2.600 0.900 0.900 peak 11762 spectrum 1 weight 0.10000E+01 volume 0.25644E-02 ppm1 1.334 ppm2 0.512 CV 1 OR {11762} (( segid " " and resid 153 and name HG2 )) ( segid " " and resid 111 and name HD1%) ASSI {11766} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HE2 )) 2.300 0.600 0.600 peak 11766 spectrum 1 weight 0.10000E+01 volume 0.63387E-02 ppm1 1.714 ppm2 2.852 CV 1 ASSI {11767} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HG2 )) 2.300 0.700 0.700 peak 11767 spectrum 1 weight 0.10000E+01 volume 0.57048E-02 ppm1 1.714 ppm2 1.320 CV 1 ASSI {11772} (( segid " " and resid 153 and name HE1 )) (( segid " " and resid 155 and name HB1 )) 2.600 0.800 0.800 peak 11772 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 2.797 ppm2 1.019 CV 1 ASSI {11773} (( segid " " and resid 153 and name HE1 )) ( segid " " and resid 155 and name HD2%) 2.500 0.800 0.800 peak 11773 spectrum 1 weight 0.10000E+01 volume 0.34338E-02 ppm1 2.797 ppm2 0.808 CV 1 ASSI {11777} (( segid " " and resid 152 and name HA )) ( segid " " and resid 151 and name HB% ) 3.100 1.200 1.200 peak 11777 spectrum 1 weight 0.10000E+01 volume 0.94897E-03 ppm1 3.835 ppm2 1.204 CV 1 ASSI {11778} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HB1 )) 3.100 1.200 1.200 peak 11778 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 3.840 ppm2 1.539 CV 1 OR {11778} (( segid " " and resid 152 and name HA )) (( segid " " and resid 153 and name HB2 )) ASSI {11781} (( segid " " and resid 152 and name HB )) (( segid " " and resid 111 and name HA )) 2.900 2.900 3.100 peak 11781 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 2.016 ppm2 4.301 CV 1 ASSI {11783} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG2%) 1.900 0.500 0.500 peak 11783 spectrum 1 weight 0.10000E+01 volume 0.16991E-01 ppm1 2.015 ppm2 1.018 CV 1 OR {11783} (( segid " " and resid 152 and name HB )) ( segid " " and resid 152 and name HG1%) ASSI {11789} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 179 and name HA )) 3.000 1.100 1.100 peak 11789 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 0.999 ppm2 4.674 CV 1 ASSI {11793} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 152 and name HA )) 1.900 0.500 0.500 peak 11793 spectrum 1 weight 0.10000E+01 volume 0.16973E-01 ppm1 0.995 ppm2 3.835 CV 1 ASSI {11803} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HE2 )) 2.500 2.500 3.500 peak 11803 spectrum 1 weight 0.10000E+01 volume 0.35098E-02 ppm1 1.000 ppm2 2.835 CV 1 OR {11803} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 153 and name HE1 )) ASSI {11804} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HB )) 1.800 0.400 0.400 peak 11804 spectrum 1 weight 0.10000E+01 volume 0.25478E-01 ppm1 0.999 ppm2 2.033 CV 1 ASSI {11806} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 153 and name HB1 )) 2.300 2.300 3.700 peak 11806 spectrum 1 weight 0.10000E+01 volume 0.66574E-02 ppm1 0.993 ppm2 1.579 CV 1 OR {11806} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 153 and name HB2 )) ASSI {11807} (( segid " " and resid 151 and name HA )) (( segid " " and resid 152 and name HA )) 3.000 1.200 1.200 peak 11807 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 4.260 ppm2 3.874 CV 1 ASSI {11819} ( segid " " and resid 151 and name HB% ) ( segid " " and resid 152 and name HG2%) 2.400 2.400 3.600 peak 11819 spectrum 1 weight 0.10000E+01 volume 0.44334E-02 ppm1 1.195 ppm2 1.011 CV 1 ASSI {11824} (( segid " " and resid 8 and name HB )) ( segid " " and resid 79 and name HD1%) 3.200 1.300 1.300 peak 11824 spectrum 1 weight 0.10000E+01 volume 0.75702E-03 ppm1 2.092 ppm2 0.240 CV 1 ASSI {11827} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 81 and name HG )) 2.300 0.600 0.600 peak 11827 spectrum 1 weight 0.10000E+01 volume 0.67118E-02 ppm1 0.853 ppm2 1.392 CV 1 ASSI {11830} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 169 and name HE% ) 3.000 1.100 1.100 peak 11830 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 0.951 ppm2 6.562 CV 1 ASSI {11833} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 79 and name HD1%) 2.300 0.600 0.600 peak 11833 spectrum 1 weight 0.10000E+01 volume 0.67516E-02 ppm1 0.952 ppm2 0.255 CV 1 ASSI {11834} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB )) 3.000 1.200 1.200 peak 11834 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 3.542 ppm2 0.917 CV 1 ASSI {11847} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 148 and name HG1 )) 2.800 1.000 1.000 peak 11847 spectrum 1 weight 0.10000E+01 volume 0.18292E-02 ppm1 0.213 ppm2 1.905 CV 1 ASSI {11854} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 145 and name HB2 )) 3.200 1.200 1.200 peak 11854 spectrum 1 weight 0.10000E+01 volume 0.89828E-03 ppm1 0.497 ppm2 1.891 CV 1 OR {11854} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 145 and name HB1 )) ASSI {11863} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HN )) 2.600 0.800 0.800 peak 11863 spectrum 1 weight 0.10000E+01 volume 0.31476E-02 ppm1 3.967 ppm2 7.778 CV 1 ASSI {11866} (( segid " " and resid 127 and name HA )) ( segid " " and resid 126 and name HG2%) 2.700 0.900 0.900 peak 11866 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 3.960 ppm2 0.868 CV 1 ASSI {11867} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HA )) 2.300 0.700 0.700 peak 11867 spectrum 1 weight 0.10000E+01 volume 0.60742E-02 ppm1 1.307 ppm2 3.989 CV 1 ASSI {11871} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HA )) 2.200 0.600 0.600 peak 11871 spectrum 1 weight 0.10000E+01 volume 0.76390E-02 ppm1 1.421 ppm2 3.994 CV 1 ASSI {11873} (( segid " " and resid 147 and name HD1 )) (( segid " " and resid 144 and name HA )) 2.100 0.600 0.600 peak 11873 spectrum 1 weight 0.10000E+01 volume 0.91929E-02 ppm1 1.569 ppm2 3.984 CV 1 ASSI {11874} (( segid " " and resid 147 and name HE1 )) (( segid " " and resid 147 and name HN )) 2.500 2.500 3.500 peak 11874 spectrum 1 weight 0.10000E+01 volume 0.32490E-02 ppm1 2.850 ppm2 7.777 CV 1 OR {11874} (( segid " " and resid 147 and name HE2 )) (( segid " " and resid 147 and name HN )) ASSI {11879} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 154 and name HB2 )) 3.000 1.100 1.100 peak 11879 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 1.381 ppm2 2.721 CV 1 ASSI {11907} ( segid " " and resid 143 and name HD1%) (( segid " " and resid 140 and name HA )) 2.300 0.700 0.700 peak 11907 spectrum 1 weight 0.10000E+01 volume 0.58678E-02 ppm1 0.856 ppm2 3.992 CV 1 OR {11907} ( segid " " and resid 143 and name HD2%) (( segid " " and resid 140 and name HA )) ASSI {11931} (( segid " " and resid 137 and name HG11)) ( segid " " and resid 90 and name HD% ) 3.100 1.200 1.200 peak 11931 spectrum 1 weight 0.10000E+01 volume 0.91277E-03 ppm1 0.711 ppm2 6.232 CV 1 ASSI {11933} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HA )) 2.500 0.800 0.800 peak 11933 spectrum 1 weight 0.10000E+01 volume 0.35569E-02 ppm1 0.707 ppm2 3.869 CV 1 ASSI {11934} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 11934 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 0.709 ppm2 2.175 CV 1 ASSI {11956} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 87 and name HG1 )) 2.500 0.800 0.800 peak 11956 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 0.365 ppm2 1.993 CV 1 ASSI {11964} (( segid " " and resid 135 and name HB )) (( segid " " and resid 136 and name HG1 )) 3.100 1.200 1.200 peak 11964 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 4.111 ppm2 2.182 CV 1 OR {11964} (( segid " " and resid 135 and name HB )) (( segid " " and resid 136 and name HG2 )) ASSI {11980} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 132 and name HA )) 2.800 2.800 3.200 peak 11980 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 0.856 ppm2 4.415 CV 1 ASSI {11984} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD1 )) 2.600 0.900 0.900 peak 11984 spectrum 1 weight 0.10000E+01 volume 0.26912E-02 ppm1 3.850 ppm2 1.635 CV 1 OR {11984} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HD2 )) ASSI {12010} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 2.100 0.600 0.600 peak 12010 spectrum 1 weight 0.10000E+01 volume 0.89140E-02 ppm1 4.041 ppm2 2.140 CV 1 ASSI {12013} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HA )) 2.200 0.600 0.600 peak 12013 spectrum 1 weight 0.10000E+01 volume 0.70233E-02 ppm1 2.101 ppm2 4.046 CV 1 ASSI {12014} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 132 and name HE2 )) 3.000 1.100 1.100 peak 12014 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 2.113 ppm2 2.940 CV 1 OR {12014} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 132 and name HE1 )) ASSI {12016} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 132 and name HG1 )) 2.800 1.000 1.000 peak 12016 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 2.108 ppm2 1.433 CV 1 ASSI {12019} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name HD1 )) 2.800 0.900 0.900 peak 12019 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 2.176 ppm2 1.630 CV 1 OR {12019} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name HD2 )) ASSI {12020} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name HG1 )) 3.000 3.000 3.000 peak 12020 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 2.174 ppm2 1.430 CV 1 ASSI {12023} (( segid " " and resid 131 and name HG1 )) (( segid " " and resid 128 and name HA )) 2.000 0.500 0.500 peak 12023 spectrum 1 weight 0.10000E+01 volume 0.13521E-01 ppm1 2.284 ppm2 4.046 CV 1 ASSI {12031} (( segid " " and resid 127 and name HG1 )) ( segid " " and resid 126 and name HG2%) 2.700 2.700 3.300 peak 12031 spectrum 1 weight 0.10000E+01 volume 0.24195E-02 ppm1 2.290 ppm2 0.866 CV 1 ASSI {12032} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 128 and name HA )) 2.100 0.600 0.600 peak 12032 spectrum 1 weight 0.10000E+01 volume 0.99534E-02 ppm1 2.510 ppm2 4.060 CV 1 ASSI {12035} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 131 and name HB1 )) 2.000 0.500 0.500 peak 12035 spectrum 1 weight 0.10000E+01 volume 0.12402E-01 ppm1 2.510 ppm2 2.128 CV 1 ASSI {12041} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HD2 )) 2.300 0.700 0.700 peak 12041 spectrum 1 weight 0.10000E+01 volume 0.54114E-02 ppm1 4.099 ppm2 1.631 CV 1 OR {12041} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HD1 )) ASSI {12044} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HD1 )) 2.000 0.500 0.500 peak 12044 spectrum 1 weight 0.10000E+01 volume 0.14108E-01 ppm1 1.967 ppm2 1.646 CV 1 ASSI {12070} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 67 and name HD2%) 2.600 0.800 0.800 peak 12070 spectrum 1 weight 0.10000E+01 volume 0.29375E-02 ppm1 1.610 ppm2 0.869 CV 1 OR {12070} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 67 and name HD2%) ASSI {12154} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HG2%) 2.700 0.900 0.900 peak 12154 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 4.364 ppm2 0.631 CV 1 ASSI {12211} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 126 and name HA )) 2.900 2.900 3.100 peak 12211 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 0.620 ppm2 3.459 CV 1 ASSI {12261} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HG )) 2.300 0.600 0.600 peak 12261 spectrum 1 weight 0.10000E+01 volume 0.63205E-02 ppm1 0.616 ppm2 1.780 CV 1 OR {12261} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB2 )) ASSI {12322} (( segid " " and resid 126 and name HB )) (( segid " " and resid 127 and name HG2 )) 3.200 1.300 1.300 peak 12322 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 1.880 ppm2 2.337 CV 1 ASSI {12330} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HB2 )) 2.500 2.500 3.500 peak 12330 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 0.858 ppm2 2.059 CV 1 ASSI {12336} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB1 )) 2.300 0.700 0.700 peak 12336 spectrum 1 weight 0.10000E+01 volume 0.52846E-02 ppm1 2.363 ppm2 1.633 CV 1 ASSI {12337} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 123 and name HG2 )) 2.700 2.700 3.300 peak 12337 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 2.365 ppm2 1.457 CV 1 ASSI {12350} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HG2 )) 2.500 0.800 0.800 peak 12350 spectrum 1 weight 0.10000E+01 volume 0.33178E-02 ppm1 0.859 ppm2 2.331 CV 1 ASSI {12359} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 123 and name HE1 )) 3.000 1.100 1.100 peak 12359 spectrum 1 weight 0.10000E+01 volume 0.13112E-02 ppm1 0.743 ppm2 2.923 CV 1 ASSI {12360} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 121 and name HB2 )) 2.700 2.700 3.300 peak 12360 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 0.741 ppm2 2.727 CV 1 ASSI {12371} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 127 and name HN )) 3.000 3.000 3.000 peak 12371 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 1.165 ppm2 8.394 CV 1 ASSI {12386} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 123 and name HB2 )) 3.000 1.200 1.200 peak 12386 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 2.562 ppm2 1.824 CV 1 ASSI {12393} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 122 and name HA )) 3.100 1.200 1.200 peak 12393 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 1.750 ppm2 4.570 CV 1 ASSI {12394} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 122 and name HA )) 3.000 3.000 3.000 peak 12394 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 1.844 ppm2 4.567 CV 1 ASSI {12401} (( segid " " and resid 120 and name HA )) ( segid " " and resid 119 and name HD1%) 3.000 1.100 1.100 peak 12401 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.510 ppm2 0.663 CV 1 ASSI {12409} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 120 and name HB1 )) 2.400 0.700 0.700 peak 12409 spectrum 1 weight 0.10000E+01 volume 0.43755E-02 ppm1 0.653 ppm2 1.585 CV 1 ASSI {12423} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 120 and name HN )) 3.000 1.100 1.100 peak 12423 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 0.713 ppm2 7.122 CV 1 ASSI {12424} ( segid " " and resid 82 and name HE% ) (( segid " " and resid 137 and name HG11)) 3.000 1.200 1.200 peak 12424 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 7.112 ppm2 0.659 CV 1 ASSI {12431} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 113 and name HB )) 3.000 1.100 1.100 peak 12431 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 0.590 ppm2 1.998 CV 1 ASSI {12436} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 114 and name HN )) 2.900 1.000 1.000 peak 12436 spectrum 1 weight 0.10000E+01 volume 0.15539E-02 ppm1 0.348 ppm2 8.835 CV 1 ASSI { 356} ( segid " " and resid 101 and name HG2%) (( segid " " and resid 98 and name HA )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 0.377 ppm2 4.382 CV 1 ASSI { 487} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HA )) 2.900 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 0.356 ppm2 4.870 CV 1 ASSI { 819} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HB )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 0.349 ppm2 1.994 CV 1 ASSI { 917} ( segid " " and resid 101 and name HG2%) (( segid " " and resid 101 and name HB )) 2.800 0.900 0.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 0.375 ppm2 1.407 CV 1 ASSI { 919} ( segid " " and resid 101 and name HG2%) ( segid " " and resid 101 and name HG1%) 2.400 0.700 0.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.47305E-02 ppm1 0.371 ppm2 -0.210 CV 1 ASSI { 920} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HN )) 3.200 1.300 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 0.483 ppm2 8.828 CV 1 ASSI { 930} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 155 and name HN )) 3.200 1.300 1.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 0.494 ppm2 8.304 CV 1 ASSI { 934} ( segid " " and resid 175 and name HB% ) ( segid " " and resid 176 and name HG2%) 2.100 0.600 0.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.95875E-02 ppm1 1.362 ppm2 0.834 CV 1 OR { 934} ( segid " " and resid 175 and name HB% ) ( segid " " and resid 176 and name HG1%) ASSI { 942} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HA )) 3.100 1.200 1.200 peak 942 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 0.488 ppm2 4.865 CV 1 ASSI { 945} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HB )) 2.900 1.000 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.485 ppm2 1.987 CV 1 ASSI { 955} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 84 and name HD2%) 2.500 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34156E-02 ppm1 0.504 ppm2 1.021 CV 1 ASSI { 956} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 175 and name HN )) 2.900 2.900 3.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 1.003 ppm2 7.799 CV 1 ASSI { 964} (( segid " " and resid 163 and name HG1 )) (( segid " " and resid 163 and name HN )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 1.437 ppm2 7.844 CV 1 ASSI { 967} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 149 and name HD1%) 2.700 0.900 0.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.22855E-02 ppm1 1.184 ppm2 0.513 CV 1 ASSI { 1000} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HD1%) 2.800 1.000 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.19161E-02 ppm1 5.132 ppm2 0.803 CV 1 ASSI { 1005} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) 2.900 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 5.127 ppm2 1.787 CV 1 OR { 1005} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB1 )) ASSI { 1009} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HB1 )) 2.600 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 1.165 ppm2 1.628 CV 1 ASSI { 1010} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 1140 and name HB2 )) 3.000 1.100 1.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 0.613 ppm2 2.035 CV 1 ASSI { 1011} (( segid " " and resid 152 and name HB )) ( segid " " and resid 175 and name HB% ) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.46218E-02 ppm1 2.010 ppm2 1.392 CV 1 ASSI { 1012} (( segid " " and resid 61 and name HG )) ( segid " " and resid 64 and name HD% ) 3.200 1.300 1.300 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.83308E-03 ppm1 1.929 ppm2 7.032 CV 1 ASSI { 1016} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 82 and name HE% ) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 0.787 ppm2 7.130 CV 1 ASSI { 1018} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 90 and name HE% ) 3.200 1.200 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 0.786 ppm2 6.707 CV 1 ASSI { 1019} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HG )) 3.000 1.200 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 0.786 ppm2 1.967 CV 1 ASSI { 1020} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 3.990 ppm2 1.666 CV 1 ASSI { 1032} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 112 and name HD2%) 2.300 0.600 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.64256E-02 ppm1 0.784 ppm2 1.139 CV 1 ASSI { 1035} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 1.178 ppm2 5.175 CV 1 ASSI { 1039} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HE1 )) 2.200 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.76354E-02 ppm1 1.549 ppm2 2.935 CV 1 OR { 1039} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HE2 )) ASSI { 1041} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HG )) 2.900 1.100 1.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 1.194 ppm2 1.909 CV 1 ASSI { 1042} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 52 and name HB1 )) 2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.23109E-02 ppm1 1.872 ppm2 2.592 CV 1 ASSI { 1046} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 109 and name HA )) 2.900 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 0.713 ppm2 4.430 CV 1 ASSI { 1048} ( segid " " and resid 61 and name HD2%) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.31078E-02 ppm1 1.056 ppm2 4.438 CV 1 ASSI { 1051} ( segid " " and resid 53 and name HD2%) (( segid " " and resid 6 and name HB1 )) 3.100 3.100 2.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 0.895 ppm2 2.280 CV 1 ASSI { 1052} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 132 and name HE1 )) 3.100 3.100 2.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 0.863 ppm2 2.948 CV 1 ASSI { 1055} (( segid " " and resid 4 and name HG11)) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 1.010 ppm2 4.400 CV 1 ASSI { 1056} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 110 and name HN )) 3.000 1.100 1.100 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 1.727 ppm2 8.604 CV 1 ASSI { 1061} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HN )) 2.500 2.500 3.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.37706E-02 ppm1 0.853 ppm2 8.460 CV 1 ASSI { 1065} (( segid " " and resid 111 and name HG12)) ( segid " " and resid 79 and name HD2%) 3.100 1.200 1.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10649E-02 ppm1 1.073 ppm2 0.305 CV 1 ASSI { 1066} (( segid " " and resid 111 and name HG12)) (( segid " " and resid 172 and name HA )) 3.100 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.065 ppm2 3.737 CV 1 ASSI { 1067} (( segid " " and resid 4 and name HG11)) ( segid " " and resid 4 and name HD1%) 2.400 0.700 0.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.50963E-02 ppm1 1.025 ppm2 0.758 CV 1 ASSI { 1068} (( segid " " and resid 111 and name HG11)) ( segid " " and resid 79 and name HD2%) 3.200 1.300 1.300 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 1.026 ppm2 0.307 CV 1 ASSI { 1073} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 153 and name HN )) 3.200 1.300 1.300 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.85844E-03 ppm1 0.497 ppm2 7.073 CV 1 ASSI { 1074} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 37 and name HD% ) 2.800 0.900 0.900 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.20211E-02 ppm1 0.630 ppm2 7.153 CV 1 ASSI { 1075} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HA )) 2.800 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.19813E-02 ppm1 0.485 ppm2 4.338 CV 1 ASSI { 1078} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 155 and name HD2%) 2.300 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.53064E-02 ppm1 0.491 ppm2 0.794 CV 1 ASSI { 1079} ( segid " " and resid 77 and name HG2%) ( segid " " and resid 111 and name HD1%) 2.400 0.700 0.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.49441E-02 ppm1 0.772 ppm2 0.488 CV 1 ASSI { 1081} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 149 and name HD1%) 3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 0.797 ppm2 0.491 CV 1 ASSI { 1083} ( segid " " and resid 36 and name HG1%) ( segid " " and resid 64 and name HE% ) 3.200 1.300 1.300 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 0.629 ppm2 6.809 CV 1 ASSI { 1084} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 79 and name HD2%) 2.400 0.700 0.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.45820E-02 ppm1 0.489 ppm2 0.302 CV 1 ASSI { 1086} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 168 and name HG1%) 3.000 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.11482E-02 ppm1 0.489 ppm2 -0.274 CV 1 ASSI { 1088} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 111 and name HA )) 2.600 0.900 0.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.27492E-02 ppm1 0.466 ppm2 4.343 CV 1 ASSI { 1090} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 175 and name HB% ) 2.000 0.500 0.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.13246E-01 ppm1 0.466 ppm2 1.352 CV 1 ASSI { 1091} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 152 and name HG2%) 1.800 0.400 0.400 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.22015E-01 ppm1 0.466 ppm2 1.023 CV 1 ASSI { 1098} (( segid " " and resid 110 and name HG12)) ( segid " " and resid 110 and name HD1%) 2.700 0.900 0.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 1.838 ppm2 0.830 CV 1 ASSI { 1104} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HA )) 3.000 1.200 1.200 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 0.723 ppm2 4.857 CV 1 ASSI { 1105} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.22167E-02 ppm1 0.669 ppm2 4.431 CV 1 ASSI { 1106} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HD1 )) 2.800 1.000 1.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 0.752 ppm2 3.473 CV 1 ASSI { 1108} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 25 and name HG2%) 2.300 0.600 0.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.65669E-02 ppm1 0.694 ppm2 1.172 CV 1 ASSI { 1247} ( segid " " and resid 101 and name HG1%) ( segid " " and resid 110 and name HD1%) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.21262E-02 ppm1 -0.217 ppm2 0.825 CV 1 ASSI { 1296} (( segid " " and resid 192 and name HA )) (( segid " " and resid 192 and name HB2 )) 2.300 0.700 0.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.57663E-02 ppm1 4.096 ppm2 1.498 CV 1 OR { 1296} (( segid " " and resid 192 and name HA )) (( segid " " and resid 192 and name HB1 )) ASSI { 1298} (( segid " " and resid 1 and name HG1 )) (( segid " " and resid 52 and name HB2 )) 3.000 3.000 3.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 2.328 ppm2 2.681 CV 1 ASSI { 1304} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 181 and name HA )) 2.500 0.800 0.800 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 0.885 ppm2 4.396 CV 1 ASSI { 1478} ( segid " " and resid 101 and name HG1%) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 -0.224 ppm2 3.025 CV 1 ASSI { 1479} ( segid " " and resid 101 and name HG1%) (( segid " " and resid 101 and name HB )) 2.900 1.100 1.100 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 -0.214 ppm2 1.401 CV 1 ASSI { 1482} ( segid " " and resid 101 and name HG1%) ( segid " " and resid 108 and name HG2%) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 -0.216 ppm2 1.230 CV 1 ASSI { 1483} ( segid " " and resid 101 and name HG1%) ( segid " " and resid 110 and name HG2%) 2.900 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 -0.226 ppm2 0.703 CV 1 ASSI { 1486} ( segid " " and resid 101 and name HG2%) (( segid " " and resid 101 and name HA )) 2.800 1.000 1.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 0.374 ppm2 3.023 CV 1 ASSI { 1493} (( segid " " and resid 31 and name HG1 )) (( segid " " and resid 31 and name HA )) 2.500 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.38937E-02 ppm1 2.034 ppm2 4.251 CV 1 OR { 1493} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HA )) ASSI { 1510} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 2 and name HE21)) 3.000 1.100 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 0.667 ppm2 6.748 CV 1 ASSI { 1514} (( segid " " and resid 98 and name HA )) (( segid " " and resid 101 and name HB )) 3.100 1.200 1.200 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 4.351 ppm2 1.399 CV 1 ASSI { 1516} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB1 )) 3.200 1.200 1.200 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 3.962 ppm2 1.053 CV 1 ASSI { 1517} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 98 and name HE% ) 3.300 1.400 1.400 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.68096E-03 ppm1 3.263 ppm2 6.707 CV 1 ASSI { 1523} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HB2 )) 3.200 3.200 2.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.77150E-03 ppm1 0.944 ppm2 1.186 CV 1 ASSI { 1524} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HG2 )) 3.300 1.400 1.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.69545E-03 ppm1 0.954 ppm2 0.551 CV 1 ASSI { 1526} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 49 and name HG2 )) 3.000 1.100 1.100 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 3.652 ppm2 1.333 CV 1 OR { 1526} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 49 and name HG1 )) ASSI { 1527} (( segid " " and resid 163 and name HG2 )) (( segid " " and resid 158 and name HN )) 3.200 1.200 1.200 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 1.560 ppm2 8.383 CV 1 ASSI { 1531} (( segid " " and resid 96 and name HE1 )) (( segid " " and resid 96 and name HG2 )) 2.800 1.000 1.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 2.137 ppm2 0.522 CV 1 OR { 1531} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 96 and name HG2 )) ASSI { 1539} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HA )) 2.800 1.000 1.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.18835E-02 ppm1 1.365 ppm2 4.006 CV 1 OR { 1539} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HA )) ASSI { 1543} ( segid " " and resid 36 and name HG1%) ( segid " " and resid 64 and name HD% ) 3.100 1.200 1.200 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.95260E-03 ppm1 0.616 ppm2 7.080 CV 1 ASSI { 1545} (( segid " " and resid 96 and name HD1 )) (( segid " " and resid 96 and name HE2 )) 2.900 1.100 1.100 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 0.623 ppm2 2.149 CV 1 OR { 1545} (( segid " " and resid 96 and name HD1 )) (( segid " " and resid 96 and name HE1 )) ASSI { 1549} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 82 and name HE% ) 3.200 1.300 1.300 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.75340E-03 ppm1 0.797 ppm2 7.158 CV 1 ASSI { 1552} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HB1 )) 2.800 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 0.836 ppm2 0.979 CV 1 ASSI { 1553} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HD1 )) 2.700 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.22131E-02 ppm1 0.843 ppm2 0.630 CV 1 ASSI { 1556} (( segid " " and resid 96 and name HD2 )) (( segid " " and resid 96 and name HG1 )) 3.000 1.200 1.200 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 0.840 ppm2 -0.263 CV 1 ASSI { 1557} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 1.002 ppm2 4.876 CV 1 ASSI { 1559} (( segid " " and resid 96 and name HE1 )) (( segid " " and resid 96 and name HD2 )) 2.700 0.900 0.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.22855E-02 ppm1 2.146 ppm2 0.862 CV 1 OR { 1559} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 96 and name HD2 )) ASSI { 1562} (( segid " " and resid 96 and name HE1 )) (( segid " " and resid 96 and name HG1 )) 2.900 1.000 1.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 2.153 ppm2 -0.260 CV 1 OR { 1562} (( segid " " and resid 96 and name HE2 )) (( segid " " and resid 96 and name HG1 )) ASSI { 1576} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 95 and name HA )) 2.000 0.500 0.500 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.12007E-01 ppm1 1.373 ppm2 4.113 CV 1 ASSI { 1581} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 94 and name HN )) 2.800 2.800 3.200 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.18327E-02 ppm1 1.370 ppm2 6.360 CV 1 ASSI { 1583} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 3 and name HA )) 2.200 0.600 0.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.87799E-02 ppm1 1.369 ppm2 5.178 CV 1 ASSI { 1584} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 92 and name HA )) 2.400 0.700 0.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.46834E-02 ppm1 1.375 ppm2 4.844 CV 1 ASSI { 1589} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.41437E-02 ppm1 1.368 ppm2 2.663 CV 1 ASSI { 1592} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 91 and name HG1 )) 2.500 2.500 3.500 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.39952E-02 ppm1 1.372 ppm2 2.277 CV 1 OR { 1592} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 91 and name HG2 )) ASSI { 1595} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG2 )) 3.100 1.200 1.200 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 2.291 ppm2 1.392 CV 1 OR { 1595} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG1 )) ASSI { 1599} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 4 and name HG12)) 2.700 0.900 0.900 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 2.251 ppm2 1.402 CV 1 ASSI { 1606} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 91 and name HB2 )) 3.000 3.000 3.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 1.370 ppm2 2.052 CV 1 ASSI { 1607} ( segid " " and resid 95 and name HB% ) (( segid " " and resid 94 and name HB1 )) 2.600 2.600 3.400 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 1.371 ppm2 1.707 CV 1 ASSI { 1610} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) 2.800 1.000 1.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.19958E-02 ppm1 1.660 ppm2 4.019 CV 1 ASSI { 1625} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HA )) 2.900 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.16408E-02 ppm1 0.794 ppm2 3.702 CV 1 ASSI { 1627} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 1141 and name HA )) 2.900 1.000 1.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 0.808 ppm2 3.607 CV 1 ASSI { 1630} (( segid " " and resid 93 and name HB )) ( segid " " and resid 93 and name HG2%) 3.100 1.200 1.200 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.97793E-03 ppm1 2.339 ppm2 1.216 CV 1 ASSI { 1640} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 11 and name HN )) 2.900 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 0.799 ppm2 8.111 CV 1 ASSI { 1641} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 90 and name HD% ) 3.200 1.200 1.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 0.797 ppm2 6.278 CV 1 ASSI { 1646} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HA )) 2.100 0.500 0.500 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.11479E-01 ppm1 0.797 ppm2 4.428 CV 1 ASSI { 1647} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 170 and name HB2 )) 2.900 2.900 3.100 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 0.795 ppm2 2.641 CV 1 ASSI { 1649} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 170 and name HB1 )) 3.200 1.300 1.300 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.82946E-03 ppm1 0.800 ppm2 2.495 CV 1 ASSI { 1650} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HB )) 2.300 0.700 0.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.56613E-02 ppm1 0.796 ppm2 2.272 CV 1 ASSI { 1664} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 93 and name HG2%) 2.100 0.600 0.600 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.94468E-02 ppm1 0.796 ppm2 1.211 CV 1 ASSI { 1666} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 94 and name HN )) 3.300 3.300 2.700 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.73166E-03 ppm1 1.207 ppm2 6.362 CV 1 ASSI { 1702} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 4 and name HN )) 3.200 1.300 1.300 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 0.665 ppm2 8.367 CV 1 ASSI { 1704} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 176 and name HA )) 3.100 3.100 2.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.96713E-03 ppm1 0.661 ppm2 3.772 CV 1 ASSI { 1705} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 29 and name HG2 )) 3.200 1.300 1.300 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 0.686 ppm2 2.336 CV 1 OR { 1705} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 29 and name HG1 )) ASSI { 1707} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 162 and name HE22)) 3.100 1.200 1.200 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 2.808 ppm2 7.210 CV 1 ASSI { 1714} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.500 0.800 0.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.39843E-02 ppm1 2.802 ppm2 4.454 CV 1 ASSI { 1716} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.900 0.500 0.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.17147E-01 ppm1 2.801 ppm2 3.071 CV 1 ASSI { 1717} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 162 and name HE22)) 3.300 1.300 1.300 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.71355E-03 ppm1 3.056 ppm2 7.202 CV 1 ASSI { 1718} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 27 and name HB% ) 2.900 1.000 1.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 2.799 ppm2 1.105 CV 1 ASSI { 1724} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.17169E-02 ppm1 1.956 ppm2 3.730 CV 1 ASSI { 1732} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG1 )) 2.500 0.800 0.800 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.37779E-02 ppm1 1.911 ppm2 1.325 CV 1 OR { 1732} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG2 )) ASSI { 1736} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.600 0.900 0.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.25717E-02 ppm1 2.038 ppm2 4.185 CV 1 ASSI { 1743} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HA )) 2.700 0.900 0.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.24123E-02 ppm1 2.003 ppm2 3.791 CV 1 OR { 1743} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) ASSI { 1744} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.20936E-02 ppm1 2.024 ppm2 3.742 CV 1 ASSI { 1755} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HA )) 2.400 0.700 0.700 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.48609E-02 ppm1 2.260 ppm2 3.732 CV 1 OR { 1755} (( segid " " and resid 91 and name HG1 )) (( segid " " and resid 91 and name HA )) ASSI { 1763} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 2 and name HE21)) 3.300 1.300 1.300 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.71355E-03 ppm1 0.736 ppm2 6.754 CV 1 ASSI { 1769} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 117 and name HD2%) 2.300 0.600 0.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.67480E-02 ppm1 0.516 ppm2 0.718 CV 1 ASSI { 1776} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 114 and name HN )) 3.100 1.200 1.200 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 0.996 ppm2 8.824 CV 1 ASSI { 1824} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.30715E-02 ppm1 1.510 ppm2 3.925 CV 1 ASSI { 1827} (( segid " " and resid 187 and name HA )) (( segid " " and resid 188 and name HN )) 2.500 0.800 0.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.37670E-02 ppm1 4.244 ppm2 7.944 CV 1 ASSI { 1837} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 85 and name HB )) 2.700 0.900 0.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.21044E-02 ppm1 0.609 ppm2 2.409 CV 1 ASSI { 1845} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 85 and name HA )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 0.546 ppm2 4.386 CV 1 ASSI { 1850} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.11482E-02 ppm1 0.550 ppm2 3.549 CV 1 ASSI { 1854} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 85 and name HB )) 2.700 0.900 0.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.21080E-02 ppm1 0.546 ppm2 2.420 CV 1 ASSI { 1857} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 136 and name HG2 )) 3.000 1.200 1.200 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 0.556 ppm2 2.191 CV 1 OR { 1857} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 136 and name HG1 )) ASSI { 1880} (( segid " " and resid 70 and name HA )) ( segid " " and resid 70 and name HD1%) 2.400 0.700 0.700 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.50311E-02 ppm1 3.943 ppm2 0.801 CV 1 ASSI { 1881} ( segid " " and resid 110 and name HD1%) ( segid " " and resid 101 and name HG2%) 2.800 1.000 1.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 0.843 ppm2 0.396 CV 1 ASSI { 1886} (( segid " " and resid 81 and name HB1 )) ( segid " " and resid 8 and name HG1%) 3.200 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 2.134 ppm2 0.820 CV 1 ASSI { 1891} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 72 and name HD% ) 3.000 1.100 1.100 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 1.014 ppm2 6.839 CV 1 ASSI { 1902} ( segid " " and resid 85 and name HG1%) ( segid " " and resid 125 and name HG2%) 2.400 0.700 0.700 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.49333E-02 ppm1 0.547 ppm2 1.175 CV 1 ASSI { 1906} ( segid " " and resid 85 and name HG1%) ( segid " " and resid 119 and name HD2%) 2.300 2.300 3.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.58461E-02 ppm1 0.556 ppm2 0.835 CV 1 ASSI { 1934} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 49 and name HG2 )) 3.000 1.200 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 3.599 ppm2 1.326 CV 1 OR { 1934} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 49 and name HG1 )) ASSI { 1944} ( segid " " and resid 85 and name HG2%) ( segid " " and resid 125 and name HG2%) 2.500 0.800 0.800 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.36511E-02 ppm1 0.611 ppm2 1.186 CV 1 ASSI { 1945} (( segid " " and resid 163 and name HG1 )) (( segid " " and resid 163 and name HA )) 2.800 1.000 1.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.18327E-02 ppm1 1.438 ppm2 4.172 CV 1 ASSI { 1950} (( segid " " and resid 163 and name HG1 )) (( segid " " and resid 163 and name HD2 )) 2.300 0.700 0.700 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.56649E-02 ppm1 1.436 ppm2 3.108 CV 1 ASSI { 1951} (( segid " " and resid 163 and name HG1 )) ( segid " " and resid 117 and name HD1%) 2.600 0.900 0.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.26731E-02 ppm1 1.432 ppm2 0.501 CV 1 ASSI { 1959} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.95260E-03 ppm1 0.800 ppm2 4.450 CV 1 ASSI { 1961} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 64 and name HE% ) 2.800 1.000 1.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.17386E-02 ppm1 1.006 ppm2 6.809 CV 1 ASSI { 1965} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HA )) 2.200 0.600 0.600 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.71609E-02 ppm1 1.003 ppm2 4.447 CV 1 ASSI { 1968} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 62 and name HG2 )) 2.600 2.600 3.400 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.27890E-02 ppm1 1.002 ppm2 2.276 CV 1 OR { 1968} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 62 and name HG1 )) ASSI { 2006} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 155 and name HD2%) 2.600 2.600 3.400 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 1.544 ppm2 0.797 CV 1 OR { 2006} (( segid " " and resid 153 and name HB2 )) ( segid " " and resid 155 and name HD2%) ASSI { 2010} ( segid " " and resid 59 and name HB% ) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.11917E-02 ppm1 1.267 ppm2 4.262 CV 1 ASSI { 2028} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HG12)) 3.200 1.300 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.77150E-03 ppm1 1.522 ppm2 1.278 CV 1 ASSI { 2035} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HB )) 2.700 0.900 0.900 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.22529E-02 ppm1 0.800 ppm2 1.577 CV 1 ASSI { 2038} (( segid " " and resid 33 and name HG12)) (( segid " " and resid 33 and name HA )) 3.100 1.200 1.200 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 1.276 ppm2 4.188 CV 1 ASSI { 2045} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 121 and name HN )) 3.200 1.300 1.300 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 0.740 ppm2 7.311 CV 1 ASSI { 2049} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 29 and name HD1 )) 3.200 1.300 1.300 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 1.064 ppm2 3.251 CV 1 ASSI { 2051} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG )) 3.100 1.200 1.200 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 5.127 ppm2 1.185 CV 1 ASSI { 2061} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 33 and name HD1%) 2.600 0.800 0.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 2.033 ppm2 0.657 CV 1 OR { 2061} (( segid " " and resid 31 and name HG1 )) ( segid " " and resid 33 and name HD1%) ASSI { 2063} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 3.200 1.300 1.300 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.82946E-03 ppm1 5.120 ppm2 0.969 CV 1 ASSI { 2104} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB )) 3.100 1.200 1.200 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.98519E-03 ppm1 3.580 ppm2 4.046 CV 1 ASSI { 2111} ( segid " " and resid 79 and name HD2%) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 0.281 ppm2 5.145 CV 1 ASSI { 2113} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 79 and name HD1%) 3.200 1.200 1.200 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.89828E-03 ppm1 0.933 ppm2 0.219 CV 1 ASSI { 2134} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 111 and name HG11)) 3.300 3.300 2.700 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.72804E-03 ppm1 1.653 ppm2 0.998 CV 1 ASSI { 2167} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HG1 )) 2.800 1.000 1.000 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.19813E-02 ppm1 1.059 ppm2 5.254 CV 1 ASSI { 2169} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HB2 )) 2.700 0.900 0.900 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.23290E-02 ppm1 0.220 ppm2 1.701 CV 1 ASSI { 2196} ( segid " " and resid 77 and name HG1%) ( segid " " and resid 79 and name HD2%) 3.000 1.100 1.100 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 0.559 ppm2 0.279 CV 1 ASSI { 2223} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HD22)) 3.200 1.300 1.300 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.77875E-03 ppm1 2.239 ppm2 7.149 CV 1 ASSI { 2273} (( segid " " and resid 176 and name HB )) ( segid " " and resid 176 and name HG1%) 2.200 0.600 0.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.84613E-02 ppm1 2.084 ppm2 0.878 CV 1 OR { 2273} (( segid " " and resid 176 and name HB )) ( segid " " and resid 176 and name HG2%) ASSI { 2282} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 6.520 ppm2 1.315 CV 1 OR { 2282} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 55 and name HB2 )) ASSI { 2295} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 6 and name HA )) 3.300 1.300 1.300 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.70269E-03 ppm1 0.566 ppm2 5.555 CV 1 ASSI { 2347} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 62 and name HN )) 2.600 0.800 0.800 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.29520E-02 ppm1 1.005 ppm2 9.007 CV 1 ASSI { 2352} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 111 and name HN )) 2.900 1.000 1.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.717 ppm2 9.025 CV 1 ASSI { 2354} (( segid " " and resid 177 and name HA )) (( segid " " and resid 178 and name HN )) 2.800 1.000 1.000 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 4.117 ppm2 8.161 CV 1 ASSI { 2370} (( segid " " and resid 163 and name HD2 )) (( segid " " and resid 158 and name HN )) 3.100 3.100 2.900 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.98883E-03 ppm1 3.117 ppm2 8.341 CV 1 ASSI { 2383} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HA )) 2.600 0.900 0.900 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.26187E-02 ppm1 4.203 ppm2 4.533 CV 1 ASSI { 2418} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HN )) 2.600 0.800 0.800 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.29411E-02 ppm1 2.694 ppm2 8.454 CV 1 ASSI { 2421} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HN )) 2.600 0.800 0.800 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.28252E-02 ppm1 2.559 ppm2 8.451 CV 1 ASSI { 2423} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HN )) 2.700 0.900 0.900 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 1.063 ppm2 8.074 CV 1 ASSI { 2433} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 52 and name HN )) 2.900 2.900 3.100 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 1.867 ppm2 8.606 CV 1 OR { 2433} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 52 and name HN )) ASSI { 2443} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HE21)) 2.700 2.700 3.300 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.24304E-02 ppm1 2.249 ppm2 6.747 CV 1 ASSI { 2454} (( segid " " and resid 163 and name HD2 )) (( segid " " and resid 163 and name HN )) 3.000 1.100 1.100 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 3.130 ppm2 7.836 CV 1 ASSI { 2455} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 1.776 ppm2 7.940 CV 1 ASSI { 2457} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HE21)) 2.800 1.000 1.000 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.18690E-02 ppm1 2.182 ppm2 6.747 CV 1 ASSI { 2458} (( segid " " and resid 152 and name HB )) (( segid " " and resid 152 and name HN )) 2.900 1.000 1.000 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.16118E-02 ppm1 2.020 ppm2 9.056 CV 1 ASSI { 2462} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 2 and name HN )) 2.900 1.000 1.000 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 1.874 ppm2 8.214 CV 1 OR { 2462} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 2 and name HN )) ASSI { 2464} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 124 and name HN )) 2.600 0.800 0.800 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 1.762 ppm2 8.448 CV 1 ASSI { 2468} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.74253E-03 ppm1 0.555 ppm2 4.455 CV 1 ASSI { 2469} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 172 and name HA )) 3.100 1.200 1.200 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.10793E-02 ppm1 0.556 ppm2 3.754 CV 1 ASSI { 2506} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 77 and name HB )) 2.700 0.900 0.900 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.23761E-02 ppm1 0.564 ppm2 2.068 CV 1 ASSI { 2508} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 109 and name HB1 )) 3.200 3.200 2.800 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.81860E-03 ppm1 0.562 ppm2 1.684 CV 1 ASSI { 2514} ( segid " " and resid 77 and name HG1%) ( segid " " and resid 77 and name HG2%) 2.100 0.500 0.500 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.11508E-01 ppm1 0.562 ppm2 0.790 CV 1 ASSI { 2515} ( segid " " and resid 77 and name HG1%) ( segid " " and resid 75 and name HG2%) 3.200 1.300 1.300 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.75702E-03 ppm1 0.559 ppm2 -0.016 CV 1 ASSI { 2517} ( segid " " and resid 44 and name HG1%) ( segid " " and resid 23 and name HE% ) 2.900 1.100 1.100 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 0.762 ppm2 6.242 CV 1 ASSI { 2518} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 6 and name HA )) 2.700 2.700 3.300 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 0.763 ppm2 5.501 CV 1 ASSI { 2521} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 6 and name HB1 )) 2.600 2.600 3.400 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.27999E-02 ppm1 0.763 ppm2 2.258 CV 1 ASSI { 2522} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HB )) 1.900 0.500 0.500 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.17020E-01 ppm1 0.763 ppm2 1.908 CV 1 ASSI { 2523} ( segid " " and resid 77 and name HG2%) ( segid " " and resid 175 and name HB% ) 2.400 0.700 0.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.48427E-02 ppm1 0.765 ppm2 1.364 CV 1 ASSI { 2524} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 19 and name HD2%) 3.200 1.300 1.300 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 3.921 ppm2 0.699 CV 1 OR { 2524} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 19 and name HD2%) ASSI { 2525} ( segid " " and resid 44 and name HG1%) ( segid " " and resid 42 and name HB% ) 2.200 2.200 3.800 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.81787E-02 ppm1 0.763 ppm2 1.169 CV 1 ASSI { 2539} ( segid " " and resid 75 and name HG2%) ( segid " " and resid 108 and name HG2%) 3.000 1.100 1.100 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 -0.042 ppm2 1.276 CV 1 ASSI { 2543} ( segid " " and resid 75 and name HG2%) ( segid " " and resid 7 and name HG1%) 2.700 0.900 0.900 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.22023E-02 ppm1 -0.056 ppm2 0.647 CV 1 ASSI { 2550} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) 2.700 0.900 0.900 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 3.690 ppm2 2.177 CV 1 ASSI { 2554} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 74 and name HA )) 2.900 1.000 1.000 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 2.101 ppm2 3.718 CV 1 ASSI { 2575} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HE22)) 3.000 1.200 1.200 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 2.190 ppm2 7.466 CV 1 ASSI { 2652} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.200 1.300 1.300 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 4.275 ppm2 7.107 CV 1 ASSI { 2653} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) 3.000 1.100 1.100 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 3.835 ppm2 4.269 CV 1 ASSI { 2657} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 165 and name HD2%) 2.500 0.800 0.800 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.32671E-02 ppm1 3.918 ppm2 1.023 CV 1 ASSI { 2683} (( segid " " and resid 70 and name HG )) (( segid " " and resid 67 and name HA )) 3.100 3.100 2.900 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.698 ppm2 4.287 CV 1 ASSI { 2693} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HG )) 3.000 1.100 1.100 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 1.480 ppm2 1.730 CV 1 ASSI { 2696} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 70 and name HD2%) 2.900 1.100 1.100 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.14235E-02 ppm1 1.491 ppm2 0.865 CV 1 ASSI { 2703} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 70 and name HD2%) 3.000 1.100 1.100 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 1.808 ppm2 0.881 CV 1 ASSI { 2707} (( segid " " and resid 70 and name HG )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 1.689 ppm2 3.958 CV 1 ASSI { 2718} (( segid " " and resid 70 and name HG )) ( segid " " and resid 70 and name HD1%) 2.200 0.600 0.600 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.77441E-02 ppm1 1.695 ppm2 0.811 CV 1 ASSI { 2723} (( segid " " and resid 99 and name HG1 )) (( segid " " and resid 99 and name HD1 )) 3.200 1.200 1.200 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.88380E-03 ppm1 1.718 ppm2 3.576 CV 1 ASSI { 2744} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG2 )) 2.900 1.000 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 4.184 ppm2 2.278 CV 1 OR { 2744} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG1 )) ASSI { 2748} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.800 1.000 1.000 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 4.187 ppm2 1.996 CV 1 ASSI { 2751} (( segid " " and resid 62 and name HG2 )) ( segid " " and resid 61 and name HD2%) 2.700 0.900 0.900 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 2.255 ppm2 1.050 CV 1 OR { 2751} (( segid " " and resid 62 and name HG1 )) ( segid " " and resid 61 and name HD2%) ASSI { 2754} (( segid " " and resid 112 and name HG )) (( segid " " and resid 80 and name HN )) 3.200 1.300 1.300 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.78962E-03 ppm1 1.932 ppm2 8.528 CV 1 ASSI { 2756} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HA )) 2.500 0.800 0.800 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.34193E-02 ppm1 2.352 ppm2 4.337 CV 1 ASSI { 2758} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.100 1.200 1.200 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.10070E-02 ppm1 2.317 ppm2 4.471 CV 1 ASSI { 2778} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 64 and name HD% ) 2.700 2.700 3.300 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.23001E-02 ppm1 1.002 ppm2 7.038 CV 1 ASSI { 2780} (( segid " " and resid 154 and name HB1 )) ( segid " " and resid 112 and name HD1%) 2.800 0.900 0.900 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.20102E-02 ppm1 2.456 ppm2 0.752 CV 1 ASSI { 2784} (( segid " " and resid 55 and name HA )) ( segid " " and resid 55 and name HD2%) 2.900 1.000 1.000 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 5.209 ppm2 0.837 CV 1 ASSI { 2824} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 55 and name HD2%) 3.200 1.300 1.300 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 1.295 ppm2 0.849 CV 1 OR { 2824} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 55 and name HD2%) ASSI { 2916} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HN )) 3.000 1.100 1.100 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 4.066 ppm2 7.943 CV 1 ASSI { 2933} ( segid " " and resid 55 and name HD1%) ( segid " " and resid 169 and name HE% ) 3.200 1.300 1.300 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 0.575 ppm2 6.606 CV 1 ASSI { 2942} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 55 and name HB1 )) 2.800 0.900 0.900 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 0.576 ppm2 1.361 CV 1 ASSI { 2950} (( segid " " and resid 54 and name HA2 )) (( segid " " and resid 41 and name HA )) 3.300 1.300 1.300 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.74615E-03 ppm1 3.680 ppm2 5.456 CV 1 ASSI { 2995} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HN )) 3.000 1.100 1.100 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.888 ppm2 7.327 CV 1 ASSI { 2998} (( segid " " and resid 20 and name HA )) ( segid " " and resid 20 and name HD1%) 2.800 1.000 1.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.18545E-02 ppm1 3.718 ppm2 0.815 CV 1 OR { 2998} (( segid " " and resid 20 and name HA )) ( segid " " and resid 20 and name HD2%) ASSI { 3004} ( segid " " and resid 53 and name HD2%) ( segid " " and resid 169 and name HD% ) 2.900 1.000 1.000 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 0.905 ppm2 6.455 CV 1 ASSI { 3008} ( segid " " and resid 53 and name HD2%) ( segid " " and resid 23 and name HE% ) 2.900 1.000 1.000 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 0.897 ppm2 6.253 CV 1 ASSI { 3026} ( segid " " and resid 53 and name HD2%) (( segid " " and resid 169 and name HB2 )) 3.200 1.300 1.300 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.83308E-03 ppm1 0.894 ppm2 2.596 CV 1 ASSI { 3044} ( segid " " and resid 53 and name HD2%) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.20356E-02 ppm1 0.895 ppm2 2.076 CV 1 ASSI { 3045} ( segid " " and resid 53 and name HD2%) (( segid " " and resid 53 and name HG )) 2.600 0.800 0.800 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.29919E-02 ppm1 0.892 ppm2 1.387 CV 1 ASSI { 3046} ( segid " " and resid 53 and name HD2%) (( segid " " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.40170E-02 ppm1 0.893 ppm2 1.151 CV 1 ASSI { 3049} (( segid " " and resid 3 and name HA )) ( segid " " and resid 51 and name HG2%) 2.800 2.800 3.200 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 5.149 ppm2 0.796 CV 1 ASSI { 3062} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 3 and name HA )) 2.900 1.100 1.100 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 2.673 ppm2 5.172 CV 1 ASSI { 3067} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 3 and name HA )) 3.000 1.100 1.100 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 2.618 ppm2 5.173 CV 1 ASSI { 3083} (( segid " " and resid 49 and name HD2 )) (( segid " " and resid 49 and name HA )) 2.900 2.900 3.100 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 1.615 ppm2 4.819 CV 1 ASSI { 3084} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.35279E-02 ppm1 2.608 ppm2 2.814 CV 1 ASSI { 3095} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 3 and name HB% ) 3.000 1.100 1.100 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 2.615 ppm2 1.375 CV 1 ASSI { 3106} (( segid " " and resid 166 and name HE2 )) (( segid " " and resid 166 and name HA )) 2.800 1.000 1.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 3.058 ppm2 4.054 CV 1 OR { 3106} (( segid " " and resid 166 and name HE1 )) (( segid " " and resid 166 and name HA )) ASSI { 3146} (( segid " " and resid 51 and name HA )) (( segid " " and resid 2 and name HB1 )) 2.800 1.000 1.000 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.17604E-02 ppm1 4.513 ppm2 1.888 CV 1 ASSI { 3150} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 51 and name HA )) 2.800 2.800 3.200 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.20248E-02 ppm1 1.874 ppm2 4.494 CV 1 ASSI { 3159} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HA )) 2.500 0.800 0.800 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.35678E-02 ppm1 1.872 ppm2 4.426 CV 1 ASSI { 3166} (( segid " " and resid 44 and name HB )) ( segid " " and resid 44 and name HG2%) 1.800 0.400 0.400 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.24627E-01 ppm1 1.875 ppm2 0.804 CV 1 ASSI { 3167} (( segid " " and resid 51 and name HB )) (( segid " " and resid 2 and name HG2 )) 2.900 2.900 3.100 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 1.959 ppm2 2.283 CV 1 ASSI { 3169} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.33721E-02 ppm1 0.749 ppm2 8.604 CV 1 ASSI { 3171} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 3 and name HA )) 2.800 1.000 1.000 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.17277E-02 ppm1 0.753 ppm2 5.156 CV 1 ASSI { 3177} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 51 and name HA )) 2.500 0.800 0.800 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.38032E-02 ppm1 0.750 ppm2 4.501 CV 1 ASSI { 3178} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HB2 )) 2.800 2.800 3.200 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 0.755 ppm2 2.674 CV 1 ASSI { 3180} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 2 and name HG2 )) 2.600 0.900 0.900 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.25898E-02 ppm1 0.753 ppm2 2.244 CV 1 ASSI { 3182} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 4 and name HB )) 2.600 2.600 3.400 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.28216E-02 ppm1 0.746 ppm2 1.587 CV 1 ASSI { 3202} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 4 and name HG12)) 2.400 0.700 0.700 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 0.754 ppm2 1.404 CV 1 ASSI { 3224} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 177 and name HG )) 2.100 0.600 0.600 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.93556E-02 ppm1 0.663 ppm2 1.643 CV 1 ASSI { 3230} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HE2 )) 3.100 1.200 1.200 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 1.810 ppm2 2.973 CV 1 OR { 3230} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HE1 )) ASSI { 3233} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 127 and name HG2 )) 2.700 0.900 0.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 1.333 ppm2 2.356 CV 1 ASSI { 3240} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 48 and name HA2 )) 2.700 0.900 0.900 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 3.492 ppm2 4.025 CV 1 ASSI { 3368} (( segid " " and resid 48 and name HA1 )) ( segid " " and resid 45 and name HE% ) 3.100 1.200 1.200 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 3.490 ppm2 1.761 CV 1 ASSI { 5016} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 33 and name HG12)) 3.000 1.100 1.100 peak 5016 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 2.034 ppm2 1.257 CV 1 OR { 5016} (( segid " " and resid 31 and name HG1 )) (( segid " " and resid 33 and name HG12)) ASSI { 5030} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 33 and name HG2%) 2.600 2.600 3.400 peak 5030 spectrum 1 weight 0.10000E+01 volume 0.29194E-02 ppm1 2.033 ppm2 0.787 CV 1 OR { 5030} (( segid " " and resid 31 and name HG1 )) ( segid " " and resid 33 and name HG2%) ASSI { 5375} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 79 and name HA )) 2.800 2.800 3.200 peak 5375 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 0.759 ppm2 5.134 CV 1 ASSI { 5760} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.900 1.000 1.000 peak 5760 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 4.131 ppm2 2.821 CV 1 ASSI { 5769} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 3.000 1.100 1.100 peak 5769 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 4.136 ppm2 2.637 CV 1 ASSI { 5777} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG2%) 2.300 0.700 0.700 peak 5777 spectrum 1 weight 0.10000E+01 volume 0.60598E-02 ppm1 4.093 ppm2 0.826 CV 1 ASSI { 5778} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.600 0.900 0.900 peak 5778 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 4.090 ppm2 1.771 CV 1 ASSI { 5783} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 174 and name HN )) 3.000 1.100 1.100 peak 5783 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 0.714 ppm2 8.435 CV 1 ASSI { 5785} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 5785 spectrum 1 weight 0.10000E+01 volume 0.47123E-02 ppm1 0.711 ppm2 4.115 CV 1 ASSI { 5789} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HB2 )) 2.900 1.100 1.100 peak 5789 spectrum 1 weight 0.10000E+01 volume 0.14126E-02 ppm1 0.710 ppm2 2.857 CV 1 ASSI { 5790} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 5790 spectrum 1 weight 0.10000E+01 volume 0.21371E-02 ppm1 0.713 ppm2 2.632 CV 1 ASSI { 5791} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.900 1.100 1.100 peak 5791 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 1.714 ppm2 8.422 CV 1 ASSI { 5796} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 170 and name HA )) 3.100 1.200 1.200 peak 5796 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 0.814 ppm2 4.290 CV 1 ASSI { 5804} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HA )) 2.900 1.100 1.100 peak 5804 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 1.755 ppm2 3.764 CV 1 ASSI { 5808} (( segid " " and resid 1 and name HG1 )) (( segid " " and resid 43 and name HD22)) 3.000 3.000 3.000 peak 5808 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 2.285 ppm2 7.157 CV 1 ASSI { 5815} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 5815 spectrum 1 weight 0.10000E+01 volume 0.17313E-02 ppm1 2.231 ppm2 5.087 CV 1 ASSI { 5817} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 5817 spectrum 1 weight 0.10000E+01 volume 0.36620E-02 ppm1 1.748 ppm2 7.954 CV 1 ASSI { 5819} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 43 and name HD22)) 2.500 2.500 3.500 peak 5819 spectrum 1 weight 0.10000E+01 volume 0.32310E-02 ppm1 1.748 ppm2 7.158 CV 1 ASSI { 5824} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 5824 spectrum 1 weight 0.10000E+01 volume 0.73492E-02 ppm1 1.749 ppm2 4.823 CV 1 ASSI { 5834} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 1140 and name HA )) 3.100 1.200 1.200 peak 5834 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 0.627 ppm2 4.170 CV 1 ASSI { 5843} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HA )) 2.500 2.500 3.500 peak 5843 spectrum 1 weight 0.10000E+01 volume 0.32490E-02 ppm1 1.882 ppm2 3.815 CV 1 ASSI { 5844} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HG2 )) 2.100 0.500 0.500 peak 5844 spectrum 1 weight 0.10000E+01 volume 0.10548E-01 ppm1 1.879 ppm2 2.134 CV 1 ASSI { 5856} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 2.600 0.900 0.900 peak 5856 spectrum 1 weight 0.10000E+01 volume 0.26622E-02 ppm1 2.478 ppm2 2.267 CV 1 ASSI { 5857} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 5857 spectrum 1 weight 0.10000E+01 volume 0.99246E-03 ppm1 2.487 ppm2 5.498 CV 1 ASSI { 5859} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HD22)) 3.100 1.200 1.200 peak 5859 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 2.479 ppm2 7.173 CV 1 ASSI { 5860} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 42 and name HA )) 2.400 0.700 0.700 peak 5860 spectrum 1 weight 0.10000E+01 volume 0.49912E-02 ppm1 1.138 ppm2 4.487 CV 1 ASSI { 5865} ( segid " " and resid 42 and name HB% ) ( segid " " and resid 23 and name HE% ) 2.900 1.000 1.000 peak 5865 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 1.140 ppm2 6.248 CV 1 ASSI { 5872} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 5872 spectrum 1 weight 0.10000E+01 volume 0.21371E-02 ppm1 3.665 ppm2 5.450 CV 1 ASSI { 5875} (( segid " " and resid 41 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.100 1.200 1.200 peak 5875 spectrum 1 weight 0.10000E+01 volume 0.96349E-03 ppm1 5.435 ppm2 1.153 CV 1 ASSI { 5876} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.800 0.900 0.900 peak 5876 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 3.571 ppm2 5.463 CV 1 ASSI { 5887} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 27 and name HA )) 1.900 0.500 0.500 peak 5887 spectrum 1 weight 0.10000E+01 volume 0.17610E-01 ppm1 1.063 ppm2 4.447 CV 1 ASSI { 5890} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 27 and name HB% ) 3.000 1.100 1.100 peak 5890 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 3.045 ppm2 1.074 CV 1 ASSI { 5892} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 130 and name HE2 )) 2.900 1.100 1.100 peak 5892 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 1.095 ppm2 2.902 CV 1 OR { 5892} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 130 and name HE1 )) ASSI { 5897} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.400 0.700 0.700 peak 5897 spectrum 1 weight 0.10000E+01 volume 0.41147E-02 ppm1 3.052 ppm2 4.466 CV 1 ASSI { 5911} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 29 and name HD1 )) 3.300 1.300 1.300 peak 5911 spectrum 1 weight 0.10000E+01 volume 0.73166E-03 ppm1 1.140 ppm2 3.206 CV 1 OR { 5911} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 29 and name HD2 )) ASSI { 5912} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 3.000 1.100 1.100 peak 5912 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 4.117 ppm2 2.947 CV 1 ASSI { 5932} ( segid " " and resid 23 and name HD% ) ( segid " " and resid 55 and name HD2%) 3.200 1.300 1.300 peak 5932 spectrum 1 weight 0.10000E+01 volume 0.76426E-03 ppm1 6.232 ppm2 0.806 CV 1 ASSI { 5936} (( segid " " and resid 22 and name HA )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 5936 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 4.198 ppm2 7.595 CV 1 ASSI { 5940} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB )) 2.400 0.700 0.700 peak 5940 spectrum 1 weight 0.10000E+01 volume 0.46943E-02 ppm1 0.636 ppm2 1.578 CV 1 ASSI { 5946} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 5946 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 0.636 ppm2 1.833 CV 1 OR { 5946} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 31 and name HB1 )) ASSI { 5947} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG12)) 2.200 0.600 0.600 peak 5947 spectrum 1 weight 0.10000E+01 volume 0.87257E-02 ppm1 0.637 ppm2 1.284 CV 1 ASSI { 5958} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 3.200 1.300 1.300 peak 5958 spectrum 1 weight 0.10000E+01 volume 0.77513E-03 ppm1 2.161 ppm2 3.874 CV 1 ASSI { 5961} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 2 and name HG2 )) 2.900 1.100 1.100 peak 5961 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 0.664 ppm2 2.260 CV 1 ASSI { 5964} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 176 and name HB )) 2.900 1.100 1.100 peak 5964 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 0.666 ppm2 2.106 CV 1 ASSI { 5966} (( segid " " and resid 19 and name HG )) (( segid " " and resid 169 and name HZ )) 3.100 3.100 2.900 peak 5966 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 1.712 ppm2 6.484 CV 1 ASSI { 5967} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 169 and name HE% ) 2.600 0.800 0.800 peak 5967 spectrum 1 weight 0.10000E+01 volume 0.30172E-02 ppm1 0.627 ppm2 6.566 CV 1 ASSI { 5970} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 5970 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.631 ppm2 3.869 CV 1 ASSI { 5975} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 165 and name HD2%) 2.400 0.700 0.700 peak 5975 spectrum 1 weight 0.10000E+01 volume 0.52086E-02 ppm1 0.630 ppm2 1.055 CV 1 ASSI { 5977} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 168 and name HG1%) 2.600 0.900 0.900 peak 5977 spectrum 1 weight 0.10000E+01 volume 0.26369E-02 ppm1 0.631 ppm2 -0.271 CV 1 ASSI { 5979} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 113 and name HG2%) 2.700 0.900 0.900 peak 5979 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 0.629 ppm2 0.458 CV 1 ASSI { 5980} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HG2%) 3.200 1.300 1.300 peak 5980 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 3.840 ppm2 1.114 CV 1 ASSI { 5989} (( segid " " and resid 9 and name HB )) ( segid " " and resid 9 and name HG2%) 3.200 1.300 1.300 peak 5989 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 1.809 ppm2 1.053 CV 1 ASSI { 5996} ( segid " " and resid 9 and name HG1%) ( segid " " and resid 9 and name HG2%) 2.400 0.700 0.700 peak 5996 spectrum 1 weight 0.10000E+01 volume 0.46471E-02 ppm1 0.647 ppm2 1.094 CV 1 ASSI { 6006} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 79 and name HN )) 3.200 1.300 1.300 peak 6006 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 0.834 ppm2 8.830 CV 1 ASSI { 6009} (( segid " " and resid 7 and name HB )) ( segid " " and resid 75 and name HG2%) 3.300 1.300 1.300 peak 6009 spectrum 1 weight 0.10000E+01 volume 0.73529E-03 ppm1 1.409 ppm2 -0.040 CV 1 ASSI { 6012} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 176 and name HA )) 3.000 3.000 3.000 peak 6012 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 0.739 ppm2 3.746 CV 1 ASSI { 6014} ( segid " " and resid 7 and name HG1%) ( segid " " and resid 7 and name HG2%) 2.500 0.800 0.800 peak 6014 spectrum 1 weight 0.10000E+01 volume 0.34772E-02 ppm1 0.637 ppm2 1.036 CV 1 ASSI { 6018} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HD21)) 2.900 1.100 1.100 peak 6018 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 3.053 ppm2 6.726 CV 1 ASSI { 6020} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 163 and name HN )) 2.800 2.800 3.200 peak 6020 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 3.054 ppm2 7.840 CV 1 ASSI { 6021} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 139 and name HN )) 2.700 0.900 0.900 peak 6021 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 1.165 ppm2 9.077 CV 1 ASSI { 6022} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 169 and name HZ )) 3.000 1.100 1.100 peak 6022 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 0.219 ppm2 6.498 CV 1 ASSI { 6026} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 178 and name HA )) 2.200 0.600 0.600 peak 6026 spectrum 1 weight 0.10000E+01 volume 0.69725E-02 ppm1 2.881 ppm2 4.707 CV 1 ASSI { 6027} (( segid " " and resid 178 and name HB1 )) (( segid " " and resid 178 and name HA )) 2.300 0.700 0.700 peak 6027 spectrum 1 weight 0.10000E+01 volume 0.62228E-02 ppm1 2.765 ppm2 4.711 CV 1 ASSI { 6029} ( segid " " and resid 149 and name HD1%) ( segid " " and resid 149 and name HG2%) 2.400 0.700 0.700 peak 6029 spectrum 1 weight 0.10000E+01 volume 0.47051E-02 ppm1 0.494 ppm2 0.229 CV 1 ASSI { 6030} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.000 peak 6030 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 0.500 ppm2 3.584 CV 1 ASSI { 6031} ( segid " " and resid 42 and name HB% ) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 6031 spectrum 1 weight 0.10000E+01 volume 0.18979E-02 ppm1 1.136 ppm2 8.791 CV 1 ASSI { 6032} (( segid " " and resid 167 and name HB )) ( segid " " and resid 167 and name HG2%) 2.500 0.800 0.800 peak 6032 spectrum 1 weight 0.10000E+01 volume 0.36004E-02 ppm1 3.823 ppm2 1.247 CV 1 ASSI { 6034} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 165 and name HN )) 3.100 1.200 1.200 peak 6034 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 0.984 ppm2 7.446 CV 1 ASSI { 6038} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 172 and name HN )) 2.700 0.900 0.900 peak 6038 spectrum 1 weight 0.10000E+01 volume 0.22928E-02 ppm1 0.469 ppm2 7.950 CV 1 ASSI { 6039} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 112 and name HN )) 2.700 0.900 0.900 peak 6039 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 0.467 ppm2 8.293 CV 1 ASSI { 6045} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 145 and name HN )) 2.800 2.800 3.200 peak 6045 spectrum 1 weight 0.10000E+01 volume 0.18292E-02 ppm1 0.760 ppm2 7.740 CV 1 ASSI { 6046} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HN )) 2.800 1.000 1.000 peak 6046 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 0.759 ppm2 6.358 CV 1 ASSI { 6047} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 90 and name HZ )) 2.900 1.000 1.000 peak 6047 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 0.762 ppm2 6.919 CV 1 ASSI { 6048} ( segid " " and resid 145 and name HE% ) ( segid " " and resid 90 and name HE% ) 2.900 1.100 1.100 peak 6048 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 0.759 ppm2 6.693 CV 1 ASSI { 6053} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 112 and name HN )) 3.000 1.200 1.200 peak 6053 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 1.190 ppm2 8.319 CV 1 ASSI { 6057} ( segid " " and resid 155 and name HD1%) ( segid " " and resid 168 and name HG1%) 2.800 1.000 1.000 peak 6057 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 0.578 ppm2 -0.270 CV 1 ASSI { 6059} ( segid " " and resid 80 and name HD1%) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 6059 spectrum 1 weight 0.10000E+01 volume 0.17459E-02 ppm1 0.765 ppm2 4.424 CV 1 ASSI { 6060} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 173 and name HN )) 2.800 1.000 1.000 peak 6060 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 0.818 ppm2 7.606 CV 1 ASSI { 6063} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HN )) 3.200 1.200 1.200 peak 6063 spectrum 1 weight 0.10000E+01 volume 0.89466E-03 ppm1 4.091 ppm2 8.416 CV 1 ASSI { 6064} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HN )) 3.000 3.000 3.000 peak 6064 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 0.480 ppm2 8.288 CV 1 ASSI { 6068} (( segid " " and resid 166 and name HE2 )) (( segid " " and resid 166 and name HN )) 3.100 1.200 1.200 peak 6068 spectrum 1 weight 0.10000E+01 volume 0.97793E-03 ppm1 3.066 ppm2 8.551 CV 1 OR { 6068} (( segid " " and resid 166 and name HE1 )) (( segid " " and resid 166 and name HN )) ASSI { 6071} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 172 and name HA )) 2.300 0.600 0.600 peak 6071 spectrum 1 weight 0.10000E+01 volume 0.63097E-02 ppm1 0.467 ppm2 3.744 CV 1 ASSI { 6073} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 6073 spectrum 1 weight 0.10000E+01 volume 0.49514E-02 ppm1 0.762 ppm2 8.942 CV 1 ASSI { 6074} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 169 and name HE% ) 3.100 1.200 1.200 peak 6074 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 0.215 ppm2 6.580 CV 1 ASSI { 6075} ( segid " " and resid 79 and name HD1%) (( segid " " and resid 79 and name HN )) 3.100 1.200 1.200 peak 6075 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 0.220 ppm2 8.841 CV 1 ASSI { 6078} ( segid " " and resid 79 and name HD1%) ( segid " " and resid 168 and name HG1%) 2.400 0.700 0.700 peak 6078 spectrum 1 weight 0.10000E+01 volume 0.47160E-02 ppm1 0.221 ppm2 -0.263 CV 1 ASSI { 6079} (( segid " " and resid 192 and name HB2 )) (( segid " " and resid 192 and name HN )) 3.100 1.200 1.200 peak 6079 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 1.474 ppm2 7.636 CV 1 OR { 6079} (( segid " " and resid 192 and name HB1 )) (( segid " " and resid 192 and name HN )) ASSI { 6081} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name HN )) 2.900 1.100 1.100 peak 6081 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 2.174 ppm2 7.242 CV 1 ASSI { 6083} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 132 and name HN )) 3.000 1.100 1.100 peak 6083 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 2.115 ppm2 7.239 CV 1 ASSI { 6084} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HE22)) 3.000 1.200 1.200 peak 6084 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 1.991 ppm2 7.515 CV 1 ASSI { 6085} (( segid " " and resid 166 and name HE1 )) ( segid " " and resid 23 and name HE% ) 3.000 1.100 1.100 peak 6085 spectrum 1 weight 0.10000E+01 volume 0.12170E-02 ppm1 3.056 ppm2 6.266 CV 1 OR { 6085} (( segid " " and resid 166 and name HE2 )) ( segid " " and resid 23 and name HE% ) ASSI { 6087} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 6087 spectrum 1 weight 0.10000E+01 volume 0.32381E-02 ppm1 2.260 ppm2 9.006 CV 1 ASSI { 6088} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 156 and name HN )) 3.100 1.200 1.200 peak 6088 spectrum 1 weight 0.10000E+01 volume 0.97076E-03 ppm1 0.574 ppm2 7.947 CV 1 ASSI { 6089} (( segid " " and resid 51 and name HB )) (( segid " " and resid 51 and name HN )) 3.000 1.100 1.100 peak 6089 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 1.945 ppm2 9.079 CV 1 ASSI { 6091} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 6091 spectrum 1 weight 0.10000E+01 volume 0.77513E-03 ppm1 1.172 ppm2 8.256 CV 1 ASSI { 6092} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 82 and name HN )) 2.900 1.100 1.100 peak 6092 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 0.588 ppm2 8.876 CV 1 ASSI { 6095} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HD1 )) 3.000 1.100 1.100 peak 6095 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.641 ppm2 3.460 CV 1 ASSI { 6101} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 6101 spectrum 1 weight 0.10000E+01 volume 0.28397E-02 ppm1 0.999 ppm2 3.605 CV 1 ASSI { 6102} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG1 )) 3.100 1.200 1.200 peak 6102 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 3.569 ppm2 4.227 CV 1 ASSI { 6106} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 115 and name HA )) 3.100 1.200 1.200 peak 6106 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 0.588 ppm2 5.181 CV 1 ASSI { 6107} (( segid " " and resid 138 and name HA )) ( segid " " and resid 138 and name HG2%) 2.800 0.900 0.900 peak 6107 spectrum 1 weight 0.10000E+01 volume 0.20102E-02 ppm1 4.297 ppm2 1.181 CV 1 ASSI { 6108} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HG1 )) 3.100 1.200 1.200 peak 6108 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 1.163 ppm2 5.346 CV 1 ASSI { 6110} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HA )) 2.900 1.000 1.000 peak 6110 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 3.930 ppm2 5.134 CV 1 OR { 6110} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HA )) ASSI { 6116} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HN )) 2.500 0.800 0.800 peak 6116 spectrum 1 weight 0.10000E+01 volume 0.39409E-02 ppm1 0.796 ppm2 9.103 CV 1 ASSI { 6117} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 6117 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 4.220 ppm2 -0.261 CV 1 ASSI { 6120} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG2 )) 3.100 1.200 1.200 peak 6120 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 4.218 ppm2 0.524 CV 1 ASSI { 6121} (( segid " " and resid 96 and name HG2 )) (( segid " " and resid 96 and name HG1 )) 2.900 1.100 1.100 peak 6121 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 0.489 ppm2 -0.256 CV 1 ASSI { 6122} (( segid " " and resid 96 and name HD1 )) (( segid " " and resid 96 and name HG1 )) 3.100 1.200 1.200 peak 6122 spectrum 1 weight 0.10000E+01 volume 0.95623E-03 ppm1 0.612 ppm2 -0.261 CV 1 ASSI { 6123} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name HN )) 2.000 0.500 0.500 peak 6123 spectrum 1 weight 0.10000E+01 volume 0.14075E-01 ppm1 4.374 ppm2 8.122 CV 1 ASSI { 6124} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 182 and name HN )) 2.700 0.900 0.900 peak 6124 spectrum 1 weight 0.10000E+01 volume 0.23833E-02 ppm1 1.789 ppm2 8.120 CV 1 ASSI { 6125} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HN )) 2.300 0.700 0.700 peak 6125 spectrum 1 weight 0.10000E+01 volume 0.56904E-02 ppm1 1.948 ppm2 8.123 CV 1 ASSI { 6126} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 33 and name HA )) 3.000 1.200 1.200 peak 6126 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 3.484 ppm2 4.127 CV 1 ASSI { 6129} (( segid " " and resid 179 and name HD1 )) (( segid " " and resid 178 and name HB1 )) 2.900 2.900 3.100 peak 6129 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 3.483 ppm2 2.788 CV 1 ASSI { 6134} (( segid " " and resid 178 and name HB2 )) (( segid " " and resid 179 and name HD1 )) 2.600 0.900 0.900 peak 6134 spectrum 1 weight 0.10000E+01 volume 0.27238E-02 ppm1 2.881 ppm2 3.488 CV 1 ASSI { 6140} (( segid " " and resid 109 and name HD1 )) (( segid " " and resid 109 and name HD2 )) 3.100 3.100 2.900 peak 6140 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 3.838 ppm2 4.195 CV 1 ASSI { 6143} ( segid " " and resid 182 and name HG1%) (( segid " " and resid 182 and name HN )) 2.800 1.000 1.000 peak 6143 spectrum 1 weight 0.10000E+01 volume 0.19378E-02 ppm1 0.848 ppm2 8.123 CV 1 ASSI { 6144} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HN )) 3.000 1.100 1.100 peak 6144 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 4.242 ppm2 8.320 CV 1 ASSI { 6146} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 153 and name HE2 )) 3.100 1.200 1.200 peak 6146 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 0.471 ppm2 2.854 CV 1 ASSI { 6148} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 152 and name HB )) 2.300 0.700 0.700 peak 6148 spectrum 1 weight 0.10000E+01 volume 0.54839E-02 ppm1 0.465 ppm2 2.033 CV 1 ASSI { 6149} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 79 and name HD2%) 2.200 2.200 3.800 peak 6149 spectrum 1 weight 0.10000E+01 volume 0.68639E-02 ppm1 0.467 ppm2 0.295 CV 1 ASSI { 6150} ( segid " " and resid 111 and name HD1%) ( segid " " and resid 168 and name HG1%) 3.000 3.000 3.000 peak 6150 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 0.462 ppm2 -0.268 CV 1 ASSI { 6152} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 168 and name HG1%) 2.700 2.700 3.300 peak 6152 spectrum 1 weight 0.10000E+01 volume 0.25210E-02 ppm1 0.706 ppm2 -0.261 CV 1 ASSI { 6156} ( segid " " and resid 111 and name HD1%) (( segid " " and resid 175 and name HA )) 2.700 0.900 0.900 peak 6156 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 0.465 ppm2 4.005 CV 1 ASSI { 6158} ( segid " " and resid 149 and name HG2%) ( segid " " and resid 98 and name HD% ) 2.900 1.000 1.000 peak 6158 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.221 ppm2 6.894 CV 1 ASSI { 6159} ( segid " " and resid 79 and name HD2%) (( segid " " and resid 172 and name HA )) 3.100 1.200 1.200 peak 6159 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 0.280 ppm2 3.712 CV 1 ASSI { 6160} ( segid " " and resid 79 and name HD2%) (( segid " " and resid 111 and name HB )) 2.600 0.900 0.900 peak 6160 spectrum 1 weight 0.10000E+01 volume 0.27854E-02 ppm1 0.277 ppm2 1.786 CV 1 ASSI { 6161} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 79 and name HD2%) 2.400 0.700 0.700 peak 6161 spectrum 1 weight 0.10000E+01 volume 0.45385E-02 ppm1 -0.282 ppm2 0.269 CV 1 ASSI { 6162} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 168 and name HN )) 3.000 1.100 1.100 peak 6162 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 -0.281 ppm2 7.061 CV 1 ASSI { 6164} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 165 and name HA )) 3.200 1.300 1.300 peak 6164 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 -0.283 ppm2 3.705 CV 1 ASSI { 6165} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 2.600 0.800 0.800 peak 6165 spectrum 1 weight 0.10000E+01 volume 0.29375E-02 ppm1 0.637 ppm2 4.177 CV 1 ASSI { 6167} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 81 and name HN )) 3.100 1.200 1.200 peak 6167 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 0.807 ppm2 8.855 CV 1 ASSI { 6168} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HN )) 2.400 0.700 0.700 peak 6168 spectrum 1 weight 0.10000E+01 volume 0.46327E-02 ppm1 0.737 ppm2 8.453 CV 1 ASSI { 6169} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 117 and name HN )) 3.000 3.000 3.000 peak 6169 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 0.515 ppm2 8.299 CV 1 ASSI { 6170} (( segid " " and resid 172 and name HA )) ( segid " " and resid 77 and name HG2%) 3.000 1.100 1.100 peak 6170 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 3.731 ppm2 0.783 CV 1 ASSI { 6171} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 168 and name HA )) 2.800 1.000 1.000 peak 6171 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 0.585 ppm2 3.056 CV 1 ASSI { 6172} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HN )) 2.900 2.900 3.100 peak 6172 spectrum 1 weight 0.10000E+01 volume 0.14669E-02 ppm1 0.582 ppm2 8.299 CV 1 ASSI { 6173} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 110 and name HN )) 2.800 1.000 1.000 peak 6173 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 0.837 ppm2 8.556 CV 1 ASSI { 6174} ( segid " " and resid 110 and name HD1%) (( segid " " and resid 152 and name HN )) 3.000 3.000 3.000 peak 6174 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 0.834 ppm2 9.047 CV 1 ASSI { 6176} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 158 and name HA )) 3.000 3.000 3.000 peak 6176 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 0.980 ppm2 5.139 CV 1 ASSI { 6179} (( segid " " and resid 56 and name HZ2 )) (( segid " " and resid 56 and name HH2 )) 3.000 1.100 1.100 peak 6179 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 7.334 ppm2 7.015 CV 1 ASSI { 6191} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 6191 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 0.739 ppm2 2.682 CV 1 OR { 6191} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 76 and name HB1 )) ASSI { 6194} (( segid " " and resid 4 and name HG11)) (( segid " " and resid 4 and name HG12)) 2.700 0.900 0.900 peak 6194 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 1.017 ppm2 1.438 CV 1 ASSI { 6198} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 176 and name HN )) 3.100 1.200 1.200 peak 6198 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 0.738 ppm2 7.212 CV 1 ASSI { 6201} (( segid " " and resid 4 and name HG12)) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 6201 spectrum 1 weight 0.10000E+01 volume 0.77875E-03 ppm1 1.441 ppm2 4.419 CV 1 ASSI { 6208} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HG1 )) 2.500 0.800 0.800 peak 6208 spectrum 1 weight 0.10000E+01 volume 0.36221E-02 ppm1 0.692 ppm2 4.235 CV 1 ASSI { 6210} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 29 and name HD2 )) 2.900 1.100 1.100 peak 6210 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 0.685 ppm2 3.242 CV 1 OR { 6210} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 29 and name HD1 )) ASSI { 6212} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 76 and name HB2 )) 3.100 1.200 1.200 peak 6212 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 0.668 ppm2 2.665 CV 1 ASSI { 6216} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 4 and name HG12)) 2.500 0.800 0.800 peak 6216 spectrum 1 weight 0.10000E+01 volume 0.40170E-02 ppm1 0.668 ppm2 1.423 CV 1 ASSI { 6218} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 21 and name HD1%) 2.400 0.700 0.700 peak 6218 spectrum 1 weight 0.10000E+01 volume 0.50275E-02 ppm1 0.699 ppm2 0.507 CV 1 ASSI { 6220} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 6220 spectrum 1 weight 0.10000E+01 volume 0.16843E-02 ppm1 0.738 ppm2 4.420 CV 1 ASSI { 6222} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 173 and name HA )) 2.900 1.000 1.000 peak 6222 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 0.736 ppm2 3.412 CV 1 ASSI { 6223} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 176 and name HB )) 2.600 0.900 0.900 peak 6223 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 0.738 ppm2 2.134 CV 1 ASSI { 6225} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG12)) 2.300 0.700 0.700 peak 6225 spectrum 1 weight 0.10000E+01 volume 0.62011E-02 ppm1 0.735 ppm2 1.447 CV 1 ASSI { 6232} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 52 and name HD22)) 3.000 1.200 1.200 peak 6232 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 1.371 ppm2 7.357 CV 1 ASSI { 6238} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HA )) 2.600 0.800 0.800 peak 6238 spectrum 1 weight 0.10000E+01 volume 0.28071E-02 ppm1 1.989 ppm2 4.331 CV 1 ASSI { 6241} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HB1 )) 2.600 0.900 0.900 peak 6241 spectrum 1 weight 0.10000E+01 volume 0.26659E-02 ppm1 1.984 ppm2 1.569 CV 1 ASSI { 6243} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HA )) 2.400 0.700 0.700 peak 6243 spectrum 1 weight 0.10000E+01 volume 0.47884E-02 ppm1 2.186 ppm2 4.296 CV 1 ASSI { 6245} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 4 and name HG12)) 2.600 0.900 0.900 peak 6245 spectrum 1 weight 0.10000E+01 volume 0.26622E-02 ppm1 2.183 ppm2 1.407 CV 1 ASSI { 6248} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 6248 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.863 ppm2 2.677 CV 1 ASSI { 6249} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 4 and name HG11)) 3.000 1.100 1.100 peak 6249 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 2.191 ppm2 1.039 CV 1 ASSI { 6251} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HA )) 2.400 2.400 3.600 peak 6251 spectrum 1 weight 0.10000E+01 volume 0.43030E-02 ppm1 2.250 ppm2 4.313 CV 1 ASSI { 6252} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HB1 )) 2.200 0.600 0.600 peak 6252 spectrum 1 weight 0.10000E+01 volume 0.82583E-02 ppm1 2.245 ppm2 1.940 CV 1 ASSI { 6253} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HB2 )) 2.200 0.600 0.600 peak 6253 spectrum 1 weight 0.10000E+01 volume 0.82583E-02 ppm1 2.249 ppm2 1.973 CV 1 ASSI { 6255} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 1 and name HG2 )) 2.100 0.600 0.600 peak 6255 spectrum 1 weight 0.10000E+01 volume 0.95586E-02 ppm1 1.871 ppm2 2.355 CV 1 OR { 6255} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG2 )) ASSI { 6256} (( segid " " and resid 1 and name HB1 )) ( segid " " and resid 3 and name HB% ) 2.800 1.000 1.000 peak 6256 spectrum 1 weight 0.10000E+01 volume 0.18582E-02 ppm1 1.865 ppm2 1.383 CV 1 ASSI { 6265} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 44 and name HN )) 3.200 1.300 1.300 peak 6265 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 1.871 ppm2 8.961 CV 1 ASSI { 6266} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 6266 spectrum 1 weight 0.10000E+01 volume 0.25065E-02 ppm1 1.873 ppm2 8.595 CV 1 ASSI { 6267} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 2 and name HN )) 3.200 3.200 2.800 peak 6267 spectrum 1 weight 0.10000E+01 volume 0.89828E-03 ppm1 1.877 ppm2 8.191 CV 1 ASSI { 6271} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 43 and name HD22)) 2.300 0.700 0.700 peak 6271 spectrum 1 weight 0.10000E+01 volume 0.56541E-02 ppm1 1.873 ppm2 7.153 CV 1 ASSI { 6276} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HN )) 3.100 1.200 1.200 peak 6276 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 2.208 ppm2 7.172 CV 1 OR { 6276} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HN )) ASSI { 6277} ( segid " " and resid 169 and name HD% ) (( segid " " and resid 169 and name HA )) 3.200 1.300 1.300 peak 6277 spectrum 1 weight 0.10000E+01 volume 0.76788E-03 ppm1 6.416 ppm2 3.695 CV 1 ASSI { 6279} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 169 and name HE% ) 2.800 1.000 1.000 peak 6279 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 6.422 ppm2 6.617 CV 1 ASSI { 6286} (( segid " " and resid 130 and name HA )) (( segid " " and resid 133 and name HN )) 2.900 1.000 1.000 peak 6286 spectrum 1 weight 0.10000E+01 volume 0.15937E-02 ppm1 4.097 ppm2 8.071 CV 1 ASSI { 6287} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 6287 spectrum 1 weight 0.10000E+01 volume 0.16987E-02 ppm1 4.099 ppm2 8.336 CV 1 ASSI { 6289} (( segid " " and resid 174 and name HG1 )) (( segid " " and resid 175 and name HN )) 2.800 1.000 1.000 peak 6289 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 1.466 ppm2 7.767 CV 1 OR { 6289} (( segid " " and resid 174 and name HG2 )) (( segid " " and resid 175 and name HN )) ASSI { 6291} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 173 and name HN )) 2.800 1.000 1.000 peak 6291 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 0.750 ppm2 7.609 CV 1 ASSI { 6293} ( segid " " and resid 172 and name HB% ) (( segid " " and resid 173 and name HN )) 2.900 1.000 1.000 peak 6293 spectrum 1 weight 0.10000E+01 volume 0.14923E-02 ppm1 1.235 ppm2 7.591 CV 1 ASSI { 6296} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HN )) 3.300 1.300 1.300 peak 6296 spectrum 1 weight 0.10000E+01 volume 0.71355E-03 ppm1 3.825 ppm2 8.073 CV 1 ASSI { 6297} (( segid " " and resid 167 and name HB )) (( segid " " and resid 167 and name HN )) 3.000 1.100 1.100 peak 6297 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 3.829 ppm2 7.729 CV 1 ASSI { 6299} (( segid " " and resid 166 and name HB2 )) (( segid " " and resid 166 and name HN )) 2.800 0.900 0.900 peak 6299 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 1.993 ppm2 8.547 CV 1 ASSI { 6300} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HN )) 2.800 1.000 1.000 peak 6300 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 1.940 ppm2 8.546 CV 1 ASSI { 6301} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HN )) 3.000 1.200 1.200 peak 6301 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 1.688 ppm2 8.554 CV 1 ASSI { 6306} ( segid " " and resid 61 and name HD2%) ( segid " " and resid 64 and name HE% ) 2.500 0.800 0.800 peak 6306 spectrum 1 weight 0.10000E+01 volume 0.35279E-02 ppm1 1.060 ppm2 6.799 CV 1 ASSI { 6307} ( segid " " and resid 61 and name HD2%) ( segid " " and resid 64 and name HD% ) 2.600 0.800 0.800 peak 6307 spectrum 1 weight 0.10000E+01 volume 0.29991E-02 ppm1 1.058 ppm2 7.039 CV 1 ASSI { 6310} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 165 and name HN )) 2.900 1.000 1.000 peak 6310 spectrum 1 weight 0.10000E+01 volume 0.14851E-02 ppm1 1.054 ppm2 7.464 CV 1 ASSI { 6311} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 23 and name HN )) 3.000 1.100 1.100 peak 6311 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 1.054 ppm2 7.742 CV 1 ASSI { 6312} (( segid " " and resid 163 and name HB2 )) (( segid " " and resid 163 and name HN )) 2.900 1.000 1.000 peak 6312 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 1.664 ppm2 7.849 CV 1 ASSI { 6314} (( segid " " and resid 163 and name HG2 )) ( segid " " and resid 117 and name HD1%) 2.700 0.900 0.900 peak 6314 spectrum 1 weight 0.10000E+01 volume 0.24521E-02 ppm1 1.555 ppm2 0.517 CV 1 ASSI { 6315} (( segid " " and resid 162 and name HG1 )) (( segid " " and resid 162 and name HB2 )) 3.100 1.200 1.200 peak 6315 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 1.983 ppm2 2.590 CV 1 ASSI { 6316} (( segid " " and resid 162 and name HG1 )) (( segid " " and resid 162 and name HA )) 3.200 1.300 1.300 peak 6316 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 1.984 ppm2 3.906 CV 1 ASSI { 6317} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 3.300 1.300 1.300 peak 6317 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 3.882 ppm2 2.548 CV 1 ASSI { 6320} ( segid " " and resid 160 and name HD1%) ( segid " " and resid 28 and name HE% ) 2.900 1.100 1.100 peak 6320 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 -0.095 ppm2 6.641 CV 1 ASSI { 6322} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 193 and name H22 )) 2.900 1.100 1.100 peak 6322 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 0.433 ppm2 6.768 CV 1 OR { 6322} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 193 and name H21 )) ASSI { 6323} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 158 and name HG )) 3.100 1.200 1.200 peak 6323 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.434 ppm2 6.997 CV 1 ASSI { 6326} ( segid " " and resid 159 and name HB% ) ( segid " " and resid 28 and name HE% ) 2.800 1.000 1.000 peak 6326 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 1.701 ppm2 6.631 CV 1 ASSI { 6327} ( segid " " and resid 159 and name HB% ) ( segid " " and resid 28 and name HD% ) 3.000 1.100 1.100 peak 6327 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 1.699 ppm2 6.837 CV 1 ASSI { 6332} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 122 and name HN )) 3.000 3.000 3.000 peak 6332 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 2.708 ppm2 7.151 CV 1 ASSI { 6334} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HN )) 2.800 0.900 0.900 peak 6334 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 4.419 ppm2 8.054 CV 1 ASSI { 6339} (( segid " " and resid 150 and name HA2 )) (( segid " " and resid 150 and name HN )) 3.200 1.300 1.300 peak 6339 spectrum 1 weight 0.10000E+01 volume 0.77513E-03 ppm1 3.774 ppm2 7.331 CV 1 ASSI { 6341} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 151 and name HN )) 2.900 1.100 1.100 peak 6341 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 0.496 ppm2 8.544 CV 1 ASSI { 6343} ( segid " " and resid 149 and name HD1%) ( segid " " and resid 98 and name HD% ) 3.100 1.200 1.200 peak 6343 spectrum 1 weight 0.10000E+01 volume 0.10323E-02 ppm1 0.486 ppm2 6.896 CV 1 ASSI { 6346} (( segid " " and resid 44 and name HB )) (( segid " " and resid 45 and name HN )) 2.600 2.600 3.400 peak 6346 spectrum 1 weight 0.10000E+01 volume 0.31729E-02 ppm1 1.872 ppm2 8.397 CV 1 ASSI { 6347} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HN )) 2.800 2.800 3.200 peak 6347 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 2.118 ppm2 7.837 CV 1 ASSI { 6348} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HN )) 2.900 1.000 1.000 peak 6348 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 1.880 ppm2 7.833 CV 1 ASSI { 6349} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 149 and name HN )) 3.100 1.200 1.200 peak 6349 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 2.115 ppm2 7.495 CV 1 ASSI { 6350} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 6350 spectrum 1 weight 0.10000E+01 volume 0.80411E-03 ppm1 1.873 ppm2 7.502 CV 1 ASSI { 6352} (( segid " " and resid 147 and name HG2 )) (( segid " " and resid 147 and name HN )) 2.400 2.400 3.600 peak 6352 spectrum 1 weight 0.10000E+01 volume 0.45277E-02 ppm1 1.419 ppm2 7.771 CV 1 ASSI { 6353} (( segid " " and resid 147 and name HG1 )) (( segid " " and resid 147 and name HN )) 2.600 0.800 0.800 peak 6353 spectrum 1 weight 0.10000E+01 volume 0.31693E-02 ppm1 1.304 ppm2 7.774 CV 1 ASSI { 6356} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 151 and name HN )) 3.200 1.300 1.300 peak 6356 spectrum 1 weight 0.10000E+01 volume 0.85844E-03 ppm1 1.383 ppm2 8.537 CV 1 ASSI { 6363} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 144 and name HN )) 3.100 1.200 1.200 peak 6363 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 1.342 ppm2 7.527 CV 1 ASSI { 6368} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 138 and name HN )) 2.700 0.900 0.900 peak 6368 spectrum 1 weight 0.10000E+01 volume 0.22566E-02 ppm1 0.366 ppm2 7.832 CV 1 ASSI { 6369} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 90 and name HN )) 2.900 2.900 3.100 peak 6369 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 0.365 ppm2 7.444 CV 1 ASSI { 6370} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HN )) 2.800 1.000 1.000 peak 6370 spectrum 1 weight 0.10000E+01 volume 0.16517E-02 ppm1 0.365 ppm2 8.693 CV 1 ASSI { 6371} ( segid " " and resid 137 and name HD1%) ( segid " " and resid 82 and name HE% ) 3.000 1.100 1.100 peak 6371 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 0.362 ppm2 7.136 CV 1 ASSI { 6372} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 138 and name HN )) 2.900 1.000 1.000 peak 6372 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 0.119 ppm2 7.827 CV 1 ASSI { 6374} (( segid " " and resid 135 and name HB )) (( segid " " and resid 136 and name HD2 )) 2.600 0.800 0.800 peak 6374 spectrum 1 weight 0.10000E+01 volume 0.30933E-02 ppm1 4.108 ppm2 3.691 CV 1 ASSI { 6375} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HD2 )) 2.400 0.700 0.700 peak 6375 spectrum 1 weight 0.10000E+01 volume 0.47921E-02 ppm1 1.096 ppm2 3.694 CV 1 OR { 6375} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HD1 )) ASSI { 6376} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 135 and name HN )) 2.300 0.600 0.600 peak 6376 spectrum 1 weight 0.10000E+01 volume 0.63351E-02 ppm1 1.095 ppm2 7.786 CV 1 ASSI { 6378} (( segid " " and resid 135 and name HB )) (( segid " " and resid 135 and name HN )) 3.000 1.100 1.100 peak 6378 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 4.106 ppm2 7.794 CV 1 ASSI { 6380} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 135 and name HN )) 2.600 2.600 3.400 peak 6380 spectrum 1 weight 0.10000E+01 volume 0.28071E-02 ppm1 0.849 ppm2 7.784 CV 1 ASSI { 6381} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HN )) 2.900 1.000 1.000 peak 6381 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 0.848 ppm2 7.233 CV 1 ASSI { 6383} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HN )) 2.500 2.500 3.500 peak 6383 spectrum 1 weight 0.10000E+01 volume 0.34881E-02 ppm1 0.861 ppm2 7.901 CV 1 ASSI { 6386} (( segid " " and resid 153 and name HG1 )) (( segid " " and resid 154 and name HN )) 2.400 2.400 3.600 peak 6386 spectrum 1 weight 0.10000E+01 volume 0.40821E-02 ppm1 1.279 ppm2 8.063 CV 1 ASSI { 6387} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HN )) 2.400 2.400 3.600 peak 6387 spectrum 1 weight 0.10000E+01 volume 0.51977E-02 ppm1 1.638 ppm2 8.031 CV 1 ASSI { 6388} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HN )) 2.400 0.700 0.700 peak 6388 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 1.597 ppm2 8.034 CV 1 ASSI { 6392} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HN )) 2.700 2.700 3.300 peak 6392 spectrum 1 weight 0.10000E+01 volume 0.21298E-02 ppm1 1.532 ppm2 7.244 CV 1 ASSI { 6393} (( segid " " and resid 132 and name HE1 )) (( segid " " and resid 132 and name HN )) 2.600 0.800 0.800 peak 6393 spectrum 1 weight 0.10000E+01 volume 0.30861E-02 ppm1 2.935 ppm2 7.249 CV 1 OR { 6393} (( segid " " and resid 132 and name HE2 )) (( segid " " and resid 132 and name HN )) ASSI { 6394} (( segid " " and resid 132 and name HD1 )) (( segid " " and resid 132 and name HN )) 2.700 0.900 0.900 peak 6394 spectrum 1 weight 0.10000E+01 volume 0.23978E-02 ppm1 1.651 ppm2 7.239 CV 1 ASSI { 6396} (( segid " " and resid 131 and name HA )) (( segid " " and resid 132 and name HN )) 3.000 1.100 1.100 peak 6396 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 4.051 ppm2 7.254 CV 1 ASSI { 6398} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HN )) 2.600 2.600 3.400 peak 6398 spectrum 1 weight 0.10000E+01 volume 0.29919E-02 ppm1 2.171 ppm2 7.747 CV 1 ASSI { 6399} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 131 and name HN )) 2.200 0.600 0.600 peak 6399 spectrum 1 weight 0.10000E+01 volume 0.67878E-02 ppm1 2.510 ppm2 7.747 CV 1 ASSI { 6400} (( segid " " and resid 131 and name HG1 )) (( segid " " and resid 131 and name HN )) 2.300 2.300 3.700 peak 6400 spectrum 1 weight 0.10000E+01 volume 0.56867E-02 ppm1 2.283 ppm2 7.749 CV 1 ASSI { 6401} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 132 and name HN )) 2.800 1.000 1.000 peak 6401 spectrum 1 weight 0.10000E+01 volume 0.17965E-02 ppm1 2.511 ppm2 7.238 CV 1 ASSI { 6402} (( segid " " and resid 131 and name HG1 )) (( segid " " and resid 132 and name HN )) 2.900 2.900 3.100 peak 6402 spectrum 1 weight 0.10000E+01 volume 0.14163E-02 ppm1 2.283 ppm2 7.243 CV 1 ASSI { 6406} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HN )) 2.400 0.700 0.700 peak 6406 spectrum 1 weight 0.10000E+01 volume 0.41075E-02 ppm1 1.636 ppm2 8.348 CV 1 ASSI { 6408} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HN )) 3.200 1.300 1.300 peak 6408 spectrum 1 weight 0.10000E+01 volume 0.79686E-03 ppm1 3.991 ppm2 8.299 CV 1 ASSI { 6410} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 130 and name HN )) 3.200 1.300 1.300 peak 6410 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 0.617 ppm2 8.344 CV 1 ASSI { 6411} (( segid " " and resid 129 and name HG )) (( segid " " and resid 129 and name HN )) 2.900 1.100 1.100 peak 6411 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 1.752 ppm2 8.150 CV 1 ASSI { 6415} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HN )) 2.600 0.900 0.900 peak 6415 spectrum 1 weight 0.10000E+01 volume 0.26731E-02 ppm1 1.958 ppm2 8.018 CV 1 ASSI { 6417} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HN )) 2.500 0.800 0.800 peak 6417 spectrum 1 weight 0.10000E+01 volume 0.34881E-02 ppm1 1.452 ppm2 8.006 CV 1 ASSI { 6419} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HN )) 2.300 0.600 0.600 peak 6419 spectrum 1 weight 0.10000E+01 volume 0.63531E-02 ppm1 2.363 ppm2 8.381 CV 1 ASSI { 6422} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HN )) 2.800 1.000 1.000 peak 6422 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 1.853 ppm2 8.800 CV 1 ASSI { 6424} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 124 and name HN )) 2.700 0.900 0.900 peak 6424 spectrum 1 weight 0.10000E+01 volume 0.24956E-02 ppm1 1.856 ppm2 8.449 CV 1 ASSI { 6425} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 123 and name HN )) 3.100 3.100 2.900 peak 6425 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 1.468 ppm2 8.812 CV 1 ASSI { 6426} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 123 and name HN )) 3.100 3.100 2.900 peak 6426 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 1.335 ppm2 8.799 CV 1 ASSI { 6427} (( segid " " and resid 123 and name HD1 )) (( segid " " and resid 123 and name HN )) 3.000 1.100 1.100 peak 6427 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 1.613 ppm2 8.800 CV 1 ASSI { 6429} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HN )) 2.800 1.000 1.000 peak 6429 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 4.545 ppm2 7.175 CV 1 ASSI { 6430} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HA )) 2.500 0.800 0.800 peak 6430 spectrum 1 weight 0.10000E+01 volume 0.35026E-02 ppm1 2.709 ppm2 4.761 CV 1 ASSI { 6431} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HA )) 2.600 0.800 0.800 peak 6431 spectrum 1 weight 0.10000E+01 volume 0.30861E-02 ppm1 2.419 ppm2 4.772 CV 1 ASSI { 6434} ( segid " " and resid 113 and name HG1%) (( segid " " and resid 113 and name HN )) 3.100 1.200 1.200 peak 6434 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 0.349 ppm2 9.225 CV 1 ASSI { 6435} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HN )) 3.000 1.100 1.100 peak 6435 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 0.488 ppm2 9.017 CV 1 ASSI { 6437} (( segid " " and resid 99 and name HG2 )) (( segid " " and resid 99 and name HD1 )) 3.100 1.200 1.200 peak 6437 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 1.759 ppm2 3.571 CV 1 ASSI { 6442} ( segid " " and resid 101 and name HG1%) ( segid " " and resid 78 and name HD% ) 3.100 1.200 1.200 peak 6442 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 -0.226 ppm2 6.840 CV 1 ASSI { 6444} (( segid " " and resid 100 and name HG1 )) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 6444 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 2.426 ppm2 4.073 CV 1 OR { 6444} (( segid " " and resid 100 and name HG2 )) (( segid " " and resid 100 and name HA )) ASSI { 6451} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HN )) 3.100 1.200 1.200 peak 6451 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 1.374 ppm2 6.366 CV 1 OR { 6451} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HN )) ASSI { 6452} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HG2%) 3.200 1.300 1.300 peak 6452 spectrum 1 weight 0.10000E+01 volume 0.78237E-03 ppm1 3.695 ppm2 1.229 CV 1 ASSI { 6453} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HN )) 3.000 1.100 1.100 peak 6453 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 2.023 ppm2 8.168 CV 1 ASSI { 6454} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 6454 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 1.947 ppm2 7.856 CV 1 ASSI { 6455} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HN )) 3.000 1.200 1.200 peak 6455 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 1.946 ppm2 8.170 CV 1 ASSI { 6457} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HN )) 2.400 0.700 0.700 peak 6457 spectrum 1 weight 0.10000E+01 volume 0.42233E-02 ppm1 2.259 ppm2 8.194 CV 1 OR { 6457} (( segid " " and resid 91 and name HG1 )) (( segid " " and resid 91 and name HN )) ASSI { 6459} ( segid " " and resid 146 and name HB% ) ( segid " " and resid 154 and name HD% ) 3.100 1.200 1.200 peak 6459 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.376 ppm2 6.150 CV 1 ASSI { 6461} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 85 and name HN )) 2.900 1.100 1.100 peak 6461 spectrum 1 weight 0.10000E+01 volume 0.14126E-02 ppm1 0.608 ppm2 7.402 CV 1 ASSI { 6466} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HN )) 2.700 2.700 3.300 peak 6466 spectrum 1 weight 0.10000E+01 volume 0.24703E-02 ppm1 0.878 ppm2 7.463 CV 1 ASSI { 6468} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 6468 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 1.988 ppm2 9.002 CV 1 ASSI { 6469} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.200 1.300 1.300 peak 6469 spectrum 1 weight 0.10000E+01 volume 0.85482E-03 ppm1 2.046 ppm2 8.994 CV 1 ASSI { 6475} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.100 1.200 1.200 peak 6475 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 2.667 ppm2 8.590 CV 1 ASSI { 6476} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 6476 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 1.713 ppm2 4.822 CV 1 ASSI { 6477} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 6477 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 1.768 ppm2 4.824 CV 1 ASSI { 6478} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 6478 spectrum 1 weight 0.10000E+01 volume 0.17785E-02 ppm1 1.708 ppm2 7.941 CV 1 ASSI { 6479} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 6479 spectrum 1 weight 0.10000E+01 volume 0.38937E-02 ppm1 1.314 ppm2 7.944 CV 1 OR { 6479} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HN )) ASSI { 6480} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.200 1.300 1.300 peak 6480 spectrum 1 weight 0.10000E+01 volume 0.80411E-03 ppm1 4.130 ppm2 8.442 CV 1 ASSI { 6481} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HN )) 2.900 1.000 1.000 peak 6481 spectrum 1 weight 0.10000E+01 volume 0.16299E-02 ppm1 0.714 ppm2 8.668 CV 1 ASSI { 6486} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 46 and name HN )) 3.000 3.000 3.000 peak 6486 spectrum 1 weight 0.10000E+01 volume 0.12460E-02 ppm1 2.223 ppm2 8.690 CV 1 ASSI { 6487} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 6487 spectrum 1 weight 0.10000E+01 volume 0.47269E-02 ppm1 1.748 ppm2 5.085 CV 1 ASSI { 6489} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 46 and name HN )) 2.600 0.900 0.900 peak 6489 spectrum 1 weight 0.10000E+01 volume 0.26369E-02 ppm1 1.748 ppm2 8.680 CV 1 ASSI { 6490} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 6490 spectrum 1 weight 0.10000E+01 volume 0.24776E-02 ppm1 1.749 ppm2 9.090 CV 1 ASSI { 6491} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HN )) 2.500 2.500 3.500 peak 6491 spectrum 1 weight 0.10000E+01 volume 0.34555E-02 ppm1 0.762 ppm2 8.416 CV 1 ASSI { 6492} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HN )) 3.100 1.200 1.200 peak 6492 spectrum 1 weight 0.10000E+01 volume 0.97439E-03 ppm1 1.879 ppm2 8.935 CV 1 ASSI { 6493} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HN )) 2.500 2.500 3.500 peak 6493 spectrum 1 weight 0.10000E+01 volume 0.32889E-02 ppm1 0.797 ppm2 8.934 CV 1 ASSI { 6495} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 52 and name HN )) 2.500 2.500 3.500 peak 6495 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 0.795 ppm2 8.607 CV 1 ASSI { 6504} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HD21)) 2.700 0.900 0.900 peak 6504 spectrum 1 weight 0.10000E+01 volume 0.23073E-02 ppm1 2.809 ppm2 6.718 CV 1 ASSI { 6509} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 27 and name HN )) 2.600 2.600 3.400 peak 6509 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 1.143 ppm2 7.594 CV 1 ASSI { 6510} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HB )) 2.000 0.500 0.500 peak 6510 spectrum 1 weight 0.10000E+01 volume 0.14166E-01 ppm1 1.143 ppm2 4.226 CV 1 ASSI { 6511} (( segid " " and resid 25 and name HB )) ( segid " " and resid 21 and name HG2%) 3.100 1.200 1.200 peak 6511 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 4.215 ppm2 0.710 CV 1 ASSI { 6512} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 6512 spectrum 1 weight 0.10000E+01 volume 0.74615E-03 ppm1 1.002 ppm2 8.083 CV 1 ASSI { 6513} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HD% ) 3.000 1.100 1.100 peak 6513 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 4.132 ppm2 6.259 CV 1 ASSI { 6515} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HD1 )) 3.000 1.200 1.200 peak 6515 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 0.761 ppm2 2.940 CV 1 ASSI { 6516} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HD2 )) 3.100 1.200 1.200 peak 6516 spectrum 1 weight 0.10000E+01 volume 0.10540E-02 ppm1 0.763 ppm2 3.080 CV 1 ASSI { 6518} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 6518 spectrum 1 weight 0.10000E+01 volume 0.83308E-03 ppm1 3.690 ppm2 7.308 CV 1 ASSI { 6519} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 19 and name HN )) 3.200 1.300 1.300 peak 6519 spectrum 1 weight 0.10000E+01 volume 0.84032E-03 ppm1 0.702 ppm2 7.938 CV 1 ASSI { 6524} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HN )) 3.000 1.100 1.100 peak 6524 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 0.952 ppm2 8.664 CV 1 ASSI { 6526} ( segid " " and resid 7 and name HG1%) (( segid " " and resid 8 and name HN )) 3.100 1.200 1.200 peak 6526 spectrum 1 weight 0.10000E+01 volume 0.92001E-03 ppm1 0.625 ppm2 8.165 CV 1 ASSI { 6527} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 3.000 1.100 1.100 peak 6527 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 1.002 ppm2 8.182 CV 1 ASSI { 6529} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HN )) 3.000 1.100 1.100 peak 6529 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 0.734 ppm2 8.384 CV 1 ASSI { 6530} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 177 and name HN )) 3.000 1.100 1.100 peak 6530 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 0.737 ppm2 8.149 CV 1 ASSI { 6534} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HE22)) 2.500 2.500 3.500 peak 6534 spectrum 1 weight 0.10000E+01 volume 0.36583E-02 ppm1 2.248 ppm2 7.567 CV 1 ASSI { 6535} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.000 1.100 1.100 peak 6535 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 1.997 ppm2 8.618 CV 1 ASSI { 6537} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HN )) 3.000 1.100 1.100 peak 6537 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 2.005 ppm2 8.228 CV 1 ASSI { 6539} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HN )) 3.100 1.200 1.200 peak 6539 spectrum 1 weight 0.10000E+01 volume 0.92726E-03 ppm1 2.180 ppm2 8.223 CV 1 ASSI { 6541} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 3 and name HN )) 2.700 2.700 3.300 peak 6541 spectrum 1 weight 0.10000E+01 volume 0.21552E-02 ppm1 2.245 ppm2 8.616 CV 1 ASSI { 6542} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 3 and name HN )) 2.800 1.000 1.000 peak 6542 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 2.180 ppm2 8.619 CV 1 ASSI { 6552} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HN )) 2.300 0.700 0.700 peak 6552 spectrum 1 weight 0.10000E+01 volume 0.53571E-02 ppm1 0.860 ppm2 8.350 CV 1 ASSI { 6562} (( segid " " and resid 166 and name HD2 )) (( segid " " and resid 166 and name HN )) 3.000 1.100 1.100 peak 6562 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.773 ppm2 8.527 CV 1 ASSI { 6563} (( segid " " and resid 166 and name HD1 )) (( segid " " and resid 166 and name HN )) 3.100 1.200 1.200 peak 6563 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 1.677 ppm2 8.526 CV 1 ASSI { 6566} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 91 and name HA )) 2.600 2.600 3.400 peak 6566 spectrum 1 weight 0.10000E+01 volume 0.26079E-02 ppm1 0.758 ppm2 3.729 CV 1 ASSI { 6567} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 145 and name HA )) 2.700 0.900 0.900 peak 6567 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 0.763 ppm2 4.124 CV 1 ASSI { 6568} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 6568 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 0.765 ppm2 3.995 CV 1 ASSI { 6569} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HB1 )) 2.300 0.700 0.700 peak 6569 spectrum 1 weight 0.10000E+01 volume 0.54042E-02 ppm1 0.761 ppm2 1.679 CV 1 ASSI { 6570} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HG1 )) 2.400 0.700 0.700 peak 6570 spectrum 1 weight 0.10000E+01 volume 0.40893E-02 ppm1 0.763 ppm2 1.388 CV 1 OR { 6570} ( segid " " and resid 145 and name HE% ) (( segid " " and resid 94 and name HG2 )) ASSI { 6572} ( segid " " and resid 145 and name HE% ) ( segid " " and resid 93 and name HG2%) 2.500 0.800 0.800 peak 6572 spectrum 1 weight 0.10000E+01 volume 0.34229E-02 ppm1 0.758 ppm2 1.222 CV 1 ASSI { 6574} ( segid " " and resid 80 and name HD1%) ( segid " " and resid 78 and name HD% ) 3.100 1.200 1.200 peak 6574 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 0.759 ppm2 6.870 CV 1 ASSI { 6575} ( segid " " and resid 119 and name HD2%) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 6575 spectrum 1 weight 0.10000E+01 volume 0.24884E-02 ppm1 0.849 ppm2 7.818 CV 1 ASSI { 6582} ( segid " " and resid 23 and name HE% ) ( segid " " and resid 55 and name HD1%) 3.200 1.300 1.300 peak 6582 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 6.230 ppm2 0.588 CV 1 ASSI { 6583} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 40 and name HE% ) 2.400 0.700 0.700 peak 6583 spectrum 1 weight 0.10000E+01 volume 0.40749E-02 ppm1 6.827 ppm2 6.560 CV 1 ASSI { 6586} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 55 and name HD1%) 3.000 1.200 1.200 peak 6586 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 6.824 ppm2 0.618 CV 1 ASSI { 6589} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 160 and name HD1%) 2.800 2.800 3.200 peak 6589 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 1.062 ppm2 -0.083 CV 1 ASSI { 6590} ( segid " " and resid 72 and name HE% ) ( segid " " and resid 9 and name HG2%) 2.900 1.000 1.000 peak 6590 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 6.537 ppm2 1.075 CV 1 ASSI { 6591} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 43 and name HA )) 2.900 1.000 1.000 peak 6591 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 1.874 ppm2 5.495 CV 1 ASSI { 6593} ( segid " " and resid 143 and name HD2%) ( segid " " and resid 154 and name HD% ) 2.600 0.900 0.900 peak 6593 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 0.860 ppm2 6.124 CV 1 OR { 6593} ( segid " " and resid 143 and name HD1%) ( segid " " and resid 154 and name HD% ) ASSI { 6594} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 50 and name HA )) 3.000 3.000 3.000 peak 6594 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 1.877 ppm2 4.833 CV 1 ASSI { 6595} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HA )) 2.600 2.600 3.400 peak 6595 spectrum 1 weight 0.10000E+01 volume 0.31947E-02 ppm1 1.873 ppm2 4.317 CV 1 ASSI { 6600} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HN )) 3.100 1.200 1.200 peak 6600 spectrum 1 weight 0.10000E+01 volume 0.99609E-03 ppm1 0.805 ppm2 7.327 CV 1 ASSI { 6623} (( segid " " and resid 182 and name HA )) (( segid " " and resid 181 and name HA )) 2.900 2.900 3.100 peak 6623 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 3.960 ppm2 4.403 CV 1 ASSI { 6711} ( segid " " and resid 139 and name HD% ) ( segid " " and resid 143 and name HD1%) 2.600 0.800 0.800 peak 6711 spectrum 1 weight 0.10000E+01 volume 0.30969E-02 ppm1 7.061 ppm2 0.871 CV 1 ASSI { 6730} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 21 and name HD1%) 3.100 1.200 1.200 peak 6730 spectrum 1 weight 0.10000E+01 volume 0.92364E-03 ppm1 6.546 ppm2 0.488 CV 1 ASSI { 6739} ( segid " " and resid 64 and name HD% ) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 6739 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 7.023 ppm2 4.198 CV 1 ASSI { 6742} ( segid " " and resid 139 and name HD% ) ( segid " " and resid 139 and name HE% ) 2.100 0.500 0.500 peak 6742 spectrum 1 weight 0.10000E+01 volume 0.10576E-01 ppm1 7.065 ppm2 6.756 CV 1 ASSI { 6743} ( segid " " and resid 64 and name HE% ) ( segid " " and resid 64 and name HD% ) 2.200 0.600 0.600 peak 6743 spectrum 1 weight 0.10000E+01 volume 0.81932E-02 ppm1 6.773 ppm2 7.045 CV 1 ASSI { 6746} ( segid " " and resid 139 and name HE% ) ( segid " " and resid 143 and name HD1%) 2.100 0.600 0.600 peak 6746 spectrum 1 weight 0.10000E+01 volume 0.97039E-02 ppm1 6.734 ppm2 0.873 CV 1 ASSI { 6751} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 9 and name HG2%) 3.100 1.200 1.200 peak 6751 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.797 ppm2 1.053 CV 1 ASSI { 8713} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 147 and name HN )) 2.300 0.700 0.700 peak 8713 spectrum 1 weight 0.10000E+01 volume 0.55092E-02 ppm1 1.381 ppm2 7.762 CV 1 ASSI { 8873} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 123 and name HA )) 2.400 0.700 0.700 peak 8873 spectrum 1 weight 0.10000E+01 volume 0.49115E-02 ppm1 1.328 ppm2 3.816 CV 1 ASSI { 9255} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 51 and name HN )) 2.700 2.700 3.300 peak 9255 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 0.749 ppm2 9.109 CV 1 ASSI { 9431} (( segid " " and resid 185 and name HB1 )) (( segid " " and resid 185 and name HA )) 2.600 0.800 0.800 peak 9431 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 1.625 ppm2 4.092 CV 1 ASSI {10538} (( segid " " and resid 180 and name HD2 )) ( segid " " and resid 152 and name HG1%) 3.000 3.000 3.000 peak 10538 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 3.835 ppm2 1.024 CV 1 ASSI {10551} (( segid " " and resid 180 and name HD1 )) ( segid " " and resid 152 and name HG1%) 3.000 1.100 1.100 peak 10551 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 3.599 ppm2 1.021 CV 1 ASSI {10552} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 2 and name HE22)) 3.200 1.300 1.300 peak 10552 spectrum 1 weight 0.10000E+01 volume 0.77150E-03 ppm1 0.669 ppm2 7.561 CV 1 ASSI {10556} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 49 and name HE1 )) 3.000 1.100 1.100 peak 10556 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 0.668 ppm2 2.919 CV 1 OR {10556} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 49 and name HE2 )) ASSI {10557} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 174 and name HA )) 3.000 1.100 1.100 peak 10557 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 0.670 ppm2 3.716 CV 1 ASSI {10560} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 177 and name HN )) 2.700 0.900 0.900 peak 10560 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 0.874 ppm2 8.150 CV 1 OR {10560} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 177 and name HN )) ASSI {10569} ( segid " " and resid 175 and name HB% ) (( segid " " and resid 109 and name HB1 )) 2.400 0.700 0.700 peak 10569 spectrum 1 weight 0.10000E+01 volume 0.42813E-02 ppm1 1.365 ppm2 1.725 CV 1 ASSI {10570} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG12)) 2.900 1.000 1.000 peak 10570 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 3.426 ppm2 1.639 CV 1 ASSI {10571} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB1 )) 3.000 1.100 1.100 peak 10571 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 3.683 ppm2 1.743 CV 1 OR {10571} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB2 )) ASSI {10572} (( segid " " and resid 173 and name HG12)) (( segid " " and resid 173 and name HN )) 3.200 1.300 1.300 peak 10572 spectrum 1 weight 0.10000E+01 volume 0.76788E-03 ppm1 1.893 ppm2 7.578 CV 1 ASSI {10574} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 173 and name HA )) 2.800 1.000 1.000 peak 10574 spectrum 1 weight 0.10000E+01 volume 0.18582E-02 ppm1 0.757 ppm2 3.406 CV 1 ASSI {10575} ( segid " " and resid 173 and name HG2%) (( segid " " and resid 174 and name HN )) 3.200 1.300 1.300 peak 10575 spectrum 1 weight 0.10000E+01 volume 0.77150E-03 ppm1 0.752 ppm2 8.407 CV 1 ASSI {10579} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HG1%) 2.900 1.100 1.100 peak 10579 spectrum 1 weight 0.10000E+01 volume 0.13728E-02 ppm1 3.033 ppm2 -0.262 CV 1 ASSI {10584} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HE2 )) 3.100 1.200 1.200 peak 10584 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 1.932 ppm2 3.085 CV 1 OR {10584} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HE1 )) ASSI {10587} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 165 and name HA )) 3.000 1.200 1.200 peak 10587 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 0.980 ppm2 3.741 CV 1 ASSI {10589} (( segid " " and resid 163 and name HB1 )) (( segid " " and resid 163 and name HN )) 2.700 0.900 0.900 peak 10589 spectrum 1 weight 0.10000E+01 volume 0.20356E-02 ppm1 1.567 ppm2 7.854 CV 1 ASSI {10593} ( segid " " and resid 160 and name HD2%) ( segid " " and resid 28 and name HE% ) 3.200 1.300 1.300 peak 10593 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 0.432 ppm2 6.644 CV 1 ASSI {10597} (( segid " " and resid 119 and name HA )) ( segid " " and resid 119 and name HD2%) 2.900 2.900 3.100 peak 10597 spectrum 1 weight 0.10000E+01 volume 0.15756E-02 ppm1 4.417 ppm2 0.841 CV 1 ASSI {10599} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 154 and name HN )) 2.900 1.000 1.000 peak 10599 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 2.858 ppm2 8.071 CV 1 ASSI {10601} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 152 and name HN )) 2.200 0.600 0.600 peak 10601 spectrum 1 weight 0.10000E+01 volume 0.71790E-02 ppm1 1.003 ppm2 9.065 CV 1 ASSI {10602} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 110 and name HN )) 2.500 0.800 0.800 peak 10602 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 1.003 ppm2 8.562 CV 1 ASSI {10603} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 109 and name HA )) 2.300 2.300 3.700 peak 10603 spectrum 1 weight 0.10000E+01 volume 0.52267E-02 ppm1 1.003 ppm2 4.436 CV 1 ASSI {10604} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 111 and name HA )) 2.400 0.700 0.700 peak 10604 spectrum 1 weight 0.10000E+01 volume 0.42379E-02 ppm1 1.002 ppm2 4.283 CV 1 ASSI {10605} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 175 and name HA )) 2.500 0.800 0.800 peak 10605 spectrum 1 weight 0.10000E+01 volume 0.39771E-02 ppm1 1.003 ppm2 3.995 CV 1 ASSI {10607} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 180 and name HD1 )) 3.000 3.000 3.000 peak 10607 spectrum 1 weight 0.10000E+01 volume 0.13112E-02 ppm1 0.998 ppm2 3.623 CV 1 ASSI {10608} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 10608 spectrum 1 weight 0.10000E+01 volume 0.53896E-02 ppm1 1.002 ppm2 2.332 CV 1 ASSI {10609} ( segid " " and resid 152 and name HG2%) (( segid " " and resid 109 and name HB1 )) 2.200 0.600 0.600 peak 10609 spectrum 1 weight 0.10000E+01 volume 0.70703E-02 ppm1 1.003 ppm2 1.717 CV 1 ASSI {10615} (( segid " " and resid 140 and name HA )) (( segid " " and resid 141 and name HB2 )) 3.200 3.200 2.800 peak 10615 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 3.997 ppm2 2.067 CV 1 ASSI {10617} ( segid " " and resid 139 and name HD% ) (( segid " " and resid 139 and name HB2 )) 3.200 1.300 1.300 peak 10617 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 7.055 ppm2 3.302 CV 1 ASSI {10628} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 137 and name HD1%) 3.200 1.300 1.300 peak 10628 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 2.181 ppm2 0.372 CV 1 ASSI {10630} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 10630 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 2.113 ppm2 4.388 CV 1 ASSI {10634} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 85 and name HA )) 3.100 1.200 1.200 peak 10634 spectrum 1 weight 0.10000E+01 volume 0.90552E-03 ppm1 1.612 ppm2 4.394 CV 1 ASSI {10644} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 123 and name HG1 )) 2.400 0.700 0.700 peak 10644 spectrum 1 weight 0.10000E+01 volume 0.40749E-02 ppm1 2.286 ppm2 1.367 CV 1 ASSI {10645} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 10645 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 4.099 ppm2 7.777 CV 1 ASSI {10646} (( segid " " and resid 130 and name HG2 )) ( segid " " and resid 126 and name HG2%) 2.400 2.400 3.600 peak 10646 spectrum 1 weight 0.10000E+01 volume 0.48681E-02 ppm1 1.600 ppm2 0.882 CV 1 ASSI {10647} (( segid " " and resid 130 and name HG1 )) ( segid " " and resid 126 and name HG2%) 2.400 2.400 3.600 peak 10647 spectrum 1 weight 0.10000E+01 volume 0.49767E-02 ppm1 1.411 ppm2 0.880 CV 1 ASSI {10648} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 135 and name HB )) 2.800 2.800 3.200 peak 10648 spectrum 1 weight 0.10000E+01 volume 0.17930E-02 ppm1 0.617 ppm2 4.131 CV 1 ASSI {10651} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HA )) 3.100 1.200 1.200 peak 10651 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 2.591 ppm2 4.886 CV 1 ASSI {10656} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 122 and name HB2 )) 3.000 3.000 3.000 peak 10656 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 0.653 ppm2 2.965 CV 1 ASSI {10658} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 125 and name HG2%) 2.500 0.800 0.800 peak 10658 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 0.653 ppm2 1.172 CV 1 ASSI {10662} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HB1 )) 2.500 0.800 0.800 peak 10662 spectrum 1 weight 0.10000E+01 volume 0.33903E-02 ppm1 0.480 ppm2 1.087 CV 1 ASSI {10663} ( segid " " and resid 98 and name HE% ) (( segid " " and resid 98 and name HA )) 3.200 1.300 1.300 peak 10663 spectrum 1 weight 0.10000E+01 volume 0.80048E-03 ppm1 6.713 ppm2 4.376 CV 1 ASSI {10667} (( segid " " and resid 79 and name HA )) ( segid " " and resid 79 and name HD1%) 3.000 1.100 1.100 peak 10667 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 5.119 ppm2 0.222 CV 1 ASSI {10669} ( segid " " and resid 79 and name HD2%) (( segid " " and resid 79 and name HB2 )) 2.900 1.000 1.000 peak 10669 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.283 ppm2 1.622 CV 1 ASSI {10675} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 64 and name HD% ) 2.900 1.100 1.100 peak 10675 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 0.804 ppm2 7.076 CV 1 ASSI {10677} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 10677 spectrum 1 weight 0.10000E+01 volume 0.28578E-02 ppm1 0.808 ppm2 3.886 CV 1 ASSI {10679} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 57 and name HB2 )) 2.900 1.100 1.100 peak 10679 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 0.799 ppm2 2.377 CV 1 OR {10679} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 57 and name HB2 )) ASSI {10680} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 4 and name HN )) 2.800 1.000 1.000 peak 10680 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 0.748 ppm2 8.406 CV 1 ASSI {10682} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 2 and name HN )) 2.700 2.700 3.300 peak 10682 spectrum 1 weight 0.10000E+01 volume 0.21226E-02 ppm1 1.808 ppm2 8.155 CV 1 ASSI {10689} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 1140 and name HA )) 2.800 1.000 1.000 peak 10689 spectrum 1 weight 0.10000E+01 volume 0.17893E-02 ppm1 0.626 ppm2 4.142 CV 1 ASSI {10691} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 36 and name HB )) 2.400 0.800 0.800 peak 10691 spectrum 1 weight 0.10000E+01 volume 0.40712E-02 ppm1 0.633 ppm2 1.730 CV 1 ASSI {10692} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 10692 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 2.893 ppm2 4.874 CV 1 ASSI {10696} ( segid " " and resid 17 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 10696 spectrum 1 weight 0.10000E+01 volume 0.93453E-03 ppm1 1.089 ppm2 6.548 CV 1 ASSI {10701} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 113 and name HG1%) 2.400 0.700 0.700 peak 10701 spectrum 1 weight 0.10000E+01 volume 0.43139E-02 ppm1 0.629 ppm2 0.354 CV 1 ASSI {10703} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HB2 )) 2.000 0.500 0.500 peak 10703 spectrum 1 weight 0.10000E+01 volume 0.14198E-01 ppm1 0.858 ppm2 1.630 CV 1 ASSI {10704} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 19 and name HB1 )) 2.100 0.600 0.600 peak 10704 spectrum 1 weight 0.10000E+01 volume 0.10113E-01 ppm1 0.824 ppm2 1.733 CV 1 ASSI {10706} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 177 and name HG )) 2.500 2.500 3.500 peak 10706 spectrum 1 weight 0.10000E+01 volume 0.32237E-02 ppm1 0.739 ppm2 1.692 CV 1 ASSI {10707} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 53 and name HA )) 3.100 3.100 2.900 peak 10707 spectrum 1 weight 0.10000E+01 volume 0.95623E-03 ppm1 1.362 ppm2 4.695 CV 1 ASSI {10709} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 10709 spectrum 1 weight 0.10000E+01 volume 0.31078E-02 ppm1 1.874 ppm2 2.698 CV 1 ASSI {10712} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 10712 spectrum 1 weight 0.10000E+01 volume 0.48898E-02 ppm1 1.876 ppm2 2.453 CV 1 ASSI {10714} (( segid " " and resid 184 and name HA )) (( segid " " and resid 185 and name HN )) 2.300 0.700 0.700 peak 10714 spectrum 1 weight 0.10000E+01 volume 0.55780E-02 ppm1 4.212 ppm2 7.944 CV 1 ASSI {10774} (( segid " " and resid 187 and name HB1 )) (( segid " " and resid 187 and name HA )) 2.300 0.600 0.600 peak 10774 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 1.680 ppm2 4.256 CV 1 ASSI {10775} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HA )) 2.300 0.700 0.700 peak 10775 spectrum 1 weight 0.10000E+01 volume 0.57627E-02 ppm1 1.752 ppm2 4.252 CV 1 ASSI {10776} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HD1 )) 2.600 0.900 0.900 peak 10776 spectrum 1 weight 0.10000E+01 volume 0.27238E-02 ppm1 1.749 ppm2 3.139 CV 1 OR {10776} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HD2 )) ASSI {10783} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 1140 and name HB1 )) 3.000 1.100 1.100 peak 10783 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 0.612 ppm2 1.936 CV 1 ASSI {10797} ( segid " " and resid 36 and name HG1%) (( segid " " and resid 36 and name HB )) 2.700 0.900 0.900 peak 10797 spectrum 1 weight 0.10000E+01 volume 0.20574E-02 ppm1 0.615 ppm2 1.731 CV 1 ASSI {10799} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 33 and name HB )) 3.100 3.100 2.900 peak 10799 spectrum 1 weight 0.10000E+01 volume 0.10070E-02 ppm1 6.691 ppm2 1.552 CV 1 ASSI {10800} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 31 and name HB1 )) 2.800 2.800 3.200 peak 10800 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 6.691 ppm2 1.866 CV 1 OR {10800} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 31 and name HB2 )) ASSI {10802} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 32 and name HB1 )) 3.100 3.100 2.900 peak 10802 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 6.700 ppm2 2.807 CV 1 ASSI {10803} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 32 and name HB2 )) 3.100 3.100 2.900 peak 10803 spectrum 1 weight 0.10000E+01 volume 0.97076E-03 ppm1 6.685 ppm2 2.910 CV 1 ASSI {10805} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 32 and name HE% ) 2.000 0.500 0.500 peak 10805 spectrum 1 weight 0.10000E+01 volume 0.15082E-01 ppm1 6.964 ppm2 6.715 CV 1 ASSI {10806} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 10806 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 6.963 ppm2 2.900 CV 1 ASSI {10807} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 32 and name HB1 )) 2.900 1.100 1.100 peak 10807 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 6.961 ppm2 2.786 CV 1 ASSI {10809} ( segid " " and resid 28 and name HD% ) ( segid " " and resid 160 and name HD1%) 3.100 1.200 1.200 peak 10809 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 6.825 ppm2 -0.084 CV 1 ASSI {10810} ( segid " " and resid 72 and name HD% ) ( segid " " and resid 9 and name HG2%) 3.200 1.300 1.300 peak 10810 spectrum 1 weight 0.10000E+01 volume 0.82583E-03 ppm1 6.804 ppm2 1.062 CV 1 ASSI {10811} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 28 and name HB1 )) 3.200 1.300 1.300 peak 10811 spectrum 1 weight 0.10000E+01 volume 0.78237E-03 ppm1 6.811 ppm2 2.758 CV 1 ASSI {10812} ( segid " " and resid 98 and name HD% ) (( segid " " and resid 102 and name HG2 )) 3.100 1.200 1.200 peak 10812 spectrum 1 weight 0.10000E+01 volume 0.93088E-03 ppm1 6.865 ppm2 1.198 CV 1 ASSI {10816} ( segid " " and resid 98 and name HD% ) (( segid " " and resid 99 and name HD1 )) 3.200 1.300 1.300 peak 10816 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 6.851 ppm2 3.622 CV 1 ASSI {10819} ( segid " " and resid 98 and name HE% ) ( segid " " and resid 149 and name HG2%) 3.100 1.200 1.200 peak 10819 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 6.712 ppm2 0.227 CV 1 ASSI {10820} (( segid " " and resid 183 and name HB1 )) (( segid " " and resid 183 and name HA )) 2.000 0.500 0.500 peak 10820 spectrum 1 weight 0.10000E+01 volume 0.15561E-01 ppm1 1.659 ppm2 4.246 CV 1 ASSI {10821} ( segid " " and resid 139 and name HD% ) (( segid " " and resid 140 and name HD2 )) 3.100 1.200 1.200 peak 10821 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 7.074 ppm2 4.039 CV 1 ASSI {10823} ( segid " " and resid 139 and name HD% ) (( segid " " and resid 140 and name HG1 )) 3.000 1.100 1.100 peak 10823 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 7.072 ppm2 2.021 CV 1 ASSI {10825} ( segid " " and resid 64 and name HE% ) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 10825 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 6.775 ppm2 1.985 CV 1 ASSI {10830} ( segid " " and resid 82 and name HD% ) (( segid " " and resid 82 and name HB1 )) 3.200 1.300 1.300 peak 10830 spectrum 1 weight 0.10000E+01 volume 0.76426E-03 ppm1 6.778 ppm2 2.803 CV 1 ASSI {10831} ( segid " " and resid 82 and name HD% ) (( segid " " and resid 82 and name HB2 )) 3.200 1.300 1.300 peak 10831 spectrum 1 weight 0.10000E+01 volume 0.79686E-03 ppm1 6.788 ppm2 3.036 CV 1 ASSI {10834} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 176 and name HN )) 3.100 1.200 1.200 peak 10834 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 0.673 ppm2 7.203 CV 1 ASSI {10835} ( segid " " and resid 82 and name HE% ) ( segid " " and resid 84 and name HD2%) 3.200 1.300 1.300 peak 10835 spectrum 1 weight 0.10000E+01 volume 0.80411E-03 ppm1 7.107 ppm2 1.025 CV 1 ASSI {10839} (( segid " " and resid 169 and name HZ )) ( segid " " and resid 19 and name HD1%) 3.200 1.300 1.300 peak 10839 spectrum 1 weight 0.10000E+01 volume 0.82946E-03 ppm1 6.481 ppm2 0.647 CV 1 ASSI {10840} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HD1 )) 2.200 2.200 3.800 peak 10840 spectrum 1 weight 0.10000E+01 volume 0.87111E-02 ppm1 3.727 ppm2 3.588 CV 1 ASSI {10842} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) 2.900 1.000 1.000 peak 10842 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 3.730 ppm2 2.008 CV 1 ASSI {10844} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB1 )) 3.000 1.100 1.100 peak 10844 spectrum 1 weight 0.10000E+01 volume 0.12170E-02 ppm1 3.735 ppm2 1.553 CV 1 ASSI {10847} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name HA )) 2.000 2.000 4.000 peak 10847 spectrum 1 weight 0.10000E+01 volume 0.14271E-01 ppm1 1.724 ppm2 4.245 CV 1 ASSI {10856} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 192 and name HN )) 3.100 1.200 1.200 peak 10856 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 0.760 ppm2 7.610 CV 1 ASSI {10857} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 10857 spectrum 1 weight 0.10000E+01 volume 0.24558E-02 ppm1 0.758 ppm2 4.701 CV 1 ASSI {10858} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HE2 )) 3.000 1.100 1.100 peak 10858 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 4.231 ppm2 2.935 CV 1 OR {10858} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HE1 )) ASSI {10861} (( segid " " and resid 183 and name HG1 )) (( segid " " and resid 183 and name HA )) 2.300 0.700 0.700 peak 10861 spectrum 1 weight 0.10000E+01 volume 0.56795E-02 ppm1 1.320 ppm2 4.242 CV 1 ASSI {10870} (( segid " " and resid 182 and name HB )) (( segid " " and resid 182 and name HA )) 2.200 2.200 3.800 peak 10870 spectrum 1 weight 0.10000E+01 volume 0.87619E-02 ppm1 1.953 ppm2 3.986 CV 1 ASSI {10871} (( segid " " and resid 191 and name HB1 )) (( segid " " and resid 192 and name HN )) 3.100 1.200 1.200 peak 10871 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 1.477 ppm2 7.634 CV 1 ASSI {10872} (( segid " " and resid 182 and name HB )) (( segid " " and resid 181 and name HA )) 2.700 2.700 3.300 peak 10872 spectrum 1 weight 0.10000E+01 volume 0.24920E-02 ppm1 1.949 ppm2 4.388 CV 1 ASSI {10873} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HA )) 2.100 0.500 0.500 peak 10873 spectrum 1 weight 0.10000E+01 volume 0.11142E-01 ppm1 0.884 ppm2 3.983 CV 1 ASSI {10874} ( segid " " and resid 182 and name HG1%) (( segid " " and resid 182 and name HA )) 2.200 0.600 0.600 peak 10874 spectrum 1 weight 0.10000E+01 volume 0.78745E-02 ppm1 0.853 ppm2 3.985 CV 1 ASSI {10875} ( segid " " and resid 182 and name HG2%) (( segid " " and resid 182 and name HB )) 1.800 0.400 0.400 peak 10875 spectrum 1 weight 0.10000E+01 volume 0.28720E-01 ppm1 0.888 ppm2 1.961 CV 1 ASSI {10877} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HD2 )) 2.600 2.600 3.400 peak 10877 spectrum 1 weight 0.10000E+01 volume 0.25608E-02 ppm1 4.375 ppm2 3.767 CV 1 ASSI {10880} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB2 )) 1.900 0.400 0.400 peak 10880 spectrum 1 weight 0.10000E+01 volume 0.21222E-01 ppm1 4.371 ppm2 2.218 CV 1 ASSI {10882} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB1 )) 2.000 2.000 4.000 peak 10882 spectrum 1 weight 0.10000E+01 volume 0.13126E-01 ppm1 4.374 ppm2 1.810 CV 1 ASSI {10884} (( segid " " and resid 181 and name HG1 )) (( segid " " and resid 181 and name HA )) 2.200 0.600 0.600 peak 10884 spectrum 1 weight 0.10000E+01 volume 0.88451E-02 ppm1 1.946 ppm2 4.392 CV 1 ASSI {10886} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HN )) 3.200 1.300 1.300 peak 10886 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 0.515 ppm2 8.877 CV 1 ASSI {10888} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 181 and name HB2 )) 1.700 0.300 0.500 peak 10888 spectrum 1 weight 0.10000E+01 volume 0.41531E-01 ppm1 1.791 ppm2 2.218 CV 1 ASSI {10889} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 181 and name HD1 )) 2.400 0.700 0.700 peak 10889 spectrum 1 weight 0.10000E+01 volume 0.44262E-02 ppm1 1.792 ppm2 3.584 CV 1 ASSI {10890} (( segid " " and resid 181 and name HB1 )) (( segid " " and resid 181 and name HD2 )) 2.300 2.300 3.700 peak 10890 spectrum 1 weight 0.10000E+01 volume 0.60634E-02 ppm1 1.787 ppm2 3.780 CV 1 ASSI {10896} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 181 and name HD2 )) 2.300 2.300 3.700 peak 10896 spectrum 1 weight 0.10000E+01 volume 0.58859E-02 ppm1 2.200 ppm2 3.771 CV 1 ASSI {10897} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 181 and name HD1 )) 2.500 2.500 3.500 peak 10897 spectrum 1 weight 0.10000E+01 volume 0.32310E-02 ppm1 2.199 ppm2 3.578 CV 1 ASSI {10899} (( segid " " and resid 180 and name HG2 )) (( segid " " and resid 180 and name HA )) 2.000 2.000 4.000 peak 10899 spectrum 1 weight 0.10000E+01 volume 0.13318E-01 ppm1 1.995 ppm2 4.667 CV 1 ASSI {10901} (( segid " " and resid 179 and name HG1 )) (( segid " " and resid 179 and name HA )) 2.100 2.100 3.900 peak 10901 spectrum 1 weight 0.10000E+01 volume 0.98482E-02 ppm1 1.944 ppm2 4.674 CV 1 ASSI {10902} (( segid " " and resid 181 and name HG1 )) (( segid " " and resid 181 and name HD2 )) 1.800 0.400 0.400 peak 10902 spectrum 1 weight 0.10000E+01 volume 0.26333E-01 ppm1 1.946 ppm2 3.769 CV 1 OR {10902} (( segid " " and resid 181 and name HG2 )) (( segid " " and resid 181 and name HD2 )) ASSI {10903} (( segid " " and resid 181 and name HG2 )) (( segid " " and resid 181 and name HD1 )) 1.800 0.400 0.400 peak 10903 spectrum 1 weight 0.10000E+01 volume 0.25141E-01 ppm1 1.944 ppm2 3.566 CV 1 ASSI {10904} (( segid " " and resid 180 and name HG1 )) (( segid " " and resid 180 and name HD1 )) 1.900 0.400 0.400 peak 10904 spectrum 1 weight 0.10000E+01 volume 0.21443E-01 ppm1 1.995 ppm2 3.608 CV 1 ASSI {10905} (( segid " " and resid 180 and name HG2 )) (( segid " " and resid 180 and name HD2 )) 1.900 0.500 0.500 peak 10905 spectrum 1 weight 0.10000E+01 volume 0.17382E-01 ppm1 1.996 ppm2 3.844 CV 1 OR {10905} (( segid " " and resid 180 and name HG1 )) (( segid " " and resid 180 and name HD2 )) ASSI {10906} (( segid " " and resid 180 and name HG2 )) (( segid " " and resid 180 and name HB2 )) 1.800 0.400 0.400 peak 10906 spectrum 1 weight 0.10000E+01 volume 0.22424E-01 ppm1 1.998 ppm2 2.318 CV 1 OR {10906} (( segid " " and resid 180 and name HG1 )) (( segid " " and resid 180 and name HB2 )) ASSI {10914} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB2 )) 2.100 0.600 0.600 peak 10914 spectrum 1 weight 0.10000E+01 volume 0.95511E-02 ppm1 4.296 ppm2 1.890 CV 1 OR {10914} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB1 )) ASSI {10916} (( segid " " and resid 2 and name HA )) ( segid " " and resid 3 and name HB% ) 2.500 2.500 3.500 peak 10916 spectrum 1 weight 0.10000E+01 volume 0.38213E-02 ppm1 4.312 ppm2 1.398 CV 1 ASSI {10918} (( segid " " and resid 2 and name HA )) (( segid " " and resid 4 and name HG11)) 3.100 3.100 2.900 peak 10918 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 4.307 ppm2 1.059 CV 1 ASSI {10922} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HD2 )) 2.300 2.300 3.700 peak 10922 spectrum 1 weight 0.10000E+01 volume 0.60888E-02 ppm1 1.840 ppm2 3.818 CV 1 ASSI {10923} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HD1 )) 2.100 2.100 3.900 peak 10923 spectrum 1 weight 0.10000E+01 volume 0.11562E-01 ppm1 1.840 ppm2 3.593 CV 1 ASSI {10924} (( segid " " and resid 180 and name HB1 )) (( segid " " and resid 180 and name HB2 )) 1.600 0.300 0.600 peak 10924 spectrum 1 weight 0.10000E+01 volume 0.51945E-01 ppm1 1.840 ppm2 2.313 CV 1 ASSI {10927} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 117 and name HA )) 2.900 1.100 1.100 peak 10927 spectrum 1 weight 0.10000E+01 volume 0.14090E-02 ppm1 0.510 ppm2 3.771 CV 1 ASSI {10929} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 55 and name HD1%) 2.400 0.700 0.700 peak 10929 spectrum 1 weight 0.10000E+01 volume 0.50202E-02 ppm1 0.992 ppm2 0.566 CV 1 ASSI {10931} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 10931 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 0.997 ppm2 8.281 CV 1 ASSI {10933} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 10933 spectrum 1 weight 0.10000E+01 volume 0.20827E-02 ppm1 0.992 ppm2 4.033 CV 1 ASSI {10940} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 6 and name HB1 )) 2.700 2.700 3.300 peak 10940 spectrum 1 weight 0.10000E+01 volume 0.23073E-02 ppm1 0.803 ppm2 2.264 CV 1 ASSI {10943} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 191 and name HA )) 2.300 0.700 0.700 peak 10943 spectrum 1 weight 0.10000E+01 volume 0.56251E-02 ppm1 0.808 ppm2 4.267 CV 1 ASSI {10947} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 10947 spectrum 1 weight 0.10000E+01 volume 0.40133E-02 ppm1 0.772 ppm2 2.090 CV 1 ASSI {10953} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HB2 )) 2.100 0.600 0.600 peak 10953 spectrum 1 weight 0.10000E+01 volume 0.91204E-02 ppm1 1.411 ppm2 1.990 CV 1 OR {10953} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HB1 )) ASSI {10954} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HE1 )) 1.900 0.500 0.500 peak 10954 spectrum 1 weight 0.10000E+01 volume 0.16053E-01 ppm1 1.416 ppm2 2.898 CV 1 OR {10954} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HE2 )) ASSI {10956} (( segid " " and resid 132 and name HG1 )) (( segid " " and resid 132 and name HE1 )) 2.000 2.000 4.000 peak 10956 spectrum 1 weight 0.10000E+01 volume 0.15890E-01 ppm1 1.394 ppm2 2.925 CV 1 OR {10956} (( segid " " and resid 132 and name HG1 )) (( segid " " and resid 132 and name HE2 )) ASSI {10958} (( segid " " and resid 132 and name HD1 )) (( segid " " and resid 132 and name HA )) 2.400 2.400 3.600 peak 10958 spectrum 1 weight 0.10000E+01 volume 0.48391E-02 ppm1 1.648 ppm2 4.385 CV 1 ASSI {10961} (( segid " " and resid 49 and name HD1 )) (( segid " " and resid 49 and name HA )) 2.900 1.000 1.000 peak 10961 spectrum 1 weight 0.10000E+01 volume 0.16082E-02 ppm1 1.565 ppm2 4.797 CV 1 ASSI {10964} (( segid " " and resid 153 and name HE2 )) ( segid " " and resid 155 and name HD1%) 2.800 1.000 1.000 peak 10964 spectrum 1 weight 0.10000E+01 volume 0.19052E-02 ppm1 2.865 ppm2 0.558 CV 1 ASSI {10975} (( segid " " and resid 179 and name HD1 )) (( segid " " and resid 179 and name HG1 )) 1.900 0.500 0.500 peak 10975 spectrum 1 weight 0.10000E+01 volume 0.18716E-01 ppm1 3.480 ppm2 1.941 CV 1 OR {10975} (( segid " " and resid 179 and name HD2 )) (( segid " " and resid 179 and name HG2 )) OR {10975} (( segid " " and resid 179 and name HD1 )) (( segid " " and resid 179 and name HG2 )) ASSI {10981} (( segid " " and resid 1 and name HG1 )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 10981 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 2.314 ppm2 8.189 CV 1 ASSI {10982} (( segid " " and resid 181 and name HG1 )) (( segid " " and resid 182 and name HN )) 3.000 1.200 1.200 peak 10982 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 1.947 ppm2 8.116 CV 1 OR {10982} (( segid " " and resid 181 and name HG2 )) (( segid " " and resid 182 and name HN )) ASSI {10983} (( segid " " and resid 109 and name HG1 )) ( segid " " and resid 175 and name HB% ) 2.700 0.900 0.900 peak 10983 spectrum 1 weight 0.10000E+01 volume 0.20791E-02 ppm1 1.997 ppm2 1.327 CV 1 OR {10983} (( segid " " and resid 109 and name HG2 )) ( segid " " and resid 175 and name HB% ) ASSI {10985} (( segid " " and resid 180 and name HD2 )) (( segid " " and resid 180 and name HD1 )) 1.800 0.400 0.400 peak 10985 spectrum 1 weight 0.10000E+01 volume 0.22012E-01 ppm1 3.835 ppm2 3.609 CV 1 ASSI {10986} (( segid " " and resid 180 and name HD2 )) (( segid " " and resid 180 and name HB2 )) 2.300 2.300 3.700 peak 10986 spectrum 1 weight 0.10000E+01 volume 0.54657E-02 ppm1 3.837 ppm2 2.311 CV 1 ASSI {10990} (( segid " " and resid 179 and name HD2 )) (( segid " " and resid 179 and name HB2 )) 2.500 0.800 0.800 peak 10990 spectrum 1 weight 0.10000E+01 volume 0.40531E-02 ppm1 3.485 ppm2 2.300 CV 1 ASSI {11033} (( segid " " and resid 177 and name HB2 )) (( segid " " and resid 177 and name HA )) 3.000 1.200 1.200 peak 11033 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 1.560 ppm2 4.120 CV 1 ASSI {11042} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 168 and name HA )) 2.700 0.900 0.900 peak 11042 spectrum 1 weight 0.10000E+01 volume 0.20972E-02 ppm1 0.701 ppm2 3.057 CV 1 ASSI {11049} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 49 and name HE1 )) 2.900 2.900 3.100 peak 11049 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 0.670 ppm2 2.956 CV 1 OR {11049} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 49 and name HE2 )) ASSI {11068} ( segid " " and resid 177 and name HD1%) (( segid " " and resid 177 and name HG )) 2.100 0.500 0.500 peak 11068 spectrum 1 weight 0.10000E+01 volume 0.11775E-01 ppm1 0.676 ppm2 1.660 CV 1 ASSI {11072} (( segid " " and resid 176 and name HA )) (( segid " " and resid 177 and name HN )) 3.200 1.300 1.300 peak 11072 spectrum 1 weight 0.10000E+01 volume 0.74978E-03 ppm1 3.792 ppm2 8.111 CV 1 ASSI {11074} (( segid " " and resid 176 and name HA )) ( segid " " and resid 176 and name HG2%) 2.300 0.700 0.700 peak 11074 spectrum 1 weight 0.10000E+01 volume 0.59366E-02 ppm1 3.768 ppm2 0.888 CV 1 OR {11074} (( segid " " and resid 176 and name HA )) ( segid " " and resid 176 and name HG1%) ASSI {11077} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HG1 )) 2.700 0.900 0.900 peak 11077 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 2.079 ppm2 1.418 CV 1 OR {11077} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HG1 )) ASSI {11080} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 87 and name HB2 )) 2.800 1.000 1.000 peak 11080 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 0.862 ppm2 2.606 CV 1 ASSI {11081} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 76 and name HB1 )) 2.800 1.000 1.000 peak 11081 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 0.877 ppm2 2.657 CV 1 OR {11081} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 76 and name HB1 )) ASSI {11083} ( segid " " and resid 176 and name HG2%) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 11083 spectrum 1 weight 0.10000E+01 volume 0.17639E-02 ppm1 0.876 ppm2 4.695 CV 1 OR {11083} ( segid " " and resid 176 and name HG1%) (( segid " " and resid 76 and name HA )) ASSI {11092} ( segid " " and resid 144 and name HB% ) (( segid " " and resid 141 and name HG1 )) 2.700 2.700 3.300 peak 11092 spectrum 1 weight 0.10000E+01 volume 0.21335E-02 ppm1 1.368 ppm2 2.177 CV 1 ASSI {11093} ( segid " " and resid 88 and name HB% ) (( segid " " and resid 91 and name HG2 )) 2.700 0.900 0.900 peak 11093 spectrum 1 weight 0.10000E+01 volume 0.21153E-02 ppm1 1.381 ppm2 2.267 CV 1 OR {11093} ( segid " " and resid 88 and name HB% ) (( segid " " and resid 91 and name HG1 )) ASSI {11099} ( segid " " and resid 175 and name HB% ) (( segid " " and resid 109 and name HB2 )) 2.800 1.000 1.000 peak 11099 spectrum 1 weight 0.10000E+01 volume 0.20030E-02 ppm1 1.364 ppm2 2.320 CV 1 ASSI {11104} (( segid " " and resid 109 and name HD2 )) (( segid " " and resid 109 and name HG1 )) 3.100 1.200 1.200 peak 11104 spectrum 1 weight 0.10000E+01 volume 0.94897E-03 ppm1 4.179 ppm2 2.017 CV 1 OR {11104} (( segid " " and resid 109 and name HD2 )) (( segid " " and resid 109 and name HG2 )) ASSI {11105} (( segid " " and resid 166 and name HD1 )) (( segid " " and resid 166 and name HE1 )) 2.100 0.500 0.500 peak 11105 spectrum 1 weight 0.10000E+01 volume 0.11257E-01 ppm1 1.684 ppm2 3.078 CV 1 OR {11105} (( segid " " and resid 166 and name HD1 )) (( segid " " and resid 166 and name HE2 )) ASSI {11107} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HA )) 2.400 0.700 0.700 peak 11107 spectrum 1 weight 0.10000E+01 volume 0.42198E-02 ppm1 0.856 ppm2 3.451 CV 1 ASSI {11108} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 174 and name HN )) 3.200 1.300 1.300 peak 11108 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 0.815 ppm2 8.469 CV 1 ASSI {11110} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 163 and name HG1 )) 2.200 0.600 0.600 peak 11110 spectrum 1 weight 0.10000E+01 volume 0.76498E-02 ppm1 3.056 ppm2 1.459 CV 1 ASSI {11112} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 117 and name HB1 )) 3.000 1.100 1.100 peak 11112 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 3.053 ppm2 1.069 CV 1 ASSI {11113} (( segid " " and resid 163 and name HD1 )) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 11113 spectrum 1 weight 0.10000E+01 volume 0.43755E-02 ppm1 3.053 ppm2 0.492 CV 1 ASSI {11114} (( segid " " and resid 163 and name HD1 )) (( segid " " and resid 163 and name HA )) 2.900 1.100 1.100 peak 11114 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 3.061 ppm2 4.163 CV 1 ASSI {11116} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HB )) 3.000 1.100 1.100 peak 11116 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 3.416 ppm2 1.902 CV 1 ASSI {11117} (( segid " " and resid 126 and name HB )) (( segid " " and resid 123 and name HA )) 3.200 1.300 1.300 peak 11117 spectrum 1 weight 0.10000E+01 volume 0.86931E-03 ppm1 1.879 ppm2 3.829 CV 1 ASSI {11122} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HA )) 2.600 0.800 0.800 peak 11122 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 1.883 ppm2 4.318 CV 1 ASSI {11124} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 52 and name HN )) 2.900 2.900 3.100 peak 11124 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 1.883 ppm2 8.625 CV 1 ASSI {11130} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 46 and name HB )) 2.700 0.900 0.900 peak 11130 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 0.817 ppm2 1.769 CV 1 ASSI {11132} ( segid " " and resid 45 and name HE% ) (( segid " " and resid 48 and name HA2 )) 2.500 0.800 0.800 peak 11132 spectrum 1 weight 0.10000E+01 volume 0.38974E-02 ppm1 1.748 ppm2 4.055 CV 1 ASSI {11134} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG2 )) 2.900 1.000 1.000 peak 11134 spectrum 1 weight 0.10000E+01 volume 0.15394E-02 ppm1 2.156 ppm2 2.220 CV 1 OR {11134} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG2 )) ASSI {11136} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 173 and name HA )) 3.000 1.200 1.200 peak 11136 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 0.814 ppm2 3.410 CV 1 ASSI {11137} ( segid " " and resid 173 and name HD1%) (( segid " " and resid 170 and name HA )) 2.800 1.000 1.000 peak 11137 spectrum 1 weight 0.10000E+01 volume 0.18799E-02 ppm1 0.809 ppm2 4.296 CV 1 ASSI {11138} (( segid " " and resid 172 and name HA )) ( segid " " and resid 175 and name HB% ) 3.100 1.200 1.200 peak 11138 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 3.719 ppm2 1.386 CV 1 ASSI {11154} ( segid " " and resid 172 and name HB% ) ( segid " " and resid 79 and name HD2%) 2.400 0.700 0.700 peak 11154 spectrum 1 weight 0.10000E+01 volume 0.40929E-02 ppm1 1.235 ppm2 0.287 CV 1 ASSI {11156} ( segid " " and resid 172 and name HB% ) (( segid " " and resid 111 and name HB )) 2.900 1.000 1.000 peak 11156 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 1.229 ppm2 1.766 CV 1 ASSI {11162} ( segid " " and resid 172 and name HB% ) (( segid " " and resid 172 and name HA )) 2.400 0.700 0.700 peak 11162 spectrum 1 weight 0.10000E+01 volume 0.44660E-02 ppm1 1.232 ppm2 3.724 CV 1 ASSI {11166} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB1 )) 3.000 1.200 1.200 peak 11166 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 4.239 ppm2 2.503 CV 1 ASSI {11168} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 2.600 0.900 0.900 peak 11168 spectrum 1 weight 0.10000E+01 volume 0.27527E-02 ppm1 2.694 ppm2 4.318 CV 1 ASSI {11169} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 11169 spectrum 1 weight 0.10000E+01 volume 0.37488E-02 ppm1 2.557 ppm2 4.319 CV 1 ASSI {11170} (( segid " " and resid 169 and name HA )) ( segid " " and resid 172 and name HB% ) 2.900 1.100 1.100 peak 11170 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 3.675 ppm2 1.239 CV 1 ASSI {11193} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 11193 spectrum 1 weight 0.10000E+01 volume 0.96713E-03 ppm1 2.226 ppm2 5.484 CV 1 ASSI {11198} (( segid " " and resid 168 and name HB )) ( segid " " and resid 168 and name HG2%) 2.700 0.900 0.900 peak 11198 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 1.686 ppm2 0.742 CV 1 ASSI {11200} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HG )) 2.000 0.500 0.500 peak 11200 spectrum 1 weight 0.10000E+01 volume 0.15618E-01 ppm1 0.762 ppm2 1.710 CV 1 ASSI {11202} (( segid " " and resid 19 and name HG )) (( segid " " and resid 19 and name HB2 )) 3.200 1.200 1.200 peak 11202 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 1.711 ppm2 2.163 CV 1 ASSI {11208} (( segid " " and resid 168 and name HB )) ( segid " " and resid 113 and name HG2%) 3.200 1.300 1.300 peak 11208 spectrum 1 weight 0.10000E+01 volume 0.84395E-03 ppm1 1.676 ppm2 0.483 CV 1 ASSI {11213} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 172 and name HB% ) 2.800 0.900 0.900 peak 11213 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 -0.287 ppm2 1.229 CV 1 ASSI {11215} ( segid " " and resid 172 and name HB% ) ( segid " " and resid 169 and name HD% ) 3.300 1.300 1.300 peak 11215 spectrum 1 weight 0.10000E+01 volume 0.74615E-03 ppm1 1.227 ppm2 6.417 CV 1 ASSI {11218} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 165 and name HA )) 2.600 0.800 0.800 peak 11218 spectrum 1 weight 0.10000E+01 volume 0.30245E-02 ppm1 1.056 ppm2 3.744 CV 1 ASSI {11222} ( segid " " and resid 169 and name HD% ) ( segid " " and resid 168 and name HG1%) 3.200 1.300 1.300 peak 11222 spectrum 1 weight 0.10000E+01 volume 0.81860E-03 ppm1 6.447 ppm2 -0.259 CV 1 ASSI {11224} ( segid " " and resid 113 and name HG1%) ( segid " " and resid 168 and name HG2%) 2.200 0.600 0.600 peak 11224 spectrum 1 weight 0.10000E+01 volume 0.82583E-02 ppm1 0.356 ppm2 0.711 CV 1 ASSI {11225} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HB2 )) 3.100 1.200 1.200 peak 11225 spectrum 1 weight 0.10000E+01 volume 0.99972E-03 ppm1 3.823 ppm2 2.670 CV 1 ASSI {11226} (( segid " " and resid 167 and name HA )) ( segid " " and resid 167 and name HG2%) 2.700 0.900 0.900 peak 11226 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 3.816 ppm2 1.243 CV 1 ASSI {11230} (( segid " " and resid 167 and name HB )) ( segid " " and resid 155 and name HD2%) 3.200 1.300 1.300 peak 11230 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 3.813 ppm2 0.768 CV 1 ASSI {11232} ( segid " " and resid 167 and name HG2%) ( segid " " and resid 155 and name HD1%) 2.200 0.600 0.600 peak 11232 spectrum 1 weight 0.10000E+01 volume 0.74941E-02 ppm1 1.227 ppm2 0.594 CV 1 ASSI {11239} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 82 and name HB1 )) 3.100 1.200 1.200 peak 11239 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 1.228 ppm2 2.836 CV 1 ASSI {11240} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 82 and name HB2 )) 2.900 1.100 1.100 peak 11240 spectrum 1 weight 0.10000E+01 volume 0.13728E-02 ppm1 1.227 ppm2 3.072 CV 1 ASSI {11242} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 11242 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 1.226 ppm2 4.312 CV 1 ASSI {11244} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 168 and name HN )) 2.700 0.900 0.900 peak 11244 spectrum 1 weight 0.10000E+01 volume 0.22819E-02 ppm1 1.222 ppm2 7.073 CV 1 ASSI {11246} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 92 and name HN )) 3.300 1.300 1.300 peak 11246 spectrum 1 weight 0.10000E+01 volume 0.74615E-03 ppm1 1.224 ppm2 7.912 CV 1 ASSI {11249} ( segid " " and resid 167 and name HG2%) (( segid " " and resid 171 and name HN )) 2.900 1.000 1.000 peak 11249 spectrum 1 weight 0.10000E+01 volume 0.15793E-02 ppm1 1.228 ppm2 8.255 CV 1 ASSI {11251} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HE1 )) 2.500 0.800 0.800 peak 11251 spectrum 1 weight 0.10000E+01 volume 0.32671E-02 ppm1 1.959 ppm2 2.899 CV 1 OR {11251} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HE2 )) OR {11251} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HE1 )) ASSI {11252} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 131 and name HG2 )) 3.000 1.200 1.200 peak 11252 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 1.547 ppm2 2.540 CV 1 ASSI {11253} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HB2 )) 2.100 0.600 0.600 peak 11253 spectrum 1 weight 0.10000E+01 volume 0.94571E-02 ppm1 1.548 ppm2 1.974 CV 1 ASSI {11254} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HE1 )) 2.400 2.400 3.600 peak 11254 spectrum 1 weight 0.10000E+01 volume 0.44370E-02 ppm1 1.536 ppm2 3.078 CV 1 OR {11254} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HE2 )) ASSI {11255} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HA )) 2.300 0.600 0.600 peak 11255 spectrum 1 weight 0.10000E+01 volume 0.64003E-02 ppm1 1.552 ppm2 4.072 CV 1 ASSI {11256} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HA )) 2.400 0.700 0.700 peak 11256 spectrum 1 weight 0.10000E+01 volume 0.48718E-02 ppm1 1.591 ppm2 4.110 CV 1 ASSI {11258} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 11258 spectrum 1 weight 0.10000E+01 volume 0.27745E-02 ppm1 1.532 ppm2 4.393 CV 1 ASSI {11259} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 167 and name HN )) 3.000 1.100 1.100 peak 11259 spectrum 1 weight 0.10000E+01 volume 0.11301E-02 ppm1 1.530 ppm2 7.730 CV 1 ASSI {11261} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HE2 )) 2.300 0.600 0.600 peak 11261 spectrum 1 weight 0.10000E+01 volume 0.66357E-02 ppm1 1.679 ppm2 3.079 CV 1 OR {11261} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HE1 )) ASSI {11262} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HA )) 3.000 1.100 1.100 peak 11262 spectrum 1 weight 0.10000E+01 volume 0.11337E-02 ppm1 1.683 ppm2 4.056 CV 1 ASSI {11272} (( segid " " and resid 166 and name HD2 )) (( segid " " and resid 167 and name HN )) 3.100 3.100 2.900 peak 11272 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 1.757 ppm2 7.739 CV 1 ASSI {11584} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 169 and name HA )) 2.800 1.000 1.000 peak 11584 spectrum 1 weight 0.10000E+01 volume 0.18908E-02 ppm1 0.762 ppm2 3.720 CV 1 ASSI {11586} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 165 and name HD2%) 2.000 0.500 0.500 peak 11586 spectrum 1 weight 0.10000E+01 volume 0.12442E-01 ppm1 0.708 ppm2 1.060 CV 1 ASSI {11588} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 165 and name HN )) 3.300 1.400 1.400 peak 11588 spectrum 1 weight 0.10000E+01 volume 0.69182E-03 ppm1 1.168 ppm2 7.465 CV 1 ASSI {11590} (( segid " " and resid 165 and name HG )) ( segid " " and resid 165 and name HD2%) 2.500 0.800 0.800 peak 11590 spectrum 1 weight 0.10000E+01 volume 0.34410E-02 ppm1 1.632 ppm2 1.047 CV 1 ASSI {11595} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 162 and name HG1 )) 2.500 0.800 0.800 peak 11595 spectrum 1 weight 0.10000E+01 volume 0.35642E-02 ppm1 0.983 ppm2 1.982 CV 1 ASSI {11597} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 162 and name HG2 )) 2.700 0.900 0.900 peak 11597 spectrum 1 weight 0.10000E+01 volume 0.22819E-02 ppm1 0.981 ppm2 2.157 CV 1 ASSI {11599} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 157 and name HB1 )) 3.000 3.000 3.000 peak 11599 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 0.978 ppm2 2.319 CV 1 ASSI {11604} ( segid " " and resid 169 and name HE% ) ( segid " " and resid 165 and name HD1%) 3.000 1.100 1.100 peak 11604 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 6.599 ppm2 0.926 CV 1 ASSI {11606} ( segid " " and resid 165 and name HD1%) (( segid " " and resid 166 and name HN )) 3.100 1.200 1.200 peak 11606 spectrum 1 weight 0.10000E+01 volume 0.94534E-03 ppm1 0.979 ppm2 8.544 CV 1 ASSI {11612} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 165 and name HD2%) 3.000 3.000 3.000 peak 11612 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 1.718 ppm2 1.050 CV 1 ASSI {11613} (( segid " " and resid 19 and name HG )) ( segid " " and resid 165 and name HD2%) 3.000 1.200 1.200 peak 11613 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 1.720 ppm2 1.051 CV 1 ASSI {11615} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 19 and name HD2%) 2.600 0.800 0.800 peak 11615 spectrum 1 weight 0.10000E+01 volume 0.29919E-02 ppm1 1.700 ppm2 0.702 CV 1 ASSI {11618} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 162 and name HG2 )) 2.700 2.700 3.300 peak 11618 spectrum 1 weight 0.10000E+01 volume 0.22094E-02 ppm1 1.057 ppm2 2.149 CV 1 ASSI {11621} (( segid " " and resid 163 and name HB1 )) (( segid " " and resid 163 and name HD2 )) 3.000 1.100 1.100 peak 11621 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 1.568 ppm2 3.123 CV 1 ASSI {11628} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 153 and name HB1 )) 2.600 2.600 3.400 peak 11628 spectrum 1 weight 0.10000E+01 volume 0.30498E-02 ppm1 0.491 ppm2 1.570 CV 1 ASSI {11629} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HB )) 2.700 0.900 0.900 peak 11629 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 0.489 ppm2 1.773 CV 1 ASSI {11633} (( segid " " and resid 163 and name HD2 )) ( segid " " and resid 117 and name HD1%) 2.400 0.700 0.700 peak 11633 spectrum 1 weight 0.10000E+01 volume 0.44045E-02 ppm1 3.123 ppm2 0.485 CV 1 ASSI {11637} (( segid " " and resid 163 and name HD2 )) (( segid " " and resid 117 and name HB1 )) 2.700 0.900 0.900 peak 11637 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 3.125 ppm2 1.076 CV 1 ASSI {11641} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 118 and name HN )) 3.200 1.300 1.300 peak 11641 spectrum 1 weight 0.10000E+01 volume 0.84032E-03 ppm1 1.061 ppm2 8.507 CV 1 ASSI {11642} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 162 and name HG1 )) 3.000 1.100 1.100 peak 11642 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 2.203 ppm2 2.019 CV 1 ASSI {11643} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HB1 )) 3.000 3.000 3.000 peak 11643 spectrum 1 weight 0.10000E+01 volume 0.13112E-02 ppm1 2.577 ppm2 2.197 CV 1 ASSI {11645} (( segid " " and resid 162 and name HG2 )) (( segid " " and resid 162 and name HB2 )) 3.000 1.100 1.100 peak 11645 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 2.112 ppm2 2.574 CV 1 ASSI {11646} (( segid " " and resid 162 and name HG2 )) (( segid " " and resid 162 and name HA )) 3.000 1.100 1.100 peak 11646 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 2.131 ppm2 3.906 CV 1 ASSI {11647} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 2.900 1.000 1.000 peak 11647 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 4.189 ppm2 3.921 CV 1 OR {11647} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI {11648} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB )) 2.700 0.900 0.900 peak 11648 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 4.192 ppm2 4.415 CV 1 ASSI {11649} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 3.200 1.300 1.300 peak 11649 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 4.200 ppm2 8.075 CV 1 ASSI {11652} (( segid " " and resid 161 and name HB )) ( segid " " and resid 161 and name HG2%) 2.600 0.900 0.900 peak 11652 spectrum 1 weight 0.10000E+01 volume 0.25572E-02 ppm1 4.384 ppm2 1.089 CV 1 ASSI {11653} (( segid " " and resid 161 and name HB )) (( segid " " and resid 161 and name HG1 )) 3.200 1.300 1.300 peak 11653 spectrum 1 weight 0.10000E+01 volume 0.85482E-03 ppm1 4.384 ppm2 5.235 CV 1 ASSI {11656} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 162 and name HN )) 2.800 1.000 1.000 peak 11656 spectrum 1 weight 0.10000E+01 volume 0.16951E-02 ppm1 1.064 ppm2 7.364 CV 1 ASSI {11660} (( segid " " and resid 160 and name HA )) ( segid " " and resid 160 and name HD2%) 3.300 1.400 1.400 peak 11660 spectrum 1 weight 0.10000E+01 volume 0.68820E-03 ppm1 3.202 ppm2 0.464 CV 1 ASSI {11661} (( segid " " and resid 160 and name HB2 )) ( segid " " and resid 160 and name HD2%) 3.100 1.200 1.200 peak 11661 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.104 ppm2 0.479 CV 1 ASSI {11664} (( segid " " and resid 160 and name HG )) (( segid " " and resid 160 and name HB2 )) 2.400 0.700 0.700 peak 11664 spectrum 1 weight 0.10000E+01 volume 0.46471E-02 ppm1 0.776 ppm2 1.071 CV 1 ASSI {11665} (( segid " " and resid 160 and name HG )) (( segid " " and resid 160 and name HA )) 3.100 1.200 1.200 peak 11665 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 0.782 ppm2 3.210 CV 1 ASSI {11668} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 146 and name HN )) 3.000 1.100 1.100 peak 11668 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 0.783 ppm2 8.091 CV 1 ASSI {11670} ( segid " " and resid 165 and name HD2%) (( segid " " and resid 23 and name HB1 )) 3.000 1.100 1.100 peak 11670 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 1.057 ppm2 2.902 CV 1 ASSI {11672} ( segid " " and resid 160 and name HD1%) ( segid " " and resid 160 and name HD2%) 2.000 0.500 0.500 peak 11672 spectrum 1 weight 0.10000E+01 volume 0.13383E-01 ppm1 -0.104 ppm2 0.458 CV 1 ASSI {11673} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HG )) 2.200 0.600 0.600 peak 11673 spectrum 1 weight 0.10000E+01 volume 0.73383E-02 ppm1 -0.104 ppm2 0.790 CV 1 ASSI {11674} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HB2 )) 2.500 0.800 0.800 peak 11674 spectrum 1 weight 0.10000E+01 volume 0.36221E-02 ppm1 -0.105 ppm2 1.088 CV 1 ASSI {11677} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HA )) 2.500 0.800 0.800 peak 11677 spectrum 1 weight 0.10000E+01 volume 0.35750E-02 ppm1 -0.105 ppm2 3.222 CV 1 ASSI {11678} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 161 and name HN )) 3.200 1.300 1.300 peak 11678 spectrum 1 weight 0.10000E+01 volume 0.84032E-03 ppm1 -0.104 ppm2 8.052 CV 1 ASSI {11680} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 160 and name HB1 )) 3.000 1.100 1.100 peak 11680 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 0.436 ppm2 0.146 CV 1 ASSI {11681} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 160 and name HG )) 2.100 0.500 0.500 peak 11681 spectrum 1 weight 0.10000E+01 volume 0.10747E-01 ppm1 0.439 ppm2 0.790 CV 1 ASSI {11685} ( segid " " and resid 160 and name HD2%) (( segid " " and resid 161 and name HB )) 3.200 3.200 2.800 peak 11685 spectrum 1 weight 0.10000E+01 volume 0.86206E-03 ppm1 0.434 ppm2 4.359 CV 1 ASSI {11687} (( segid " " and resid 159 and name HA )) ( segid " " and resid 159 and name HB% ) 2.800 0.900 0.900 peak 11687 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 4.165 ppm2 1.712 CV 1 ASSI {11690} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 22 and name HB1 )) 2.700 0.900 0.900 peak 11690 spectrum 1 weight 0.10000E+01 volume 0.23037E-02 ppm1 1.702 ppm2 3.903 CV 1 OR {11690} ( segid " " and resid 159 and name HB% ) (( segid " " and resid 22 and name HB2 )) ASSI {11691} ( segid " " and resid 159 and name HB% ) ( segid " " and resid 19 and name HD2%) 2.600 0.900 0.900 peak 11691 spectrum 1 weight 0.10000E+01 volume 0.26550E-02 ppm1 1.703 ppm2 0.697 CV 1 ASSI {11693} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HB )) 2.100 0.500 0.500 peak 11693 spectrum 1 weight 0.10000E+01 volume 0.11123E-01 ppm1 0.713 ppm2 1.745 CV 1 ASSI {11696} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 135 and name HB )) 1.900 0.400 0.400 peak 11696 spectrum 1 weight 0.10000E+01 volume 0.21548E-01 ppm1 1.095 ppm2 4.133 CV 1 ASSI {11697} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HA )) 2.100 0.500 0.500 peak 11697 spectrum 1 weight 0.10000E+01 volume 0.10950E-01 ppm1 1.065 ppm2 4.206 CV 1 ASSI {11699} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 11699 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 2.274 ppm2 5.090 CV 1 ASSI {11700} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 11700 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 2.363 ppm2 2.681 CV 1 ASSI {11702} (( segid " " and resid 140 and name HD1 )) (( segid " " and resid 139 and name HN )) 3.200 1.200 1.200 peak 11702 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 3.091 ppm2 9.063 CV 1 ASSI {11703} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 43 and name HD22)) 3.100 3.100 2.900 peak 11703 spectrum 1 weight 0.10000E+01 volume 0.90190E-03 ppm1 2.353 ppm2 7.156 CV 1 ASSI {11704} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 2 and name HN )) 3.100 1.200 1.200 peak 11704 spectrum 1 weight 0.10000E+01 volume 0.91639E-03 ppm1 2.361 ppm2 8.207 CV 1 ASSI {11705} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 11705 spectrum 1 weight 0.10000E+01 volume 0.87655E-03 ppm1 2.368 ppm2 8.559 CV 1 ASSI {11709} (( segid " " and resid 112 and name HA )) (( segid " " and resid 81 and name HN )) 3.200 3.200 2.800 peak 11709 spectrum 1 weight 0.10000E+01 volume 0.82222E-03 ppm1 5.153 ppm2 8.888 CV 1 ASSI {11712} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 11712 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 1.750 ppm2 5.087 CV 1 ASSI {11714} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) 3.100 1.200 1.200 peak 11714 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 4.310 ppm2 1.589 CV 1 ASSI {11715} (( segid " " and resid 155 and name HA )) ( segid " " and resid 155 and name HD2%) 2.700 0.900 0.900 peak 11715 spectrum 1 weight 0.10000E+01 volume 0.21877E-02 ppm1 4.320 ppm2 0.804 CV 1 ASSI {11717} (( segid " " and resid 155 and name HB1 )) ( segid " " and resid 155 and name HD2%) 3.200 1.300 1.300 peak 11717 spectrum 1 weight 0.10000E+01 volume 0.85844E-03 ppm1 1.010 ppm2 0.777 CV 1 ASSI {11719} (( segid " " and resid 155 and name HB2 )) ( segid " " and resid 155 and name HD2%) 3.200 1.300 1.300 peak 11719 spectrum 1 weight 0.10000E+01 volume 0.76788E-03 ppm1 1.581 ppm2 0.794 CV 1 ASSI {11721} (( segid " " and resid 155 and name HG )) ( segid " " and resid 155 and name HD1%) 2.700 0.900 0.900 peak 11721 spectrum 1 weight 0.10000E+01 volume 0.21552E-02 ppm1 1.172 ppm2 0.604 CV 1 ASSI {11723} (( segid " " and resid 79 and name HG )) ( segid " " and resid 79 and name HD2%) 2.600 0.900 0.900 peak 11723 spectrum 1 weight 0.10000E+01 volume 0.27926E-02 ppm1 1.187 ppm2 0.278 CV 1 ASSI {11725} ( segid " " and resid 155 and name HD1%) ( segid " " and resid 79 and name HD2%) 3.200 3.200 2.800 peak 11725 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 0.580 ppm2 0.300 CV 1 ASSI {11726} ( segid " " and resid 155 and name HD1%) ( segid " " and resid 155 and name HD2%) 2.100 0.600 0.600 peak 11726 spectrum 1 weight 0.10000E+01 volume 0.90335E-02 ppm1 0.579 ppm2 0.785 CV 1 ASSI {11727} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HB1 )) 2.800 0.900 0.900 peak 11727 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 0.579 ppm2 1.019 CV 1 ASSI {11730} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 171 and name HG1 )) 3.000 1.100 1.100 peak 11730 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 0.582 ppm2 2.055 CV 1 ASSI {11731} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 171 and name HG2 )) 3.100 1.200 1.200 peak 11731 spectrum 1 weight 0.10000E+01 volume 0.97439E-03 ppm1 0.577 ppm2 2.431 CV 1 ASSI {11732} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HB1 )) 2.000 0.500 0.500 peak 11732 spectrum 1 weight 0.10000E+01 volume 0.12033E-01 ppm1 2.709 ppm2 2.441 CV 1 ASSI {11734} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 155 and name HA )) 3.000 1.100 1.100 peak 11734 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 0.577 ppm2 4.326 CV 1 ASSI {11735} ( segid " " and resid 155 and name HD1%) (( segid " " and resid 168 and name HN )) 3.300 1.300 1.300 peak 11735 spectrum 1 weight 0.10000E+01 volume 0.73891E-03 ppm1 0.575 ppm2 7.063 CV 1 ASSI {11743} (( segid " " and resid 154 and name HB2 )) ( segid " " and resid 112 and name HD1%) 2.800 1.000 1.000 peak 11743 spectrum 1 weight 0.10000E+01 volume 0.19125E-02 ppm1 2.707 ppm2 0.753 CV 1 ASSI {11745} (( segid " " and resid 119 and name HA )) ( segid " " and resid 85 and name HG1%) 3.100 1.200 1.200 peak 11745 spectrum 1 weight 0.10000E+01 volume 0.93816E-03 ppm1 4.417 ppm2 0.536 CV 1 ASSI {11746} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 112 and name HN )) 3.300 1.400 1.400 peak 11746 spectrum 1 weight 0.10000E+01 volume 0.69545E-03 ppm1 1.549 ppm2 8.297 CV 1 OR {11746} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 112 and name HN )) ASSI {11747} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HA )) 2.600 0.900 0.900 peak 11747 spectrum 1 weight 0.10000E+01 volume 0.25898E-02 ppm1 1.536 ppm2 4.426 CV 1 ASSI {11756} (( segid " " and resid 153 and name HG1 )) (( segid " " and resid 153 and name HA )) 2.800 1.000 1.000 peak 11756 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 1.274 ppm2 4.410 CV 1 ASSI {11757} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HA )) 2.300 0.700 0.700 peak 11757 spectrum 1 weight 0.10000E+01 volume 0.53354E-02 ppm1 1.311 ppm2 3.875 CV 1 OR {11757} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HA )) ASSI {11758} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 133 and name HB2 )) 2.300 0.600 0.600 peak 11758 spectrum 1 weight 0.10000E+01 volume 0.66248E-02 ppm1 1.296 ppm2 2.101 CV 1 OR {11758} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 133 and name HB2 )) ASSI {11759} (( segid " " and resid 153 and name HG1 )) (( segid " " and resid 153 and name HN )) 3.300 3.300 2.700 peak 11759 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 1.274 ppm2 7.068 CV 1 ASSI {11760} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HN )) 3.300 1.300 1.300 peak 11760 spectrum 1 weight 0.10000E+01 volume 0.70631E-03 ppm1 1.334 ppm2 7.066 CV 1 ASSI {11761} (( segid " " and resid 153 and name HG2 )) (( segid " " and resid 153 and name HA )) 2.600 0.900 0.900 peak 11761 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 1.331 ppm2 4.397 CV 1 ASSI {11763} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 154 and name HN )) 2.700 2.700 3.300 peak 11763 spectrum 1 weight 0.10000E+01 volume 0.20610E-02 ppm1 1.718 ppm2 8.058 CV 1 ASSI {11765} (( segid " " and resid 153 and name HD2 )) (( segid " " and resid 153 and name HA )) 2.600 2.600 3.400 peak 11765 spectrum 1 weight 0.10000E+01 volume 0.31041E-02 ppm1 1.717 ppm2 4.422 CV 1 ASSI {11769} (( segid " " and resid 153 and name HD2 )) ( segid " " and resid 111 and name HD1%) 2.700 0.900 0.900 peak 11769 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 1.711 ppm2 0.509 CV 1 ASSI {11771} (( segid " " and resid 153 and name HE1 )) (( segid " " and resid 153 and name HA )) 3.300 3.300 2.700 peak 11771 spectrum 1 weight 0.10000E+01 volume 0.73891E-03 ppm1 2.799 ppm2 4.413 CV 1 ASSI {11774} (( segid " " and resid 153 and name HE1 )) ( segid " " and resid 155 and name HD1%) 2.800 1.000 1.000 peak 11774 spectrum 1 weight 0.10000E+01 volume 0.16661E-02 ppm1 2.798 ppm2 0.557 CV 1 ASSI {11776} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB )) 2.400 0.700 0.700 peak 11776 spectrum 1 weight 0.10000E+01 volume 0.46580E-02 ppm1 3.832 ppm2 2.030 CV 1 ASSI {11784} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 152 and name HN )) 2.200 0.600 0.600 peak 11784 spectrum 1 weight 0.10000E+01 volume 0.83888E-02 ppm1 0.993 ppm2 9.059 CV 1 ASSI {11785} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 110 and name HN )) 2.400 0.700 0.700 peak 11785 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 0.994 ppm2 8.562 CV 1 ASSI {11787} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 175 and name HN )) 2.900 2.900 3.100 peak 11787 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.995 ppm2 7.800 CV 1 ASSI {11788} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 153 and name HN )) 2.300 2.300 3.700 peak 11788 spectrum 1 weight 0.10000E+01 volume 0.63205E-02 ppm1 0.995 ppm2 7.063 CV 1 ASSI {11790} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 109 and name HA )) 2.300 0.700 0.700 peak 11790 spectrum 1 weight 0.10000E+01 volume 0.61105E-02 ppm1 0.995 ppm2 4.439 CV 1 ASSI {11791} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 111 and name HA )) 2.400 2.400 3.600 peak 11791 spectrum 1 weight 0.10000E+01 volume 0.50058E-02 ppm1 0.995 ppm2 4.275 CV 1 ASSI {11792} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 175 and name HA )) 2.500 0.800 0.800 peak 11792 spectrum 1 weight 0.10000E+01 volume 0.39771E-02 ppm1 0.996 ppm2 3.993 CV 1 ASSI {11795} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 11795 spectrum 1 weight 0.10000E+01 volume 0.61068E-02 ppm1 0.993 ppm2 2.331 CV 1 ASSI {11797} ( segid " " and resid 152 and name HG1%) (( segid " " and resid 109 and name HB1 )) 2.200 0.600 0.600 peak 11797 spectrum 1 weight 0.10000E+01 volume 0.75195E-02 ppm1 0.994 ppm2 1.733 CV 1 ASSI {11798} ( segid " " and resid 152 and name HG1%) ( segid " " and resid 175 and name HB% ) 1.900 1.900 4.100 peak 11798 spectrum 1 weight 0.10000E+01 volume 0.19400E-01 ppm1 0.994 ppm2 1.356 CV 1 ASSI {11799} ( segid " " and resid 152 and name HG1%) ( segid " " and resid 111 and name HD1%) 1.900 1.900 4.100 peak 11799 spectrum 1 weight 0.10000E+01 volume 0.17332E-01 ppm1 0.993 ppm2 0.487 CV 1 ASSI {11801} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HA )) 3.200 1.300 1.300 peak 11801 spectrum 1 weight 0.10000E+01 volume 0.86568E-03 ppm1 1.715 ppm2 3.832 CV 1 ASSI {11802} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 11802 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 0.952 ppm2 4.860 CV 1 ASSI {11805} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) 2.300 0.700 0.700 peak 11805 spectrum 1 weight 0.10000E+01 volume 0.54222E-02 ppm1 0.953 ppm2 2.089 CV 1 ASSI {11811} (( segid " " and resid 151 and name HA )) ( segid " " and resid 112 and name HD1%) 3.000 3.000 3.000 peak 11811 spectrum 1 weight 0.10000E+01 volume 0.12750E-02 ppm1 4.248 ppm2 0.767 CV 1 ASSI {11812} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 2.500 0.800 0.800 peak 11812 spectrum 1 weight 0.10000E+01 volume 0.35170E-02 ppm1 0.745 ppm2 4.189 CV 1 ASSI {11813} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 151 and name HA )) 2.600 0.900 0.900 peak 11813 spectrum 1 weight 0.10000E+01 volume 0.26985E-02 ppm1 1.191 ppm2 4.290 CV 1 ASSI {11815} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.000 peak 11815 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 1.196 ppm2 3.589 CV 1 ASSI {11816} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 112 and name HB2 )) 2.900 1.100 1.100 peak 11816 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 1.195 ppm2 2.014 CV 1 ASSI {11817} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 112 and name HB1 )) 3.100 3.100 2.900 peak 11817 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 1.202 ppm2 1.580 CV 1 ASSI {11821} ( segid " " and resid 151 and name HB% ) ( segid " " and resid 149 and name HD1%) 2.400 0.700 0.700 peak 11821 spectrum 1 weight 0.10000E+01 volume 0.40821E-02 ppm1 1.193 ppm2 0.512 CV 1 ASSI {11825} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 86 and name HA )) 3.000 1.100 1.100 peak 11825 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 0.837 ppm2 5.086 CV 1 ASSI {11826} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 132 and name HN )) 2.600 2.600 3.400 peak 11826 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 0.860 ppm2 7.216 CV 1 ASSI {11831} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 11831 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.948 ppm2 4.979 CV 1 ASSI {11832} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 79 and name HB2 )) 2.600 2.600 3.400 peak 11832 spectrum 1 weight 0.10000E+01 volume 0.25790E-02 ppm1 0.948 ppm2 1.681 CV 1 ASSI {11835} (( segid " " and resid 149 and name HA )) ( segid " " and resid 149 and name HD1%) 2.900 2.900 3.100 peak 11835 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 3.557 ppm2 0.531 CV 1 ASSI {11838} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG2 )) 3.000 1.200 1.200 peak 11838 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 3.505 ppm2 1.357 CV 1 OR {11838} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HG1 )) ASSI {11839} (( segid " " and resid 149 and name HB )) ( segid " " and resid 149 and name HD1%) 3.200 1.200 1.200 peak 11839 spectrum 1 weight 0.10000E+01 volume 0.88741E-03 ppm1 0.875 ppm2 0.509 CV 1 ASSI {11843} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 11843 spectrum 1 weight 0.10000E+01 volume 0.96713E-03 ppm1 0.216 ppm2 4.006 CV 1 ASSI {11845} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 149 and name HA )) 2.500 0.800 0.800 peak 11845 spectrum 1 weight 0.10000E+01 volume 0.32636E-02 ppm1 0.217 ppm2 3.579 CV 1 ASSI {11848} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 94 and name HB1 )) 3.100 1.200 1.200 peak 11848 spectrum 1 weight 0.10000E+01 volume 0.96713E-03 ppm1 0.227 ppm2 1.661 CV 1 ASSI {11849} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 94 and name HG1 )) 2.900 1.000 1.000 peak 11849 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 0.212 ppm2 1.387 CV 1 OR {11849} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 94 and name HG2 )) ASSI {11850} ( segid " " and resid 149 and name HG2%) (( segid " " and resid 149 and name HG12)) 2.600 0.900 0.900 peak 11850 spectrum 1 weight 0.10000E+01 volume 0.26224E-02 ppm1 0.214 ppm2 1.223 CV 1 ASSI {11851} ( segid " " and resid 149 and name HG2%) ( segid " " and resid 145 and name HE% ) 2.400 0.700 0.700 peak 11851 spectrum 1 weight 0.10000E+01 volume 0.43864E-02 ppm1 0.215 ppm2 0.811 CV 1 ASSI {11859} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG2 )) 2.400 0.700 0.700 peak 11859 spectrum 1 weight 0.10000E+01 volume 0.44008E-02 ppm1 3.809 ppm2 2.098 CV 1 ASSI {11860} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 11860 spectrum 1 weight 0.10000E+01 volume 0.85119E-03 ppm1 2.112 ppm2 4.113 CV 1 ASSI {11862} (( segid " " and resid 148 and name HG2 )) ( segid " " and resid 149 and name HG2%) 2.900 1.100 1.100 peak 11862 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 2.121 ppm2 0.224 CV 1 ASSI {11864} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB1 )) 2.800 1.000 1.000 peak 11864 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 3.965 ppm2 3.006 CV 1 OR {11864} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) ASSI {11865} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HE2 )) 3.100 3.100 2.900 peak 11865 spectrum 1 weight 0.10000E+01 volume 0.10830E-02 ppm1 3.994 ppm2 2.896 CV 1 OR {11865} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HE1 )) ASSI {11870} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 140 and name HA )) 3.000 1.100 1.100 peak 11870 spectrum 1 weight 0.10000E+01 volume 0.13003E-02 ppm1 1.162 ppm2 3.988 CV 1 ASSI {11875} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 153 and name HN )) 3.000 1.100 1.100 peak 11875 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 1.383 ppm2 7.069 CV 1 ASSI {11876} ( segid " " and resid 88 and name HB% ) (( segid " " and resid 88 and name HA )) 2.100 0.500 0.500 peak 11876 spectrum 1 weight 0.10000E+01 volume 0.10569E-01 ppm1 1.383 ppm2 4.171 CV 1 ASSI {11877} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 146 and name HA )) 2.700 0.900 0.900 peak 11877 spectrum 1 weight 0.10000E+01 volume 0.24521E-02 ppm1 1.374 ppm2 3.600 CV 1 ASSI {11878} ( segid " " and resid 146 and name HB% ) (( segid " " and resid 143 and name HA )) 2.900 1.100 1.100 peak 11878 spectrum 1 weight 0.10000E+01 volume 0.14452E-02 ppm1 1.380 ppm2 3.413 CV 1 ASSI {11881} (( segid " " and resid 110 and name HB )) ( segid " " and resid 110 and name HG2%) 2.900 1.100 1.100 peak 11881 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 1.406 ppm2 0.752 CV 1 ASSI {11882} (( segid " " and resid 110 and name HB )) ( segid " " and resid 110 and name HD1%) 2.900 1.100 1.100 peak 11882 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 1.406 ppm2 0.831 CV 1 ASSI {11883} ( segid " " and resid 145 and name HE% ) ( segid " " and resid 149 and name HD1%) 3.000 1.100 1.100 peak 11883 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 0.762 ppm2 0.482 CV 1 ASSI {11884} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HB2 )) 2.700 0.900 0.900 peak 11884 spectrum 1 weight 0.10000E+01 volume 0.22276E-02 ppm1 3.951 ppm2 1.803 CV 1 ASSI {11886} ( segid " " and resid 175 and name HB% ) (( segid " " and resid 176 and name HN )) 2.700 0.900 0.900 peak 11886 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 1.356 ppm2 7.201 CV 1 ASSI {11891} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HB2 )) 2.600 0.800 0.800 peak 11891 spectrum 1 weight 0.10000E+01 volume 0.29194E-02 ppm1 1.162 ppm2 1.341 CV 1 ASSI {11892} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG )) 3.000 1.100 1.100 peak 11892 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.394 ppm2 1.231 CV 1 ASSI {11893} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HA )) 3.300 1.400 1.400 peak 11893 spectrum 1 weight 0.10000E+01 volume 0.69545E-03 ppm1 1.163 ppm2 3.427 CV 1 ASSI {11894} (( segid " " and resid 143 and name HB1 )) ( segid " " and resid 143 and name HD1%) 2.400 0.700 0.700 peak 11894 spectrum 1 weight 0.10000E+01 volume 0.49115E-02 ppm1 1.160 ppm2 0.875 CV 1 ASSI {11895} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 140 and name HA )) 3.000 1.100 1.100 peak 11895 spectrum 1 weight 0.10000E+01 volume 0.12170E-02 ppm1 1.325 ppm2 4.010 CV 1 ASSI {11896} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HA )) 3.100 1.200 1.200 peak 11896 spectrum 1 weight 0.10000E+01 volume 0.94170E-03 ppm1 1.334 ppm2 3.389 CV 1 ASSI {11897} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 143 and name HD2%) 2.300 0.700 0.700 peak 11897 spectrum 1 weight 0.10000E+01 volume 0.59294E-02 ppm1 1.342 ppm2 0.878 CV 1 OR {11897} (( segid " " and resid 143 and name HB2 )) ( segid " " and resid 143 and name HD1%) ASSI {11898} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HG )) 2.600 0.800 0.800 peak 11898 spectrum 1 weight 0.10000E+01 volume 0.29628E-02 ppm1 1.340 ppm2 1.235 CV 1 ASSI {11899} (( segid " " and resid 143 and name HG )) (( segid " " and resid 143 and name HN )) 2.800 2.800 3.200 peak 11899 spectrum 1 weight 0.10000E+01 volume 0.18400E-02 ppm1 1.247 ppm2 7.820 CV 1 ASSI {11901} (( segid " " and resid 143 and name HG )) ( segid " " and resid 143 and name HD1%) 2.100 0.500 0.500 peak 11901 spectrum 1 weight 0.10000E+01 volume 0.11048E-01 ppm1 1.248 ppm2 0.874 CV 1 OR {11901} (( segid " " and resid 143 and name HG )) ( segid " " and resid 143 and name HD2%) ASSI {11906} ( segid " " and resid 143 and name HD1%) ( segid " " and resid 154 and name HE% ) 2.800 2.800 3.200 peak 11906 spectrum 1 weight 0.10000E+01 volume 0.18074E-02 ppm1 0.858 ppm2 6.552 CV 1 OR {11906} ( segid " " and resid 143 and name HD2%) ( segid " " and resid 154 and name HE% ) ASSI {11908} ( segid " " and resid 143 and name HD2%) (( segid " " and resid 143 and name HA )) 2.200 0.600 0.600 peak 11908 spectrum 1 weight 0.10000E+01 volume 0.75231E-02 ppm1 0.852 ppm2 3.420 CV 1 ASSI {11910} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HN )) 2.900 1.100 1.100 peak 11910 spectrum 1 weight 0.10000E+01 volume 0.13475E-02 ppm1 3.882 ppm2 7.843 CV 1 ASSI {11911} (( segid " " and resid 141 and name HA )) ( segid " " and resid 144 and name HB% ) 2.600 0.800 0.800 peak 11911 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 3.920 ppm2 1.382 CV 1 ASSI {11912} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG1 )) 2.500 0.800 0.800 peak 11912 spectrum 1 weight 0.10000E+01 volume 0.32563E-02 ppm1 3.917 ppm2 2.180 CV 1 ASSI {11913} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB2 )) 2.600 0.800 0.800 peak 11913 spectrum 1 weight 0.10000E+01 volume 0.28687E-02 ppm1 4.368 ppm2 2.118 CV 1 OR {11913} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB1 )) ASSI {11914} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HB1 )) 2.400 0.700 0.700 peak 11914 spectrum 1 weight 0.10000E+01 volume 0.49478E-02 ppm1 2.082 ppm2 1.639 CV 1 ASSI {11920} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 138 and name HB )) 2.300 0.700 0.700 peak 11920 spectrum 1 weight 0.10000E+01 volume 0.52882E-02 ppm1 1.161 ppm2 4.474 CV 1 ASSI {11922} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HG2 )) 2.700 0.900 0.900 peak 11922 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 1.165 ppm2 2.214 CV 1 OR {11922} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HG1 )) ASSI {11923} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 141 and name HB2 )) 2.700 0.900 0.900 peak 11923 spectrum 1 weight 0.10000E+01 volume 0.22094E-02 ppm1 1.165 ppm2 2.070 CV 1 ASSI {11924} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 137 and name HD1%) 3.100 1.200 1.200 peak 11924 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 1.167 ppm2 0.390 CV 1 ASSI {11925} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 137 and name HG2%) 3.000 1.100 1.100 peak 11925 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 1.165 ppm2 0.138 CV 1 ASSI {11927} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG12)) 2.900 1.100 1.100 peak 11927 spectrum 1 weight 0.10000E+01 volume 0.13981E-02 ppm1 3.838 ppm2 1.170 CV 1 ASSI {11930} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 169 and name HE% ) 2.600 2.600 3.400 peak 11930 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 0.707 ppm2 6.584 CV 1 ASSI {11932} (( segid " " and resid 33 and name HG11)) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 11932 spectrum 1 weight 0.10000E+01 volume 0.12098E-02 ppm1 0.710 ppm2 4.182 CV 1 ASSI {11936} ( segid " " and resid 19 and name HD2%) ( segid " " and resid 165 and name HD1%) 2.500 2.500 3.500 peak 11936 spectrum 1 weight 0.10000E+01 volume 0.39083E-02 ppm1 0.709 ppm2 0.932 CV 1 ASSI {11937} (( segid " " and resid 137 and name HG11)) ( segid " " and resid 137 and name HD1%) 2.500 0.800 0.800 peak 11937 spectrum 1 weight 0.10000E+01 volume 0.39445E-02 ppm1 0.706 ppm2 0.388 CV 1 ASSI {11939} ( segid " " and resid 137 and name HG2%) ( segid " " and resid 82 and name HE% ) 3.000 1.100 1.100 peak 11939 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 0.127 ppm2 7.129 CV 1 ASSI {11940} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HA )) 2.800 1.000 1.000 peak 11940 spectrum 1 weight 0.10000E+01 volume 0.19414E-02 ppm1 0.122 ppm2 3.890 CV 1 ASSI {11941} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 141 and name HG2 )) 2.800 1.000 1.000 peak 11941 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 0.127 ppm2 2.209 CV 1 ASSI {11942} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HB )) 2.800 1.000 1.000 peak 11942 spectrum 1 weight 0.10000E+01 volume 0.17568E-02 ppm1 0.127 ppm2 1.929 CV 1 ASSI {11943} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 141 and name HB1 )) 3.000 1.100 1.100 peak 11943 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 0.123 ppm2 1.698 CV 1 ASSI {11944} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HG12)) 2.700 0.900 0.900 peak 11944 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 0.122 ppm2 1.177 CV 1 ASSI {11945} ( segid " " and resid 137 and name HG2%) ( segid " " and resid 84 and name HD2%) 2.900 1.000 1.000 peak 11945 spectrum 1 weight 0.10000E+01 volume 0.16191E-02 ppm1 0.122 ppm2 1.013 CV 1 ASSI {11948} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 78 and name HD% ) 2.900 1.000 1.000 peak 11948 spectrum 1 weight 0.10000E+01 volume 0.15358E-02 ppm1 1.264 ppm2 6.829 CV 1 ASSI {11949} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 11949 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 1.266 ppm2 4.479 CV 1 ASSI {11950} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HG11)) 3.000 1.200 1.200 peak 11950 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 0.126 ppm2 0.700 CV 1 ASSI {11952} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 11952 spectrum 1 weight 0.10000E+01 volume 0.38395E-02 ppm1 0.365 ppm2 4.258 CV 1 ASSI {11953} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HA )) 2.500 0.800 0.800 peak 11953 spectrum 1 weight 0.10000E+01 volume 0.36620E-02 ppm1 0.364 ppm2 3.892 CV 1 ASSI {11954} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 87 and name HB1 )) 2.900 1.100 1.100 peak 11954 spectrum 1 weight 0.10000E+01 volume 0.14742E-02 ppm1 0.364 ppm2 2.596 CV 1 ASSI {11955} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 141 and name HG2 )) 2.700 0.900 0.900 peak 11955 spectrum 1 weight 0.10000E+01 volume 0.24413E-02 ppm1 0.365 ppm2 2.242 CV 1 ASSI {11957} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 141 and name HB1 )) 2.900 2.900 3.100 peak 11957 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 0.362 ppm2 1.685 CV 1 ASSI {11958} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HG12)) 2.400 0.700 0.700 peak 11958 spectrum 1 weight 0.10000E+01 volume 0.51398E-02 ppm1 0.365 ppm2 1.176 CV 1 ASSI {11959} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HB )) 3.000 1.200 1.200 peak 11959 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 1.271 ppm2 4.227 CV 1 ASSI {11962} ( segid " " and resid 137 and name HD1%) ( segid " " and resid 137 and name HG2%) 2.300 0.700 0.700 peak 11962 spectrum 1 weight 0.10000E+01 volume 0.56287E-02 ppm1 0.364 ppm2 0.154 CV 1 ASSI {11963} (( segid " " and resid 135 and name HB )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 11963 spectrum 1 weight 0.10000E+01 volume 0.33541E-02 ppm1 4.112 ppm2 4.753 CV 1 ASSI {11968} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 135 and name HA )) 2.200 0.600 0.600 peak 11968 spectrum 1 weight 0.10000E+01 volume 0.80917E-02 ppm1 1.095 ppm2 4.752 CV 1 ASSI {11971} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 87 and name HG1 )) 2.600 2.600 3.400 peak 11971 spectrum 1 weight 0.10000E+01 volume 0.27999E-02 ppm1 1.091 ppm2 2.042 CV 1 ASSI {11973} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 129 and name HB2 )) 2.700 2.700 3.300 peak 11973 spectrum 1 weight 0.10000E+01 volume 0.25246E-02 ppm1 1.099 ppm2 1.806 CV 1 ASSI {11974} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 130 and name HD2 )) 2.200 0.600 0.600 peak 11974 spectrum 1 weight 0.10000E+01 volume 0.69545E-02 ppm1 1.094 ppm2 1.661 CV 1 ASSI {11975} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HA )) 2.800 1.000 1.000 peak 11975 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 0.851 ppm2 4.857 CV 1 ASSI {11977} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HE1 )) 2.700 0.900 0.900 peak 11977 spectrum 1 weight 0.10000E+01 volume 0.22746E-02 ppm1 0.849 ppm2 2.973 CV 1 ASSI {11978} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HN )) 2.700 2.700 3.300 peak 11978 spectrum 1 weight 0.10000E+01 volume 0.22058E-02 ppm1 0.850 ppm2 8.137 CV 1 ASSI {11979} ( segid " " and resid 134 and name HD2%) (( segid " " and resid 134 and name HA )) 2.200 0.600 0.600 peak 11979 spectrum 1 weight 0.10000E+01 volume 0.78455E-02 ppm1 0.858 ppm2 4.865 CV 1 ASSI {11982} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HE1 )) 3.100 1.200 1.200 peak 11982 spectrum 1 weight 0.10000E+01 volume 0.98156E-03 ppm1 3.841 ppm2 2.953 CV 1 OR {11982} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HE2 )) ASSI {11983} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.800 1.000 1.000 peak 11983 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 3.837 ppm2 2.103 CV 1 ASSI {11985} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 2.800 1.000 1.000 peak 11985 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 3.846 ppm2 1.928 CV 1 ASSI {11991} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HE1 )) 3.000 3.000 3.000 peak 11991 spectrum 1 weight 0.10000E+01 volume 0.13257E-02 ppm1 4.363 ppm2 2.950 CV 1 OR {11991} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HE2 )) ASSI {11993} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG1 )) 2.500 0.800 0.800 peak 11993 spectrum 1 weight 0.10000E+01 volume 0.38503E-02 ppm1 4.364 ppm2 1.422 CV 1 ASSI {11997} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HA )) 2.100 2.100 3.900 peak 11997 spectrum 1 weight 0.10000E+01 volume 0.89394E-02 ppm1 1.404 ppm2 4.122 CV 1 ASSI {12000} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 131 and name HG1 )) 2.900 2.900 3.100 peak 12000 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 1.555 ppm2 2.320 CV 1 ASSI {12003} (( segid " " and resid 132 and name HE1 )) (( segid " " and resid 132 and name HB1 )) 2.100 0.600 0.600 peak 12003 spectrum 1 weight 0.10000E+01 volume 0.95409E-02 ppm1 2.939 ppm2 2.132 CV 1 ASSI {12006} (( segid " " and resid 128 and name HA )) (( segid " " and resid 130 and name HN )) 3.000 1.100 1.100 peak 12006 spectrum 1 weight 0.10000E+01 volume 0.13149E-02 ppm1 4.052 ppm2 8.348 CV 1 ASSI {12007} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HG2 )) 2.400 2.400 3.600 peak 12007 spectrum 1 weight 0.10000E+01 volume 0.42089E-02 ppm1 4.041 ppm2 2.529 CV 1 ASSI {12008} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HG1 )) 2.300 2.300 3.700 peak 12008 spectrum 1 weight 0.10000E+01 volume 0.66900E-02 ppm1 4.042 ppm2 2.283 CV 1 ASSI {12009} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HE1 )) 2.900 2.900 3.100 peak 12009 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 4.045 ppm2 2.940 CV 1 OR {12009} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HE2 )) ASSI {12017} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HG2 )) 2.400 0.700 0.700 peak 12017 spectrum 1 weight 0.10000E+01 volume 0.41546E-02 ppm1 2.171 ppm2 2.530 CV 1 ASSI {12018} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HG1 )) 2.200 0.600 0.600 peak 12018 spectrum 1 weight 0.10000E+01 volume 0.79723E-02 ppm1 2.166 ppm2 2.281 CV 1 ASSI {12021} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 61 and name HA )) 2.800 1.000 1.000 peak 12021 spectrum 1 weight 0.10000E+01 volume 0.17893E-02 ppm1 2.262 ppm2 4.435 CV 1 ASSI {12022} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 124 and name HA )) 2.700 0.900 0.900 peak 12022 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 2.291 ppm2 4.312 CV 1 ASSI {12025} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 123 and name HE2 )) 2.500 0.800 0.800 peak 12025 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 2.287 ppm2 2.943 CV 1 OR {12025} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 123 and name HE1 )) ASSI {12030} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 12030 spectrum 1 weight 0.10000E+01 volume 0.16807E-02 ppm1 2.508 ppm2 8.342 CV 1 ASSI {12033} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 132 and name HE2 )) 3.100 1.200 1.200 peak 12033 spectrum 1 weight 0.10000E+01 volume 0.96713E-03 ppm1 2.512 ppm2 2.946 CV 1 OR {12033} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 132 and name HE1 )) ASSI {12034} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 131 and name HG1 )) 1.700 0.300 0.500 peak 12034 spectrum 1 weight 0.10000E+01 volume 0.42668E-01 ppm1 2.511 ppm2 2.300 CV 1 ASSI {12036} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 128 and name HB1 )) 3.000 3.000 3.000 peak 12036 spectrum 1 weight 0.10000E+01 volume 0.11989E-02 ppm1 2.518 ppm2 1.862 CV 1 ASSI {12039} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) 2.300 0.700 0.700 peak 12039 spectrum 1 weight 0.10000E+01 volume 0.54005E-02 ppm1 4.096 ppm2 1.989 CV 1 ASSI {12043} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) 2.200 0.600 0.600 peak 12043 spectrum 1 weight 0.10000E+01 volume 0.75086E-02 ppm1 1.958 ppm2 4.070 CV 1 ASSI {12048} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HE2 )) 2.200 0.600 0.600 peak 12048 spectrum 1 weight 0.10000E+01 volume 0.69834E-02 ppm1 1.601 ppm2 2.874 CV 1 OR {12048} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HE1 )) ASSI {12049} (( segid " " and resid 153 and name HE2 )) (( segid " " and resid 153 and name HA )) 3.000 3.000 3.000 peak 12049 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 2.857 ppm2 4.431 CV 1 ASSI {12050} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HB2 )) 2.200 0.600 0.600 peak 12050 spectrum 1 weight 0.10000E+01 volume 0.83598E-02 ppm1 1.588 ppm2 1.989 CV 1 OR {12050} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HB1 )) ASSI {12055} (( segid " " and resid 147 and name HE1 )) ( segid " " and resid 143 and name HD2%) 1.900 0.500 0.500 peak 12055 spectrum 1 weight 0.10000E+01 volume 0.17353E-01 ppm1 2.850 ppm2 0.868 CV 1 OR {12055} (( segid " " and resid 147 and name HE2 )) ( segid " " and resid 143 and name HD2%) ASSI {12058} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HD2%) 2.400 0.700 0.700 peak 12058 spectrum 1 weight 0.10000E+01 volume 0.48101E-02 ppm1 3.971 ppm2 0.790 CV 1 ASSI {12062} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD2%) 3.100 1.200 1.200 peak 12062 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 1.814 ppm2 0.787 CV 1 ASSI {12065} (( segid " " and resid 129 and name HG )) (( segid " " and resid 129 and name HA )) 2.900 1.000 1.000 peak 12065 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 1.751 ppm2 4.015 CV 1 ASSI {12067} (( segid " " and resid 129 and name HG )) (( segid " " and resid 85 and name HB )) 3.100 1.200 1.200 peak 12067 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.740 ppm2 2.361 CV 1 ASSI {12069} (( segid " " and resid 129 and name HG )) ( segid " " and resid 129 and name HD1%) 2.500 0.800 0.800 peak 12069 spectrum 1 weight 0.10000E+01 volume 0.33106E-02 ppm1 1.754 ppm2 0.631 CV 1 ASSI {12133} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 12133 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 0.613 ppm2 4.767 CV 1 ASSI {12147} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 85 and name HA )) 2.900 1.100 1.100 peak 12147 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 0.611 ppm2 4.352 CV 1 ASSI {12188} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HA )) 2.700 2.700 3.300 peak 12188 spectrum 1 weight 0.10000E+01 volume 0.23652E-02 ppm1 0.615 ppm2 4.005 CV 1 ASSI {12189} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 136 and name HD1 )) 2.900 1.000 1.000 peak 12189 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 0.622 ppm2 3.716 CV 1 ASSI {12217} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 85 and name HB )) 2.900 1.000 1.000 peak 12217 spectrum 1 weight 0.10000E+01 volume 0.14959E-02 ppm1 0.612 ppm2 2.410 CV 1 ASSI {12236} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 136 and name HG2 )) 2.900 1.000 1.000 peak 12236 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 0.616 ppm2 2.178 CV 1 OR {12236} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 136 and name HG1 )) ASSI {12263} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 134 and name HB2 )) 2.200 2.200 3.800 peak 12263 spectrum 1 weight 0.10000E+01 volume 0.70667E-02 ppm1 0.617 ppm2 1.628 CV 1 ASSI {12266} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 125 and name HG2%) 2.300 0.600 0.600 peak 12266 spectrum 1 weight 0.10000E+01 volume 0.62554E-02 ppm1 0.615 ppm2 1.156 CV 1 ASSI {12269} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 135 and name HN )) 2.500 2.500 3.500 peak 12269 spectrum 1 weight 0.10000E+01 volume 0.39771E-02 ppm1 0.749 ppm2 7.767 CV 1 ASSI {12270} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 132 and name HN )) 2.900 2.900 3.100 peak 12270 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 0.751 ppm2 7.201 CV 1 ASSI {12272} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 134 and name HA )) 2.900 2.900 3.100 peak 12272 spectrum 1 weight 0.10000E+01 volume 0.14706E-02 ppm1 0.748 ppm2 4.837 CV 1 ASSI {12293} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 126 and name HA )) 3.300 1.300 1.300 peak 12293 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 0.746 ppm2 3.466 CV 1 ASSI {12305} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 132 and name HE2 )) 2.800 1.000 1.000 peak 12305 spectrum 1 weight 0.10000E+01 volume 0.18002E-02 ppm1 0.752 ppm2 2.948 CV 1 OR {12305} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 132 and name HE1 )) ASSI {12307} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG1 )) 2.500 2.500 3.500 peak 12307 spectrum 1 weight 0.10000E+01 volume 0.38249E-02 ppm1 4.043 ppm2 1.467 CV 1 ASSI {12315} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 12315 spectrum 1 weight 0.10000E+01 volume 0.37743E-02 ppm1 1.855 ppm2 4.070 CV 1 ASSI {12317} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) 2.500 0.800 0.800 peak 12317 spectrum 1 weight 0.10000E+01 volume 0.40314E-02 ppm1 1.853 ppm2 3.803 CV 1 ASSI {12318} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HE1 )) 2.700 2.700 3.300 peak 12318 spectrum 1 weight 0.10000E+01 volume 0.24884E-02 ppm1 1.847 ppm2 2.927 CV 1 OR {12318} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HE2 )) ASSI {12320} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 131 and name HG2 )) 2.900 1.000 1.000 peak 12320 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 1.972 ppm2 2.541 CV 1 ASSI {12321} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HN )) 3.000 1.100 1.100 peak 12321 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 3.952 ppm2 8.024 CV 1 ASSI {12324} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 2.400 0.700 0.700 peak 12324 spectrum 1 weight 0.10000E+01 volume 0.52122E-02 ppm1 3.958 ppm2 2.087 CV 1 ASSI {12325} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.400 0.700 0.700 peak 12325 spectrum 1 weight 0.10000E+01 volume 0.44154E-02 ppm1 3.958 ppm2 1.640 CV 1 ASSI {12329} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 124 and name HA )) 2.800 0.900 0.900 peak 12329 spectrum 1 weight 0.10000E+01 volume 0.20284E-02 ppm1 2.081 ppm2 4.300 CV 1 ASSI {12331} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 124 and name HA )) 2.800 1.000 1.000 peak 12331 spectrum 1 weight 0.10000E+01 volume 0.18799E-02 ppm1 2.363 ppm2 4.317 CV 1 ASSI {12332} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 128 and name HN )) 2.700 2.700 3.300 peak 12332 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 2.367 ppm2 8.007 CV 1 ASSI {12333} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HA )) 2.300 0.700 0.700 peak 12333 spectrum 1 weight 0.10000E+01 volume 0.53064E-02 ppm1 2.363 ppm2 3.981 CV 1 ASSI {12334} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 123 and name HE2 )) 2.700 0.900 0.900 peak 12334 spectrum 1 weight 0.10000E+01 volume 0.24811E-02 ppm1 2.359 ppm2 2.932 CV 1 OR {12334} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 123 and name HE1 )) ASSI {12335} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB2 )) 1.900 1.900 4.100 peak 12335 spectrum 1 weight 0.10000E+01 volume 0.18364E-01 ppm1 2.364 ppm2 2.102 CV 1 ASSI {12341} (( segid " " and resid 126 and name HG11)) (( segid " " and resid 126 and name HG12)) 2.900 2.900 3.100 peak 12341 spectrum 1 weight 0.10000E+01 volume 0.16335E-02 ppm1 0.943 ppm2 1.612 CV 1 ASSI {12343} (( segid " " and resid 126 and name HG11)) ( segid " " and resid 126 and name HD1%) 2.700 0.900 0.900 peak 12343 spectrum 1 weight 0.10000E+01 volume 0.22855E-02 ppm1 0.938 ppm2 0.763 CV 1 ASSI {12344} (( segid " " and resid 126 and name HG11)) (( segid " " and resid 126 and name HB )) 3.200 1.300 1.300 peak 12344 spectrum 1 weight 0.10000E+01 volume 0.80048E-03 ppm1 0.947 ppm2 1.910 CV 1 ASSI {12345} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 135 and name HA )) 3.100 3.100 2.900 peak 12345 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 0.862 ppm2 4.746 CV 1 ASSI {12348} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 123 and name HA )) 2.600 0.900 0.900 peak 12348 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 0.852 ppm2 3.808 CV 1 ASSI {12355} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 122 and name HN )) 2.900 1.000 1.000 peak 12355 spectrum 1 weight 0.10000E+01 volume 0.14995E-02 ppm1 0.737 ppm2 7.173 CV 1 ASSI {12356} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 121 and name HA )) 2.300 0.600 0.600 peak 12356 spectrum 1 weight 0.10000E+01 volume 0.67045E-02 ppm1 0.739 ppm2 4.765 CV 1 ASSI {12357} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 123 and name HA )) 2.300 0.700 0.700 peak 12357 spectrum 1 weight 0.10000E+01 volume 0.57121E-02 ppm1 0.738 ppm2 3.814 CV 1 ASSI {12358} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HA )) 2.500 0.800 0.800 peak 12358 spectrum 1 weight 0.10000E+01 volume 0.35931E-02 ppm1 0.739 ppm2 3.452 CV 1 ASSI {12362} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HB )) 2.200 0.600 0.600 peak 12362 spectrum 1 weight 0.10000E+01 volume 0.82366E-02 ppm1 0.739 ppm2 1.896 CV 1 ASSI {12363} ( segid " " and resid 126 and name HD1%) (( segid " " and resid 126 and name HG12)) 2.000 0.500 0.500 peak 12363 spectrum 1 weight 0.10000E+01 volume 0.13569E-01 ppm1 0.740 ppm2 1.621 CV 1 ASSI {12364} ( segid " " and resid 126 and name HD1%) ( segid " " and resid 125 and name HG2%) 2.500 2.500 3.500 peak 12364 spectrum 1 weight 0.10000E+01 volume 0.40278E-02 ppm1 0.746 ppm2 1.187 CV 1 ASSI {12366} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.000 1.100 1.100 peak 12366 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 3.760 ppm2 1.982 CV 1 ASSI {12367} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HB1 )) 3.300 1.300 1.300 peak 12367 spectrum 1 weight 0.10000E+01 volume 0.73166E-03 ppm1 3.761 ppm2 1.865 CV 1 ASSI {12368} (( segid " " and resid 125 and name HA )) (( segid " " and resid 128 and name HG2 )) 3.000 1.100 1.100 peak 12368 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 3.756 ppm2 1.595 CV 1 ASSI {12374} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 12374 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 1.162 ppm2 3.785 CV 1 ASSI {12375} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 85 and name HB )) 2.900 1.000 1.000 peak 12375 spectrum 1 weight 0.10000E+01 volume 0.16408E-02 ppm1 1.157 ppm2 2.395 CV 1 ASSI {12383} (( segid " " and resid 124 and name HA )) (( segid " " and resid 127 and name HB1 )) 3.000 1.100 1.100 peak 12383 spectrum 1 weight 0.10000E+01 volume 0.13184E-02 ppm1 4.300 ppm2 1.640 CV 1 ASSI {12384} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 12384 spectrum 1 weight 0.10000E+01 volume 0.95623E-03 ppm1 2.557 ppm2 7.991 CV 1 ASSI {12389} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HD1 )) 2.800 0.900 0.900 peak 12389 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 3.797 ppm2 1.644 CV 1 ASSI {12390} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HG2 )) 2.800 1.000 1.000 peak 12390 spectrum 1 weight 0.10000E+01 volume 0.18653E-02 ppm1 3.804 ppm2 1.480 CV 1 ASSI {12396} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 124 and name HN )) 2.700 0.900 0.900 peak 12396 spectrum 1 weight 0.10000E+01 volume 0.22385E-02 ppm1 1.333 ppm2 8.428 CV 1 ASSI {12398} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) 2.600 0.900 0.900 peak 12398 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 1.313 ppm2 4.805 CV 1 OR {12398} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HA )) ASSI {12402} (( segid " " and resid 120 and name HA )) ( segid " " and resid 126 and name HD1%) 3.000 1.100 1.100 peak 12402 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 3.508 ppm2 0.733 CV 1 ASSI {12403} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 179 and name HD2 )) 3.000 3.000 3.000 peak 12403 spectrum 1 weight 0.10000E+01 volume 0.11482E-02 ppm1 0.664 ppm2 3.455 CV 1 OR {12403} ( segid " " and resid 177 and name HD2%) (( segid " " and resid 179 and name HD1 )) ASSI {12406} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 61 and name HD2%) 3.100 1.200 1.200 peak 12406 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 1.808 ppm2 1.059 CV 1 ASSI {12407} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HA )) 2.500 2.500 3.500 peak 12407 spectrum 1 weight 0.10000E+01 volume 0.35388E-02 ppm1 0.654 ppm2 4.452 CV 1 ASSI {12408} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 122 and name HB1 )) 2.900 2.900 3.100 peak 12408 spectrum 1 weight 0.10000E+01 volume 0.13945E-02 ppm1 0.656 ppm2 2.663 CV 1 ASSI {12413} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 95 and name HN )) 3.000 1.100 1.100 peak 12413 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 1.365 ppm2 7.822 CV 1 OR {12413} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 95 and name HN )) ASSI {12414} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HD2 )) 2.800 0.900 0.900 peak 12414 spectrum 1 weight 0.10000E+01 volume 0.20066E-02 ppm1 1.360 ppm2 3.108 CV 1 OR {12414} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HD2 )) ASSI {12416} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 88 and name HB% ) 2.800 1.000 1.000 peak 12416 spectrum 1 weight 0.10000E+01 volume 0.19958E-02 ppm1 2.020 ppm2 1.371 CV 1 ASSI {12418} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HA )) 2.800 1.000 1.000 peak 12418 spectrum 1 weight 0.10000E+01 volume 0.17169E-02 ppm1 0.473 ppm2 3.784 CV 1 ASSI {12421} ( segid " " and resid 117 and name HD1%) (( segid " " and resid 117 and name HG )) 2.400 0.700 0.700 peak 12421 spectrum 1 weight 0.10000E+01 volume 0.44262E-02 ppm1 0.472 ppm2 1.383 CV 1 ASSI {12422} ( segid " " and resid 117 and name HD1%) ( segid " " and resid 117 and name HD2%) 2.200 0.600 0.600 peak 12422 spectrum 1 weight 0.10000E+01 volume 0.85880E-02 ppm1 0.476 ppm2 0.719 CV 1 ASSI {12425} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 157 and name HA )) 3.100 1.200 1.200 peak 12425 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 0.704 ppm2 5.167 CV 1 ASSI {12426} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HA )) 2.600 0.800 0.800 peak 12426 spectrum 1 weight 0.10000E+01 volume 0.29991E-02 ppm1 0.705 ppm2 3.788 CV 1 ASSI {12428} ( segid " " and resid 117 and name HD2%) (( segid " " and resid 117 and name HG )) 2.300 0.700 0.700 peak 12428 spectrum 1 weight 0.10000E+01 volume 0.52702E-02 ppm1 0.705 ppm2 1.387 CV 1 ASSI {12430} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 155 and name HD2%) 2.300 0.600 0.600 peak 12430 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 0.490 ppm2 0.778 CV 1 ASSI {12432} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 81 and name HG )) 3.200 1.300 1.300 peak 12432 spectrum 1 weight 0.10000E+01 volume 0.82946E-03 ppm1 0.590 ppm2 1.405 CV 1 ASSI {12433} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 157 and name HG )) 2.900 1.100 1.100 peak 12433 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 0.587 ppm2 1.184 CV 1 ASSI {12434} ( segid " " and resid 115 and name HG2%) ( segid " " and resid 113 and name HG1%) 2.700 0.900 0.900 peak 12434 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 0.587 ppm2 0.347 CV 1
Contact the webmaster for help, if required. Thursday, May 2, 2024 10:02:57 PM GMT (wattos1)