NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
16278 | 1zwt | 6003 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 28} (( segid " " and resid 131 and name HN )) (( segid " " and resid 109 and name HB1 )) 4.800 2.900 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.27251E-03 ppm1 9.631 ppm2 2.812 CV 1 OR { 28} (( segid " " and resid 131 and name HN )) (( segid " " and resid 122 and name HB2 )) ASSI { 78} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HG2%) 3.000 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.34754E-02 ppm1 9.177 ppm2 1.074 CV 1 OR { 78} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD1%) ASSI { 87} (( segid " " and resid 102 and name HN )) ( segid " " and resid 134 and name HB% ) 3.700 1.700 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.11122E-02 ppm1 8.819 ppm2 1.096 CV 1 OR { 87} (( segid " " and resid 102 and name HN )) ( segid " " and resid 106 and name HB% ) ASSI { 132} (( segid " " and resid 63 and name HN )) ( segid " " and resid 155 and name HE% ) 4.200 2.200 1.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.57580E-03 ppm1 9.040 ppm2 6.730 CV 1 OR { 132} (( segid " " and resid 63 and name HN )) ( segid " " and resid 83 and name HD% ) ASSI { 138} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HA )) 5.000 3.200 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19060E-03 ppm1 8.676 ppm2 3.978 CV 1 OR { 138} (( segid " " and resid 135 and name HN )) (( segid " " and resid 139 and name HA )) ASSI { 142} (( segid " " and resid 135 and name HN )) (( segid " " and resid 131 and name HG1 )) 3.500 1.500 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.61120E-03 ppm1 8.677 ppm2 1.441 CV 1 OR { 142} (( segid " " and resid 135 and name HN )) ( segid " " and resid 140 and name HB% ) OR { 142} (( segid " " and resid 135 and name HN )) ( segid " " and resid 126 and name HB% ) ASSI { 182} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 4.300 2.300 1.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.60307E-03 ppm1 9.527 ppm2 8.184 CV 1 OR { 182} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 242} (( segid " " and resid 90 and name HN )) (( segid " " and resid 94 and name HA )) 5.200 3.400 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.37194E-03 ppm1 8.372 ppm2 3.847 CV 1 OR { 242} (( segid " " and resid 90 and name HN )) (( segid " " and resid 96 and name HB1 )) OR { 242} (( segid " " and resid 90 and name HN )) (( segid " " and resid 96 and name HB2 )) ASSI { 267} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD2%) 3.000 3.000 3.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.74471E-03 ppm1 7.472 ppm2 0.151 CV 1 OR { 267} (( segid " " and resid 39 and name HN )) ( segid " " and resid 74 and name HB% ) ASSI { 288} (( segid " " and resid 157 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.600 2.700 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.24133E-03 ppm1 9.166 ppm2 1.089 CV 1 OR { 288} (( segid " " and resid 157 and name HN )) ( segid " " and resid 106 and name HB% ) ASSI { 308} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.600 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.56746E-02 ppm1 8.681 ppm2 3.989 CV 1 OR { 308} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) OR { 308} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 318} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.46664E-02 ppm1 8.091 ppm2 4.220 CV 1 OR { 318} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 330} (( segid " " and resid 116 and name HN )) ( segid " " and resid 83 and name HD% ) 4.900 3.000 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.35467E-03 ppm1 10.654 ppm2 6.779 CV 1 OR { 330} (( segid " " and resid 116 and name HN )) ( segid " " and resid 156 and name HD% ) OR { 330} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HD22)) ASSI { 336} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA1 )) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.25983E-02 ppm1 10.655 ppm2 3.672 CV 1 OR { 336} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) ASSI { 348} (( segid " " and resid 111 and name HN )) (( segid " " and resid 129 and name HN )) 3.500 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.91784E-03 ppm1 8.902 ppm2 7.620 CV 1 OR { 348} (( segid " " and resid 111 and name HN )) (( segid " " and resid 127 and name HN )) ASSI { 350} (( segid " " and resid 111 and name HN )) (( segid " " and resid 131 and name HD1 )) 3.800 1.800 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.20396E-02 ppm1 8.903 ppm2 1.401 CV 1 OR { 350} (( segid " " and resid 111 and name HN )) ( segid " " and resid 126 and name HB% ) OR { 350} (( segid " " and resid 111 and name HN )) (( segid " " and resid 131 and name HG2 )) ASSI { 367} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.800 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.37114E-02 ppm1 8.162 ppm2 4.059 CV 1 OR { 367} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) OR { 367} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 369} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.900 1.900 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 8.163 ppm2 2.209 CV 1 OR { 369} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HB2 )) OR { 369} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 377} (( segid " " and resid 140 and name HN )) ( segid " " and resid 99 and name HG2%) 2.700 2.700 3.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.65437E-03 ppm1 8.790 ppm2 1.027 CV 1 OR { 377} (( segid " " and resid 140 and name HN )) ( segid " " and resid 134 and name HB% ) ASSI { 382} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 3.100 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.17151E-02 ppm1 8.789 ppm2 3.982 CV 1 OR { 382} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HA )) ASSI { 398} (( segid " " and resid 106 and name HN )) (( segid " " and resid 158 and name HE1 )) 4.900 3.000 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.22687E-03 ppm1 7.283 ppm2 2.815 CV 1 OR { 398} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HE2 )) OR { 398} (( segid " " and resid 106 and name HN )) (( segid " " and resid 109 and name HB1 )) OR { 398} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HE1 )) ASSI { 432} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.100 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.11501E-01 ppm1 8.278 ppm2 3.718 CV 1 OR { 432} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 437} (( segid " " and resid 119 and name HN )) ( segid " " and resid 156 and name HD% ) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.46449E-03 ppm1 7.148 ppm2 6.811 CV 1 OR { 437} (( segid " " and resid 119 and name HN )) ( segid " " and resid 122 and name HD% ) ASSI { 438} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 4.300 2.300 1.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.70541E-03 ppm1 7.145 ppm2 8.386 CV 1 OR { 438} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) ASSI { 453} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.32150E-02 ppm1 8.884 ppm2 7.624 CV 1 OR { 453} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) ASSI { 468} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.300 0.600 0.600 peak 468 spectrum 1 weight 0.10000E+01 volume 0.46042E-02 ppm1 8.810 ppm2 4.568 CV 1 OR { 468} (( segid " " and resid 62 and name HN )) (( segid " " and resid 154 and name HB )) ASSI { 484} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HA )) 4.900 3.000 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22859E-03 ppm1 8.465 ppm2 4.925 CV 1 OR { 484} (( segid " " and resid 122 and name HN )) (( segid " " and resid 130 and name HA )) OR { 484} (( segid " " and resid 156 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 487} (( segid " " and resid 156 and name HN )) ( segid " " and resid 119 and name HG2%) 4.300 2.300 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.29881E-03 ppm1 8.460 ppm2 0.532 CV 1 OR { 487} (( segid " " and resid 156 and name HN )) ( segid " " and resid 102 and name HD2%) OR { 487} (( segid " " and resid 122 and name HN )) ( segid " " and resid 119 and name HG2%) ASSI { 490} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.11184E-01 ppm1 8.419 ppm2 4.553 CV 1 OR { 490} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 494} (( segid " " and resid 122 and name HN )) ( segid " " and resid 130 and name HB% ) 4.800 2.900 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.20704E-03 ppm1 8.421 ppm2 0.555 CV 1 OR { 494} (( segid " " and resid 156 and name HN )) ( segid " " and resid 119 and name HG2%) ASSI { 552} (( segid " " and resid 112 and name HN )) (( segid " " and resid 150 and name HA )) 4.400 2.400 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.74064E-03 ppm1 9.129 ppm2 4.590 CV 1 OR { 552} (( segid " " and resid 112 and name HN )) (( segid " " and resid 61 and name HA )) OR { 552} (( segid " " and resid 112 and name HN )) (( segid " " and resid 154 and name HB )) ASSI { 605} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HD22)) 5.800 4.200 0.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.18391E-03 ppm1 8.180 ppm2 7.120 CV 1 OR { 605} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HD22)) ASSI { 612} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.23341E-02 ppm1 8.175 ppm2 0.920 CV 1 OR { 612} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG2%) ASSI { 616} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.300 0.600 0.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.68725E-02 ppm1 8.148 ppm2 8.388 CV 1 OR { 616} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) ASSI { 618} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.49055E-02 ppm1 8.148 ppm2 4.046 CV 1 OR { 618} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) OR { 618} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 625} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.600 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.46735E-02 ppm1 7.907 ppm2 4.061 CV 1 OR { 625} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 643} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.46859E-03 ppm1 6.984 ppm2 4.582 CV 1 OR { 643} (( segid " " and resid 74 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 652} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HD21)) 3.900 1.900 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.37618E-03 ppm1 8.616 ppm2 7.600 CV 1 OR { 652} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HD21)) ASSI { 661} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 3.700 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.89807E-03 ppm1 8.602 ppm2 3.807 CV 1 OR { 661} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 663} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.31339E-02 ppm1 8.602 ppm2 3.426 CV 1 OR { 663} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) ASSI { 666} (( segid " " and resid 95 and name HN )) ( segid " " and resid 92 and name HB% ) 2.400 2.400 3.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.11696E-02 ppm1 8.601 ppm2 1.410 CV 1 OR { 666} (( segid " " and resid 95 and name HN )) (( segid " " and resid 91 and name HG1 )) ASSI { 787} (( segid " " and resid 138 and name HN )) (( segid " " and resid 140 and name HN )) 4.700 2.800 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.25857E-03 ppm1 8.225 ppm2 8.788 CV 1 OR { 787} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 794} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.58923E-02 ppm1 8.225 ppm2 2.192 CV 1 OR { 794} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 807} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.27253E-02 ppm1 8.067 ppm2 3.031 CV 1 OR { 807} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 812} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HN )) 2.500 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.42711E-02 ppm1 8.011 ppm2 8.364 CV 1 OR { 812} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) ASSI { 838} (( segid " " and resid 75 and name HN )) ( segid " " and resid 156 and name HE% ) 4.100 2.100 1.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 8.522 ppm2 7.628 CV 1 OR { 838} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD21)) ASSI { 845} (( segid " " and resid 75 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.800 3.800 2.200 peak 845 spectrum 1 weight 0.10000E+01 volume 0.11126E-02 ppm1 8.522 ppm2 3.060 CV 1 OR { 845} (( segid " " and resid 75 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 860} (( segid " " and resid 130 and name HN )) (( segid " " and resid 122 and name HA )) 3.900 1.900 1.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.41322E-03 ppm1 8.138 ppm2 4.567 CV 1 OR { 860} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) ASSI { 862} (( segid " " and resid 130 and name HN )) ( segid " " and resid 130 and name HB% ) 2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.68671E-02 ppm1 8.137 ppm2 0.604 CV 1 OR { 862} (( segid " " and resid 130 and name HN )) ( segid " " and resid 113 and name HD1%) ASSI { 940} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HD21)) 5.200 3.400 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17955E-03 ppm1 8.568 ppm2 7.628 CV 1 OR { 940} (( segid " " and resid 113 and name HN )) (( segid " " and resid 129 and name HN )) ASSI { 955} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 8.370 ppm2 4.042 CV 1 OR { 955} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 991} (( segid " " and resid 152 and name HN )) ( segid " " and resid 111 and name HG2%) 3.600 1.600 1.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.99334E-03 ppm1 8.445 ppm2 0.962 CV 1 OR { 991} (( segid " " and resid 152 and name HN )) (( segid " " and resid 89 and name HB1 )) ASSI { 1021} (( segid " " and resid 54 and name HN )) ( segid " " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.72005E-03 ppm1 7.469 ppm2 1.104 CV 1 OR { 1021} (( segid " " and resid 54 and name HN )) ( segid " " and resid 87 and name HG2%) ASSI { 1033} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HA )) 4.100 2.100 1.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.56417E-03 ppm1 9.004 ppm2 5.242 CV 1 OR { 1033} (( segid " " and resid 83 and name HN )) (( segid " " and resid 71 and name HA )) ASSI { 1091} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.46753E-02 ppm1 7.798 ppm2 8.375 CV 1 OR { 1091} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 1096} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HG2%) 3.400 1.400 1.400 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.21729E-02 ppm1 7.799 ppm2 1.438 CV 1 OR { 1096} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HB% ) ASSI { 1099} (( segid " " and resid 59 and name HN )) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.13420E-02 ppm1 7.672 ppm2 3.982 CV 1 OR { 1099} (( segid " " and resid 59 and name HN )) (( segid " " and resid 88 and name HA )) ASSI { 1129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 3.300 1.400 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.40623E-02 ppm1 7.006 ppm2 1.626 CV 1 OR { 1129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG11)) OR { 1129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 1145} (( segid " " and resid 109 and name HN )) (( segid " " and resid 131 and name HB1 )) 4.500 2.600 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.43057E-03 ppm1 8.768 ppm2 1.591 CV 1 OR { 1145} (( segid " " and resid 109 and name HN )) (( segid " " and resid 157 and name HB1 )) ASSI { 1155} (( segid " " and resid 94 and name HN )) ( segid " " and resid 92 and name HB% ) 2.700 2.700 3.300 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.62598E-03 ppm1 8.391 ppm2 1.408 CV 1 OR { 1155} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HG1 )) ASSI { 1175} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.600 1.600 1.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.29523E-02 ppm1 8.248 ppm2 1.577 CV 1 OR { 1175} (( segid " " and resid 60 and name HN )) (( segid " " and resid 152 and name HD2 )) OR { 1175} (( segid " " and resid 60 and name HN )) (( segid " " and resid 152 and name HD1 )) ASSI { 1187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 8.068 ppm2 2.499 CV 1 OR { 1187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) ASSI { 1208} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 7.823 ppm2 2.704 CV 1 OR { 1208} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) OR { 1208} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1223} (( segid " " and resid 109 and name HN )) (( segid " " and resid 155 and name HA )) 4.700 2.800 1.300 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.37337E-03 ppm1 8.768 ppm2 4.558 CV 1 OR { 1223} (( segid " " and resid 109 and name HN )) (( segid " " and resid 131 and name HA )) OR { 1223} (( segid " " and resid 109 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 1246} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.000 1.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.27038E-02 ppm1 7.668 ppm2 4.220 CV 1 OR { 1246} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 1255} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 2.700 2.700 3.300 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.93087E-02 ppm1 7.234 ppm2 8.419 CV 1 OR { 1255} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) ASSI { 1257} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.23315E-02 ppm1 7.234 ppm2 4.540 CV 1 OR { 1257} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) ASSI { 1266} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.21706E-02 ppm1 9.025 ppm2 7.801 CV 1 OR { 1266} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) ASSI { 1274} (( segid " " and resid 41 and name HN )) ( segid " " and resid 42 and name HD1%) 5.000 3.100 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.51063E-03 ppm1 8.609 ppm2 0.942 CV 1 OR { 1274} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HG )) ASSI { 1281} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.33774E-02 ppm1 8.605 ppm2 3.854 CV 1 OR { 1281} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 1281} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1294} (( segid " " and resid 89 and name HN )) (( segid " " and resid 87 and name HB )) 3.200 3.200 2.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.10550E-02 ppm1 8.240 ppm2 4.568 CV 1 OR { 1294} (( segid " " and resid 89 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 1331} (( segid " " and resid 88 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.800 1.800 1.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.31124E-03 ppm1 8.920 ppm2 2.209 CV 1 OR { 1331} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG1 )) OR { 1331} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 1361} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG2%) 3.100 1.200 1.200 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.25241E-02 ppm1 8.923 ppm2 0.988 CV 1 OR { 1361} (( segid " " and resid 88 and name HN )) ( segid " " and resid 86 and name HD2%) ASSI { 1368} (( segid " " and resid 88 and name HN )) (( segid " " and resid 61 and name HG12)) 3.800 1.800 1.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 8.880 ppm2 1.083 CV 1 OR { 1368} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG2%) OR { 1368} (( segid " " and resid 88 and name HN )) (( segid " " and resid 61 and name HG11)) ASSI { 1372} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HN )) 4.200 2.200 1.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.63598E-03 ppm1 8.780 ppm2 8.325 CV 1 OR { 1372} (( segid " " and resid 115 and name HN )) (( segid " " and resid 117 and name HN )) ASSI { 1376} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA1 )) 2.600 0.900 0.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.49308E-02 ppm1 8.777 ppm2 3.743 CV 1 OR { 1376} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 1379} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.300 0.700 0.700 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.50952E-02 ppm1 8.387 ppm2 8.139 CV 1 OR { 1379} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) ASSI { 1384} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HB2 )) 4.700 2.700 1.300 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.52496E-03 ppm1 8.389 ppm2 2.161 CV 1 OR { 1384} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 1384} (( segid " " and resid 11 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 1458} (( segid " " and resid 35 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.500 3.500 2.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.24347E-03 ppm1 8.869 ppm2 3.105 CV 1 OR { 1458} (( segid " " and resid 35 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 1459} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.400 0.700 0.700 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.52034E-02 ppm1 7.662 ppm2 8.841 CV 1 OR { 1459} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 1489} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA2 )) 4.500 2.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.51639E-03 ppm1 8.186 ppm2 4.068 CV 1 OR { 1489} (( segid " " and resid 71 and name HN )) (( segid " " and resid 85 and name HB )) OR { 1489} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HD1 )) ASSI { 1499} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.900 1.100 1.100 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.30798E-02 ppm1 8.118 ppm2 4.786 CV 1 OR { 1499} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HA2 )) ASSI { 1501} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.30838E-02 ppm1 8.118 ppm2 3.736 CV 1 OR { 1501} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HA1 )) ASSI { 1540} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HE% ) 3.800 1.800 1.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 8.062 ppm2 7.211 CV 1 OR { 1540} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HN )) ASSI { 1549} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG1 )) 4.900 3.000 1.100 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.55844E-03 ppm1 8.060 ppm2 1.663 CV 1 OR { 1549} (( segid " " and resid 65 and name HN )) (( segid " " and resid 86 and name HG )) ASSI { 1566} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HA1 )) 5.100 3.300 0.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.21980E-03 ppm1 7.750 ppm2 3.694 CV 1 OR { 1566} (( segid " " and resid 36 and name HN )) (( segid " " and resid 73 and name HG2 )) OR { 1566} (( segid " " and resid 36 and name HN )) (( segid " " and resid 73 and name HG1 )) ASSI { 1579} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HG11)) 5.100 3.200 0.900 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.23551E-03 ppm1 8.911 ppm2 1.650 CV 1 OR { 1579} (( segid " " and resid 40 and name HN )) (( segid " " and resid 44 and name HG )) OR { 1579} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 1585} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HD21)) 4.200 2.200 1.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.61710E-03 ppm1 8.350 ppm2 7.634 CV 1 OR { 1585} (( segid " " and resid 117 and name HN )) ( segid " " and resid 156 and name HE% ) ASSI { 1587} (( segid " " and resid 117 and name HN )) ( segid " " and resid 83 and name HD% ) 4.300 2.300 1.700 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.86101E-03 ppm1 8.350 ppm2 6.765 CV 1 OR { 1587} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HD22)) ASSI { 1597} (( segid " " and resid 117 and name HN )) ( segid " " and resid 119 and name HG2%) 4.300 2.300 1.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.64091E-03 ppm1 8.350 ppm2 0.585 CV 1 OR { 1597} (( segid " " and resid 117 and name HN )) ( segid " " and resid 113 and name HG2%) ASSI { 1608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HN )) 3.700 1.700 1.700 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.66122E-03 ppm1 7.226 ppm2 8.028 CV 1 OR { 1608} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HN )) ASSI { 1631} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.22820E-02 ppm1 7.363 ppm2 4.649 CV 1 OR { 1631} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) ASSI { 1639} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HG2%) 3.200 1.300 1.300 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 7.363 ppm2 1.247 CV 1 OR { 1639} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HD2 )) ASSI { 1697} (( segid " " and resid 87 and name HN )) (( segid " " and resid 61 and name HN )) 3.700 1.700 1.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 7.898 ppm2 8.145 CV 1 OR { 1697} (( segid " " and resid 87 and name HN )) (( segid " " and resid 66 and name HN )) ASSI { 1703} (( segid " " and resid 87 and name HN )) (( segid " " and resid 67 and name HA1 )) 4.700 2.800 1.300 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.36094E-03 ppm1 7.898 ppm2 3.927 CV 1 OR { 1703} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HA )) ASSI { 1715} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) 3.600 1.600 1.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.17997E-02 ppm1 9.476 ppm2 8.803 CV 1 OR { 1715} (( segid " " and resid 110 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 1717} (( segid " " and resid 110 and name HN )) ( segid " " and resid 122 and name HD% ) 4.000 2.000 2.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.94740E-03 ppm1 9.475 ppm2 6.804 CV 1 OR { 1717} (( segid " " and resid 110 and name HN )) ( segid " " and resid 156 and name HD% ) ASSI { 1737} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 3.000 1.100 1.100 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 8.385 ppm2 4.072 CV 1 OR { 1737} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) ASSI { 1741} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HB% ) 2.300 0.700 0.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.84920E-02 ppm1 8.386 ppm2 1.410 CV 1 OR { 1741} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HG2%) ASSI { 1749} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.30027E-02 ppm1 8.775 ppm2 4.548 CV 1 OR { 1749} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA2 )) ASSI { 1753} (( segid " " and resid 81 and name HN )) (( segid " " and resid 156 and name HB1 )) 5.100 3.200 0.900 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.23682E-03 ppm1 8.776 ppm2 1.847 CV 1 OR { 1753} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 1771} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.300 0.600 0.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.49794E-02 ppm1 7.242 ppm2 8.079 CV 1 OR { 1771} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HN )) ASSI { 1774} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA1 )) 2.300 0.700 0.700 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.36464E-02 ppm1 7.242 ppm2 3.882 CV 1 OR { 1774} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) ASSI { 1779} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HB1 )) 4.300 2.400 1.700 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.10342E-02 ppm1 7.241 ppm2 1.762 CV 1 OR { 1779} (( segid " " and resid 67 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 1782} (( segid " " and resid 72 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.500 1.600 1.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.69129E-03 ppm1 6.656 ppm2 2.634 CV 1 OR { 1782} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 1790} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA2 )) 3.000 1.100 1.100 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.20584E-02 ppm1 6.658 ppm2 4.063 CV 1 OR { 1790} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HD1 )) ASSI { 1828} (( segid " " and resid 108 and name HN )) (( segid " " and resid 155 and name HA )) 4.500 2.600 1.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.39145E-03 ppm1 7.514 ppm2 4.553 CV 1 OR { 1828} (( segid " " and resid 108 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 1838} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA1 )) 2.900 1.000 1.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.25362E-02 ppm1 7.512 ppm2 3.995 CV 1 OR { 1838} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) ASSI { 1870} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG1%) 2.600 2.600 3.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.89263E-03 ppm1 8.685 ppm2 0.852 CV 1 OR { 1870} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 1870} (( segid " " and resid 21 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 1895} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HN )) 4.900 3.100 1.100 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.23523E-03 ppm1 8.380 ppm2 8.038 CV 1 OR { 1895} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HN )) ASSI { 1912} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HB% ) 2.600 0.800 0.800 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.38944E-02 ppm1 8.279 ppm2 0.529 CV 1 OR { 1912} (( segid " " and resid 114 and name HN )) ( segid " " and resid 113 and name HG2%) ASSI { 1926} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.31775E-02 ppm1 8.067 ppm2 3.771 CV 1 OR { 1926} (( segid " " and resid 97 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 1957} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HB% ) 3.400 3.400 2.600 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.14919E-03 ppm1 9.634 ppm2 1.130 CV 1 OR { 1957} (( segid " " and resid 131 and name HN )) ( segid " " and resid 153 and name HG1%) OR { 1957} (( segid " " and resid 131 and name HN )) ( segid " " and resid 153 and name HG2%) ASSI { 7} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 25 and name HD1%) 3.000 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.25582E-02 ppm1 7.331 ppm2 0.159 CV 1 OR { 7} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 38 and name HD2%) ASSI { 14} ( segid " " and resid 155 and name HD% ) ( segid " " and resid 153 and name HG2%) 3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 7.202 ppm2 1.094 CV 1 OR { 14} ( segid " " and resid 155 and name HD% ) ( segid " " and resid 106 and name HB% ) OR { 14} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 61 and name HG11)) ASSI { 37} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 38 and name HD2%) 2.900 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.37154E-02 ppm1 6.191 ppm2 0.169 CV 1 OR { 37} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 25 and name HD1%) ASSI { 61} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HB )) 2.300 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.39065E-02 ppm1 5.215 ppm2 4.557 CV 1 OR { 61} (( segid " " and resid 154 and name HA )) (( segid " " and resid 61 and name HA )) ASSI { 63} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 64 and name HG1 )) 2.200 2.200 3.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17979E-02 ppm1 7.163 ppm2 1.653 CV 1 OR { 63} ( segid " " and resid 65 and name HE% ) ( segid " " and resid 14 and name HB% ) OR { 63} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 69 and name HB2 )) OR { 63} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 84 and name HG )) ASSI { 69} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 156 and name HB2 )) 3.200 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.13258E-02 ppm1 6.374 ppm2 2.339 CV 1 OR { 69} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 156 and name HB2 )) ASSI { 80} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HN )) 2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.16310E-02 ppm1 5.179 ppm2 8.877 CV 1 OR { 80} (( segid " " and resid 153 and name HA )) (( segid " " and resid 111 and name HN )) ASSI { 84} (( segid " " and resid 153 and name HA )) (( segid " " and resid 113 and name HB )) 3.500 1.600 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.15070E-02 ppm1 5.176 ppm2 1.496 CV 1 OR { 84} (( segid " " and resid 153 and name HA )) (( segid " " and resid 61 and name HB )) ASSI { 109} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.45441E-02 ppm1 5.256 ppm2 0.990 CV 1 OR { 109} (( segid " " and resid 69 and name HA )) ( segid " " and resid 86 and name HD2%) ASSI { 111} (( segid " " and resid 83 and name HA )) (( segid " " and resid 157 and name HN )) 3.400 3.400 2.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14180E-02 ppm1 5.499 ppm2 9.150 CV 1 OR { 111} (( segid " " and resid 151 and name HA )) (( segid " " and resid 112 and name HN )) OR { 111} (( segid " " and resid 83 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 114} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HD22)) 3.500 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 5.500 ppm2 7.081 CV 1 OR { 114} (( segid " " and resid 151 and name HA )) (( segid " " and resid 112 and name HD22)) ASSI { 118} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.700 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15509E-02 ppm1 5.502 ppm2 1.689 CV 1 OR { 118} (( segid " " and resid 151 and name HA )) (( segid " " and resid 152 and name HB1 )) ASSI { 126} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HD1 )) 2.800 1.000 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 5.329 ppm2 0.557 CV 1 OR { 126} (( segid " " and resid 60 and name HA )) ( segid " " and resid 61 and name HD1%) OR { 126} (( segid " " and resid 84 and name HA )) ( segid " " and resid 71 and name HG1%) ASSI { 127} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) 2.100 0.600 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 5.322 ppm2 1.668 CV 1 OR { 127} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB1 )) OR { 127} (( segid " " and resid 60 and name HA )) (( segid " " and resid 152 and name HB1 )) ASSI { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HD1 )) 3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.12674E-02 ppm1 5.326 ppm2 1.276 CV 1 OR { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HG2 )) OR { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HG1 )) OR { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HD2 )) OR { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 152 and name HG1 )) OR { 130} (( segid " " and resid 60 and name HA )) (( segid " " and resid 152 and name HG2 )) ASSI { 135} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD2%) 3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.34450E-02 ppm1 5.589 ppm2 0.997 CV 1 OR { 135} (( segid " " and resid 86 and name HA )) (( segid " " and resid 69 and name HB1 )) ASSI { 171} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 25 and name HD1%) 2.900 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.25293E-02 ppm1 6.704 ppm2 0.136 CV 1 OR { 171} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 38 and name HD2%) ASSI { 180} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 157 and name HG2 )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.31322E-02 ppm1 6.728 ppm2 2.165 CV 1 OR { 180} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 157 and name HG1 )) OR { 180} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 32 and name HB2 )) ASSI { 181} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 157 and name HB2 )) 3.000 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24631E-02 ppm1 6.728 ppm2 1.773 CV 1 OR { 181} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 25 and name HB )) ASSI { 188} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 50 and name HA )) 2.600 2.600 3.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.27775E-02 ppm1 6.557 ppm2 4.348 CV 1 OR { 188} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 52 and name HA )) ASSI { 189} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 50 and name HD2 )) 2.900 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 6.554 ppm2 3.675 CV 1 OR { 189} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 116 and name HA )) ASSI { 200} (( segid " " and resid 62 and name HB )) (( segid " " and resid 60 and name HD1 )) 3.300 3.300 2.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.19937E-02 ppm1 3.018 ppm2 0.614 CV 1 OR { 200} (( segid " " and resid 62 and name HB )) ( segid " " and resid 119 and name HG2%) OR { 200} (( segid " " and resid 62 and name HB )) ( segid " " and resid 113 and name HD1%) ASSI { 208} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HN )) 2.700 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.28520E-02 ppm1 3.418 ppm2 8.585 CV 1 OR { 208} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 209} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.25732E-02 ppm1 3.419 ppm2 2.093 CV 1 OR { 209} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB )) ASSI { 210} (( segid " " and resid 18 and name HA )) ( segid " " and resid 21 and name HB% ) 2.300 2.300 3.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10308E-01 ppm1 3.418 ppm2 1.410 CV 1 OR { 210} (( segid " " and resid 95 and name HA )) ( segid " " and resid 140 and name HB% ) ASSI { 211} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG1%) 2.200 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13085E-01 ppm1 3.419 ppm2 0.873 CV 1 OR { 211} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG1%) OR { 211} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG2%) ASSI { 212} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HA )) 3.700 1.700 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 3.412 ppm2 3.997 CV 1 OR { 212} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HA )) OR { 212} (( segid " " and resid 95 and name HA )) (( segid " " and resid 92 and name HA )) OR { 212} (( segid " " and resid 18 and name HA )) (( segid " " and resid 20 and name HB1 )) ASSI { 215} (( segid " " and resid 25 and name HA )) ( segid " " and resid 24 and name HB% ) 3.500 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.12842E-02 ppm1 3.496 ppm2 1.459 CV 1 OR { 215} (( segid " " and resid 15 and name HA )) (( segid " " and resid 100 and name HG )) ASSI { 220} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.000 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.20290E-02 ppm1 3.485 ppm2 8.210 CV 1 OR { 220} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HA )) 3.600 1.600 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 3.487 ppm2 4.026 CV 1 OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HA )) OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HA )) OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HB1 )) OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 105 and name HB2 )) OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HB2 )) OR { 221} (( segid " " and resid 15 and name HA )) (( segid " " and resid 12 and name HA )) ASSI { 222} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HB2 )) 3.100 1.200 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.22560E-02 ppm1 3.485 ppm2 2.190 CV 1 OR { 222} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB )) OR { 222} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HB1 )) ASSI { 231} (( segid " " and resid 134 and name HA )) ( segid " " and resid 109 and name HD% ) 2.700 2.700 3.300 peak 231 spectrum 1 weight 0.10000E+01 volume 0.12746E-02 ppm1 3.373 ppm2 7.072 CV 1 OR { 231} (( segid " " and resid 134 and name HA )) (( segid " " and resid 100 and name HN )) ASSI { 234} (( segid " " and resid 134 and name HA )) (( segid " " and resid 102 and name HB2 )) 3.300 1.400 1.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17033E-02 ppm1 3.375 ppm2 1.678 CV 1 OR { 234} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HB )) ASSI { 238} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 67 and name HA1 )) 3.500 3.500 2.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.51843E-02 ppm1 3.035 ppm2 3.948 CV 1 OR { 238} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 66 and name HA1 )) OR { 238} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 67 and name HA1 )) OR { 238} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 66 and name HA1 )) ASSI { 240} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HG1 )) 2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.34330E-02 ppm1 3.033 ppm2 1.654 CV 1 OR { 240} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HG1 )) OR { 240} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 86 and name HG )) ASSI { 241} (( segid " " and resid 64 and name HD2 )) ( segid " " and resid 86 and name HD2%) 3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.13911E-02 ppm1 3.032 ppm2 1.019 CV 1 OR { 241} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HB1 )) OR { 241} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HB1 )) OR { 241} (( segid " " and resid 64 and name HD1 )) ( segid " " and resid 86 and name HD2%) ASSI { 246} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD2%) 2.800 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.32030E-02 ppm1 1.817 ppm2 0.996 CV 1 OR { 246} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 69 and name HB1 )) ASSI { 292} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 0.996 ppm2 2.496 CV 1 OR { 292} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 55 and name HB1 )) OR { 292} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 58 and name HB1 )) ASSI { 314} (( segid " " and resid 88 and name HD1 )) (( segid " " and resid 68 and name HB1 )) 2.300 2.300 3.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.17662E-02 ppm1 3.197 ppm2 1.996 CV 1 OR { 314} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 49 and name HB )) OR { 314} (( segid " " and resid 54 and name HE1 )) (( segid " " and resid 49 and name HB )) OR { 314} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 119 and name HB )) ASSI { 338} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.47397E-02 ppm1 1.630 ppm2 3.018 CV 1 OR { 338} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 109 and name HB2 )) OR { 338} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 64 and name HD2 )) OR { 338} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HB2 )) ASSI { 339} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 109 and name HB1 )) 2.900 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.35653E-02 ppm1 1.606 ppm2 2.777 CV 1 OR { 339} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 65 and name HB1 )) OR { 339} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 109 and name HB1 )) ASSI { 343} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 73 and name HD2 )) 2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18051E-02 ppm1 1.535 ppm2 4.060 CV 1 OR { 343} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 73 and name HD2 )) OR { 343} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 72 and name HA2 )) OR { 343} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 73 and name HD1 )) OR { 343} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 73 and name HD1 )) ASSI { 356} (( segid " " and resid 54 and name HE1 )) ( segid " " and resid 49 and name HG2%) 2.500 2.500 3.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 3.163 ppm2 1.215 CV 1 OR { 356} (( segid " " and resid 54 and name HE2 )) ( segid " " and resid 49 and name HG2%) OR { 356} (( segid " " and resid 54 and name HE2 )) ( segid " " and resid 154 and name HG2%) OR { 356} (( segid " " and resid 54 and name HE2 )) (( segid " " and resid 116 and name HB2 )) ASSI { 371} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 43 and name HB2 )) 3.400 1.400 1.400 peak 371 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 3.013 ppm2 2.044 CV 1 OR { 371} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 88 and name HB2 )) OR { 371} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 88 and name HB2 )) ASSI { 372} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 71 and name HG1%) 3.900 1.900 1.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 3.014 ppm2 0.580 CV 1 OR { 372} (( segid " " and resid 10 and name HE1 )) ( segid " " and resid 93 and name HB% ) OR { 372} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 60 and name HD1 )) OR { 372} (( segid " " and resid 10 and name HE2 )) ( segid " " and resid 93 and name HB% ) OR { 372} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 60 and name HD1 )) OR { 372} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 60 and name HD1 )) OR { 372} (( segid " " and resid 59 and name HE2 )) ( segid " " and resid 89 and name HD1%) OR { 372} (( segid " " and resid 59 and name HE1 )) ( segid " " and resid 89 and name HD1%) ASSI { 375} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 59 and name HB2 )) 3.000 3.000 3.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.16850E-02 ppm1 2.975 ppm2 2.142 CV 1 OR { 375} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 59 and name HB2 )) OR { 375} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 73 and name HB2 )) OR { 375} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 73 and name HB1 )) ASSI { 379} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 99 and name HA )) 3.300 1.300 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.20147E-02 ppm1 2.899 ppm2 4.290 CV 1 OR { 379} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 6 and name HB2 )) OR { 379} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 6 and name HB1 )) ASSI { 386} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 107 and name HA )) 3.400 1.500 1.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 2.831 ppm2 3.948 CV 1 OR { 386} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 81 and name HA1 )) OR { 386} (( segid " " and resid 107 and name HE1 )) (( segid " " and resid 107 and name HA )) ASSI { 424} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 39 and name HB1 )) 3.900 1.900 1.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.14766E-02 ppm1 1.509 ppm2 3.021 CV 1 OR { 424} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 39 and name HB1 )) OR { 424} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 45 and name HB2 )) ASSI { 430} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HN )) 2.900 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.19606E-02 ppm1 2.815 ppm2 8.388 CV 1 OR { 430} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HN )) ASSI { 434} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.12565E-02 ppm1 2.519 ppm2 8.388 CV 1 OR { 434} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HN )) ASSI { 440} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.19747E-02 ppm1 2.790 ppm2 8.341 CV 1 OR { 440} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 8 and name HN )) ASSI { 441} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.29280E-02 ppm1 2.784 ppm2 4.631 CV 1 OR { 441} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 132 and name HA )) ASSI { 442} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 137 and name HD1 )) 3.400 3.400 2.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 2.773 ppm2 2.240 CV 1 OR { 442} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 137 and name HD2 )) OR { 442} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 139 and name HG2 )) ASSI { 456} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 88 and name HA )) 3.500 3.500 2.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 3.018 ppm2 3.957 CV 1 OR { 456} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 47 and name HB2 )) OR { 456} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 47 and name HB1 )) OR { 456} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 85 and name HB )) ASSI { 458} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 60 and name HB2 )) 2.400 2.400 3.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.22683E-02 ppm1 3.022 ppm2 1.658 CV 1 OR { 458} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 60 and name HB1 )) OR { 458} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 152 and name HB1 )) ASSI { 460} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 89 and name HB1 )) 3.500 3.500 2.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 3.022 ppm2 0.997 CV 1 OR { 460} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 85 and name HG2%) OR { 460} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 86 and name HD2%) OR { 460} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 97 and name HD1%) ASSI { 465} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.21639E-02 ppm1 2.673 ppm2 4.729 CV 1 OR { 465} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 58 and name HA )) OR { 465} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 468} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 109 and name HA )) 2.900 1.100 1.100 peak 468 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 2.648 ppm2 5.510 CV 1 OR { 468} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 483} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 91 and name HN )) 3.500 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 3.081 ppm2 8.033 CV 1 OR { 483} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 92 and name HN )) OR { 483} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 58 and name HN )) ASSI { 488} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 91 and name HN )) 3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.13742E-02 ppm1 2.874 ppm2 8.048 CV 1 OR { 488} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 92 and name HN )) ASSI { 491} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 25 and name HG12)) 3.600 1.600 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.15296E-02 ppm1 2.867 ppm2 1.345 CV 1 OR { 491} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 25 and name HG11)) OR { 491} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HB1 )) OR { 491} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 143 and name HB% ) OR { 491} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 91 and name HG1 )) ASSI { 495} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.40651E-02 ppm1 2.631 ppm2 8.048 CV 1 OR { 495} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HN )) OR { 495} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HN )) ASSI { 497} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.12982E-02 ppm1 2.631 ppm2 6.828 CV 1 OR { 497} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HD22)) OR { 497} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 501} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 25 and name HG2%) 3.600 1.600 1.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.13712E-02 ppm1 2.613 ppm2 0.551 CV 1 OR { 501} (( segid " " and resid 118 and name HB1 )) ( segid " " and resid 119 and name HG2%) OR { 501} (( segid " " and resid 63 and name HB1 )) ( segid " " and resid 61 and name HD1%) OR { 501} (( segid " " and resid 155 and name HB1 )) ( segid " " and resid 102 and name HD1%) OR { 501} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 25 and name HG2%) OR { 501} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 71 and name HG1%) ASSI { 505} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 143 and name HB% ) 3.600 1.600 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.15317E-02 ppm1 2.428 ppm2 1.345 CV 1 OR { 505} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 59 and name HG1 )) OR { 505} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 59 and name HG2 )) ASSI { 508} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 93 and name HB% ) 3.100 3.100 2.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 1.780 ppm2 0.523 CV 1 OR { 508} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 102 and name HD1%) OR { 508} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 93 and name HB% ) OR { 508} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 61 and name HD1%) OR { 508} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 102 and name HD1%) ASSI { 517} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.28988E-02 ppm1 2.864 ppm2 8.104 CV 1 OR { 517} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 32 and name HN )) ASSI { 518} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.100 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 2.868 ppm2 8.341 CV 1 OR { 518} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HN )) OR { 518} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 93 and name HN )) OR { 518} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) OR { 518} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 8 and name HN )) OR { 518} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 519} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27924E-02 ppm1 2.866 ppm2 7.609 CV 1 OR { 519} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HD21)) ASSI { 521} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 18 and name HG1%) 3.700 1.700 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.13636E-02 ppm1 2.848 ppm2 0.873 CV 1 OR { 521} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 111 and name HG1%) OR { 521} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 61 and name HG2%) ASSI { 539} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 15 and name HD1%) 2.900 2.900 3.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 3.124 ppm2 0.922 CV 1 OR { 539} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD1%) OR { 539} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 84 and name HD1%) ASSI { 547} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.22426E-02 ppm1 2.886 ppm2 8.338 CV 1 OR { 547} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HN )) OR { 547} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 93 and name HN )) OR { 547} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) OR { 547} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 548} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 131 and name HB2 )) 3.800 1.800 1.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 2.893 ppm2 2.162 CV 1 OR { 548} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 32 and name HB2 )) ASSI { 549} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 14 and name HB% ) 3.300 1.300 1.300 peak 549 spectrum 1 weight 0.10000E+01 volume 0.20404E-02 ppm1 2.852 ppm2 1.654 CV 1 OR { 549} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 14 and name HB% ) OR { 549} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HG )) OR { 549} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 157 and name HB1 )) OR { 549} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 91 and name HD2 )) ASSI { 552} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 156 and name HN )) 2.700 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.25403E-02 ppm1 2.809 ppm2 8.488 CV 1 OR { 552} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 557} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HD21)) 2.700 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.28844E-02 ppm1 2.722 ppm2 7.598 CV 1 OR { 557} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HD21)) OR { 557} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD21)) OR { 557} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD21)) ASSI { 559} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 82 and name HN )) 3.600 1.700 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.17334E-02 ppm1 2.713 ppm2 8.048 CV 1 OR { 559} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 44 and name HN )) ASSI { 561} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.700 1.700 1.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 2.713 ppm2 7.023 CV 1 OR { 561} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 74 and name HN )) OR { 561} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HN )) ASSI { 562} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 77 and name HA )) 3.000 3.000 3.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.38059E-02 ppm1 2.711 ppm2 4.729 CV 1 OR { 562} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 77 and name HA )) OR { 562} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 77 and name HA )) ASSI { 564} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 79 and name HB% ) 3.300 1.400 1.400 peak 564 spectrum 1 weight 0.10000E+01 volume 0.22079E-02 ppm1 2.712 ppm2 1.654 CV 1 OR { 564} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 79 and name HB% ) OR { 564} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 79 and name HB% ) OR { 564} (( segid " " and resid 76 and name HB1 )) ( segid " " and resid 79 and name HB% ) ASSI { 581} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 147 and name HG2%) 3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 2.452 ppm2 1.263 CV 1 OR { 581} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 59 and name HD1 )) OR { 581} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 59 and name HD2 )) OR { 581} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 152 and name HG1 )) OR { 581} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 152 and name HG2 )) OR { 581} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 152 and name HG2 )) OR { 581} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 113 and name HG12)) OR { 581} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 113 and name HG11)) ASSI { 588} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.500 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.42639E-02 ppm1 3.120 ppm2 8.585 CV 1 OR { 588} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) ASSI { 590} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.700 2.700 3.300 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17560E-02 ppm1 3.114 ppm2 4.290 CV 1 OR { 590} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 99 and name HA )) OR { 590} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 29 and name HA )) ASSI { 594} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HA )) 2.500 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.37647E-02 ppm1 2.804 ppm2 4.592 CV 1 OR { 594} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) OR { 594} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 595} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.21151E-02 ppm1 2.737 ppm2 4.583 CV 1 OR { 595} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HA )) OR { 595} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) ASSI { 604} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG2%) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.56285E-02 ppm1 1.992 ppm2 1.070 CV 1 OR { 604} (( segid " " and resid 49 and name HB )) ( segid " " and resid 49 and name HD1%) ASSI { 626} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HA )) 3.300 3.300 2.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 2.311 ppm2 3.961 CV 1 OR { 626} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 139 and name HA )) OR { 626} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 85 and name HB )) ASSI { 631} (( segid " " and resid 135 and name HB )) (( segid " " and resid 135 and name HN )) 2.900 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.25877E-02 ppm1 1.678 ppm2 8.657 CV 1 OR { 631} (( segid " " and resid 135 and name HB )) (( segid " " and resid 136 and name HN )) ASSI { 634} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 85 and name HG2%) 3.500 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.13520E-02 ppm1 1.667 ppm2 1.019 CV 1 OR { 634} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 85 and name HG2%) OR { 634} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 89 and name HB1 )) OR { 634} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 89 and name HB1 )) OR { 634} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 86 and name HD2%) OR { 634} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 150 and name HG2%) OR { 634} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 86 and name HD2%) ASSI { 648} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HB1 )) 1.400 0.300 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.19592E-01 ppm1 1.825 ppm2 1.703 CV 1 OR { 648} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 60 and name HB1 )) OR { 648} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 650} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.20158E-02 ppm1 1.714 ppm2 5.305 CV 1 OR { 650} (( segid " " and resid 71 and name HB )) (( segid " " and resid 71 and name HA )) OR { 650} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HA )) ASSI { 651} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 87 and name HG2%) 2.900 1.100 1.100 peak 651 spectrum 1 weight 0.10000E+01 volume 0.28047E-02 ppm1 1.711 ppm2 1.068 CV 1 OR { 651} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 87 and name HG2%) OR { 651} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 85 and name HG2%) OR { 651} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 85 and name HG2%) OR { 651} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HG12)) OR { 651} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 61 and name HG12)) ASSI { 655} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 59 and name HE1 )) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 1.689 ppm2 2.993 CV 1 OR { 655} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 59 and name HE2 )) OR { 655} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 59 and name HE1 )) OR { 655} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 59 and name HE2 )) OR { 655} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 112 and name HB1 )) OR { 655} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 62 and name HB )) OR { 655} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 62 and name HB )) OR { 655} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 112 and name HB1 )) ASSI { 656} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 54 and name HB2 )) 3.700 1.700 1.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.12401E-02 ppm1 1.694 ppm2 2.191 CV 1 OR { 656} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 656} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 657} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HG1 )) 2.500 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.40448E-02 ppm1 1.685 ppm2 1.253 CV 1 OR { 657} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HG2 )) OR { 657} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 152 and name HG1 )) OR { 657} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 152 and name HG2 )) OR { 657} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 152 and name HG1 )) ASSI { 659} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 153 and name HG1%) 3.100 3.100 2.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.22986E-02 ppm1 1.622 ppm2 1.079 CV 1 OR { 659} (( segid " " and resid 152 and name HB1 )) ( segid " " and resid 153 and name HG2%) OR { 659} (( segid " " and resid 131 and name HB1 )) ( segid " " and resid 134 and name HB% ) ASSI { 666} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 111 and name HG2%) 3.800 1.800 1.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 3.459 ppm2 0.928 CV 1 OR { 666} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 95 and name HG2%) ASSI { 675} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HB1 )) 3.300 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.14110E-02 ppm1 3.036 ppm2 2.581 CV 1 OR { 675} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 128 and name HG2 )) ASSI { 683} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 38 and name HD2%) 4.100 2.100 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 2.702 ppm2 0.180 CV 1 OR { 683} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 25 and name HD1%) ASSI { 689} (( segid " " and resid 153 and name HB )) (( segid " " and resid 61 and name HB )) 2.800 2.800 3.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.44656E-02 ppm1 2.507 ppm2 1.486 CV 1 OR { 689} (( segid " " and resid 153 and name HB )) (( segid " " and resid 113 and name HB )) ASSI { 704} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 133 and name HB )) 1.900 1.900 4.100 peak 704 spectrum 1 weight 0.10000E+01 volume 0.39019E-02 ppm1 2.272 ppm2 4.339 CV 1 OR { 704} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 133 and name HB )) OR { 704} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 97 and name HA )) ASSI { 727} (( segid " " and resid 61 and name HB )) ( segid " " and resid 61 and name HG2%) 2.200 0.600 0.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.61619E-02 ppm1 1.531 ppm2 0.922 CV 1 OR { 727} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 116 and name HB1 )) ASSI { 728} (( segid " " and resid 61 and name HB )) ( segid " " and resid 61 and name HD1%) 2.300 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.77877E-02 ppm1 1.533 ppm2 0.531 CV 1 OR { 728} (( segid " " and resid 116 and name HG2 )) ( segid " " and resid 113 and name HG2%) ASSI { 740} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.36169E-02 ppm1 2.495 ppm2 2.191 CV 1 OR { 740} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HB1 )) OR { 740} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB1 )) OR { 740} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HB1 )) ASSI { 752} (( segid " " and resid 157 and name HG2 )) (( segid " " and resid 157 and name HB1 )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.25897E-02 ppm1 2.159 ppm2 1.654 CV 1 OR { 752} (( segid " " and resid 157 and name HG1 )) (( segid " " and resid 157 and name HB1 )) OR { 752} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HD1 )) OR { 752} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HD2 )) ASSI { 754} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 150 and name HG2%) 3.000 3.000 3.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 2.162 ppm2 0.971 CV 1 OR { 754} (( segid " " and resid 157 and name HG1 )) (( segid " " and resid 107 and name HB1 )) OR { 754} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 111 and name HG2%) ASSI { 756} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 2.700 2.700 3.300 peak 756 spectrum 1 weight 0.10000E+01 volume 0.55323E-02 ppm1 2.139 ppm2 2.386 CV 1 OR { 756} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 52 and name HB1 )) ASSI { 777} (( segid " " and resid 111 and name HB )) ( segid " " and resid 143 and name HB% ) 2.900 2.900 3.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.48268E-02 ppm1 2.241 ppm2 1.350 CV 1 OR { 777} (( segid " " and resid 111 and name HB )) (( segid " " and resid 131 and name HD1 )) OR { 777} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 25 and name HG12)) OR { 777} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 25 and name HG11)) ASSI { 786} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 86 and name HB1 )) 4.000 2.000 2.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.22289E-02 ppm1 2.008 ppm2 1.410 CV 1 OR { 786} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HG2 )) OR { 786} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 88 and name HG1 )) ASSI { 789} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 43 and name HB2 )) 2.700 2.700 3.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10309E-01 ppm1 1.814 ppm2 1.996 CV 1 OR { 789} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 49 and name HB )) ASSI { 806} (( segid " " and resid 111 and name HB )) (( segid " " and resid 153 and name HB )) 2.900 2.900 3.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.32327E-02 ppm1 2.184 ppm2 2.484 CV 1 OR { 806} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HB1 )) ASSI { 808} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HN )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.22112E-02 ppm1 2.112 ppm2 8.237 CV 1 OR { 808} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 69 and name HN )) ASSI { 810} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HN )) 3.400 1.500 1.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.23534E-02 ppm1 1.971 ppm2 8.228 CV 1 OR { 810} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 69 and name HN )) ASSI { 812} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HB2 )) 1.900 0.400 0.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.10014E-01 ppm1 1.974 ppm2 2.070 CV 1 OR { 812} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HG2 )) OR { 812} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HG1 )) ASSI { 813} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 87 and name HG2%) 3.800 1.800 1.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.13172E-02 ppm1 1.972 ppm2 1.071 CV 1 OR { 813} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 86 and name HD1%) ASSI { 815} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HE2 )) 3.200 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 1.031 ppm2 2.797 CV 1 OR { 815} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HE1 )) OR { 815} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 80 and name HB1 )) ASSI { 822} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HB1 )) 1.600 0.300 0.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.96066E-02 ppm1 2.520 ppm2 1.019 CV 1 OR { 822} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 86 and name HD2%) ASSI { 835} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HG1 )) 2.900 1.000 1.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.20736E-02 ppm1 1.897 ppm2 1.410 CV 1 OR { 835} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG1 )) OR { 835} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 140 and name HB% ) ASSI { 837} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 48 and name HN )) 2.100 2.100 3.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.28484E-02 ppm1 1.785 ppm2 7.999 CV 1 OR { 837} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 44 and name HN )) OR { 837} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 105 and name HN )) OR { 837} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 155 and name HN )) ASSI { 857} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 15 and name HG2%) 2.900 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20154E-02 ppm1 2.197 ppm2 0.934 CV 1 OR { 857} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 15 and name HG2%) OR { 857} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 38 and name HG )) ASSI { 863} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.60625E-02 ppm1 2.405 ppm2 3.997 CV 1 OR { 863} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HA )) OR { 863} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HA )) ASSI { 866} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 138 and name HB% ) 3.500 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.20531E-02 ppm1 2.400 ppm2 1.388 CV 1 OR { 866} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 98 and name HB% ) OR { 866} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 126 and name HB% ) OR { 866} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 140 and name HB% ) OR { 866} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 138 and name HB% ) ASSI { 869} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 71 and name HB )) 2.600 2.600 3.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.76150E-02 ppm1 2.158 ppm2 1.752 CV 1 OR { 869} (( segid " " and resid 95 and name HB )) (( segid " " and resid 97 and name HB2 )) OR { 869} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 71 and name HB )) OR { 869} (( segid " " and resid 95 and name HB )) (( segid " " and resid 97 and name HB1 )) ASSI { 873} (( segid " " and resid 95 and name HB )) (( segid " " and resid 91 and name HD2 )) 2.900 2.900 3.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.18253E-02 ppm1 2.156 ppm2 1.632 CV 1 OR { 873} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 84 and name HG )) OR { 873} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 79 and name HB% ) OR { 873} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 84 and name HG )) OR { 873} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 102 and name HB1 )) OR { 873} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 79 and name HB% ) OR { 873} (( segid " " and resid 95 and name HB )) ( segid " " and resid 14 and name HB% ) ASSI { 874} (( segid " " and resid 95 and name HB )) (( segid " " and resid 95 and name HN )) 2.500 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.42046E-02 ppm1 2.106 ppm2 8.585 CV 1 OR { 874} (( segid " " and resid 18 and name HB )) (( segid " " and resid 19 and name HN )) ASSI { 875} (( segid " " and resid 95 and name HB )) (( segid " " and resid 92 and name HA )) 2.900 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.29306E-02 ppm1 2.107 ppm2 3.997 CV 1 OR { 875} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HA )) OR { 875} (( segid " " and resid 18 and name HB )) (( segid " " and resid 21 and name HA )) ASSI { 876} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG1%) 2.100 0.500 0.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.13097E-01 ppm1 2.107 ppm2 0.873 CV 1 OR { 876} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG2%) OR { 876} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG1%) OR { 876} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) ASSI { 877} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HA )) 2.600 0.800 0.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.33178E-02 ppm1 1.959 ppm2 3.968 CV 1 OR { 877} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HA )) ASSI { 878} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HG2 )) 1.900 0.400 0.400 peak 878 spectrum 1 weight 0.10000E+01 volume 0.79555E-02 ppm1 1.961 ppm2 2.386 CV 1 OR { 878} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HB2 )) ASSI { 889} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 2.179 ppm2 4.076 CV 1 OR { 889} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HD2 )) OR { 889} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 36 and name HA )) OR { 889} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HD1 )) OR { 889} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HD1 )) OR { 889} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HD2 )) ASSI { 900} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.14414E-02 ppm1 2.175 ppm2 4.188 CV 1 OR { 900} (( segid " " and resid 54 and name HG2 )) (( segid " " and resid 51 and name HA )) OR { 900} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 20 and name HA )) ASSI { 903} (( segid " " and resid 15 and name HG12)) ( segid " " and resid 100 and name HD2%) 2.500 2.500 3.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.59977E-02 ppm1 1.972 ppm2 0.895 CV 1 OR { 903} (( segid " " and resid 15 and name HG11)) ( segid " " and resid 100 and name HD2%) OR { 903} (( segid " " and resid 15 and name HG12)) ( segid " " and resid 18 and name HG2%) ASSI { 945} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HE2 )) 2.700 0.900 0.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.63724E-02 ppm1 1.623 ppm2 3.021 CV 1 OR { 945} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HE1 )) OR { 945} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 55 and name HB2 )) ASSI { 946} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 2.600 2.600 3.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.33124E-02 ppm1 1.608 ppm2 4.727 CV 1 OR { 946} (( segid " " and resid 91 and name HD2 )) (( segid " " and resid 148 and name HA )) OR { 946} (( segid " " and resid 91 and name HD1 )) (( segid " " and resid 148 and name HA )) ASSI { 948} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 87 and name HG2%) 2.500 2.500 3.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.71655E-02 ppm1 1.609 ppm2 1.068 CV 1 OR { 948} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HG12)) OR { 948} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HG11)) OR { 948} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 153 and name HG2%) OR { 948} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 153 and name HG1%) OR { 948} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 86 and name HD1%) ASSI { 955} (( segid " " and resid 131 and name HG1 )) (( segid " " and resid 135 and name HB )) 2.800 2.800 3.200 peak 955 spectrum 1 weight 0.10000E+01 volume 0.51548E-02 ppm1 1.406 ppm2 1.703 CV 1 OR { 955} (( segid " " and resid 131 and name HG2 )) (( segid " " and resid 135 and name HB )) OR { 955} (( segid " " and resid 25 and name HG12)) (( segid " " and resid 30 and name HG12)) OR { 955} (( segid " " and resid 25 and name HG11)) (( segid " " and resid 30 and name HG12)) OR { 955} (( segid " " and resid 25 and name HG11)) (( segid " " and resid 30 and name HG11)) OR { 955} (( segid " " and resid 25 and name HG12)) (( segid " " and resid 30 and name HG11)) OR { 955} (( segid " " and resid 25 and name HG12)) (( segid " " and resid 84 and name HB2 )) ASSI { 966} (( segid " " and resid 50 and name HG2 )) ( segid " " and resid 43 and name HD1%) 3.700 1.700 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.12672E-02 ppm1 2.147 ppm2 0.922 CV 1 OR { 966} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HG2%) OR { 966} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 61 and name HG2%) ASSI { 973} (( segid " " and resid 42 and name HG12)) ( segid " " and resid 41 and name HG2%) 2.100 2.100 3.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.18078E-01 ppm1 1.716 ppm2 1.312 CV 1 OR { 973} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 59 and name HG2 )) OR { 973} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 152 and name HG1 )) OR { 973} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 59 and name HG1 )) OR { 973} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 152 and name HG2 )) OR { 973} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 89 and name HG )) ASSI { 977} (( segid " " and resid 30 and name HG12)) ( segid " " and resid 30 and name HD1%) 2.000 0.500 0.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.14390E-01 ppm1 1.696 ppm2 0.925 CV 1 OR { 977} (( segid " " and resid 42 and name HG11)) ( segid " " and resid 42 and name HD1%) OR { 977} (( segid " " and resid 30 and name HG11)) ( segid " " and resid 30 and name HD1%) OR { 977} (( segid " " and resid 42 and name HG12)) ( segid " " and resid 42 and name HD1%) ASSI { 980} (( segid " " and resid 152 and name HD1 )) (( segid " " and resid 152 and name HG2 )) 2.300 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.65623E-02 ppm1 1.632 ppm2 1.263 CV 1 OR { 980} (( segid " " and resid 152 and name HD2 )) (( segid " " and resid 152 and name HG1 )) OR { 980} (( segid " " and resid 91 and name HD1 )) (( segid " " and resid 91 and name HG2 )) OR { 980} (( segid " " and resid 91 and name HD2 )) (( segid " " and resid 91 and name HG2 )) OR { 980} (( segid " " and resid 152 and name HD2 )) (( segid " " and resid 152 and name HG2 )) OR { 980} (( segid " " and resid 152 and name HD1 )) (( segid " " and resid 152 and name HG1 )) ASSI { 983} (( segid " " and resid 113 and name HG12)) (( segid " " and resid 129 and name HA )) 3.300 1.400 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 1.318 ppm2 4.059 CV 1 OR { 983} (( segid " " and resid 113 and name HG11)) (( segid " " and resid 129 and name HA )) OR { 983} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 108 and name HA1 )) ASSI { 989} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 69 and name HG )) 1.900 1.900 4.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.16270E-01 ppm1 0.915 ppm2 1.430 CV 1 OR { 989} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 86 and name HB1 )) OR { 989} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 86 and name HB1 )) OR { 989} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 64 and name HG2 )) OR { 989} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 64 and name HG2 )) ASSI { 1005} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 2.300 0.700 0.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.39420E-02 ppm1 2.081 ppm2 3.948 CV 1 OR { 1005} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 67 and name HA1 )) ASSI { 1011} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 86 and name HD1%) 3.800 1.800 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.12414E-02 ppm1 2.040 ppm2 1.031 CV 1 OR { 1011} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 64 and name HB1 )) ASSI { 1016} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 86 and name HB1 )) 3.100 3.100 2.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.25519E-02 ppm1 1.795 ppm2 1.459 CV 1 OR { 1016} (( segid " " and resid 97 and name HG )) (( segid " " and resid 10 and name HD2 )) OR { 1016} (( segid " " and resid 97 and name HG )) (( segid " " and resid 100 and name HG )) OR { 1016} (( segid " " and resid 97 and name HG )) ( segid " " and resid 140 and name HB% ) ASSI { 1019} (( segid " " and resid 43 and name HG )) ( segid " " and resid 43 and name HD1%) 2.300 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.77287E-02 ppm1 1.666 ppm2 0.882 CV 1 OR { 1019} (( segid " " and resid 28 and name HG )) ( segid " " and resid 28 and name HD1%) ASSI { 1023} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HN )) 3.200 1.300 1.300 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 1.721 ppm2 8.878 CV 1 OR { 1023} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 31 and name HN )) OR { 1023} (( segid " " and resid 30 and name HG11)) (( segid " " and resid 31 and name HN )) OR { 1023} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 88 and name HN )) ASSI { 1024} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 67 and name HA2 )) 3.900 1.900 1.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.13778E-02 ppm1 1.723 ppm2 4.387 CV 1 OR { 1024} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 54 and name HA )) OR { 1024} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 52 and name HA )) ASSI { 1026} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 61 and name HA )) 3.400 1.400 1.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.13876E-02 ppm1 1.717 ppm2 4.534 CV 1 OR { 1026} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 87 and name HB )) OR { 1026} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 66 and name HA2 )) ASSI { 1027} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.12932E-02 ppm1 1.668 ppm2 2.848 CV 1 OR { 1027} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 29 and name HB2 )) OR { 1027} (( segid " " and resid 30 and name HG11)) (( segid " " and resid 29 and name HB2 )) OR { 1027} (( segid " " and resid 28 and name HG )) (( segid " " and resid 29 and name HB2 )) ASSI { 1028} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.21175E-02 ppm1 1.662 ppm2 5.273 CV 1 OR { 1028} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 154 and name HA )) OR { 1028} (( segid " " and resid 42 and name HG11)) (( segid " " and resid 71 and name HA )) OR { 1028} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 69 and name HA )) ASSI { 1029} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 89 and name HD1%) 3.400 3.400 2.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.29861E-02 ppm1 1.664 ppm2 0.606 CV 1 OR { 1029} (( segid " " and resid 28 and name HG )) ( segid " " and resid 25 and name HG2%) OR { 1029} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 60 and name HD1 )) ASSI { 1037} (( segid " " and resid 113 and name HG11)) (( segid " " and resid 119 and name HN )) 3.700 3.700 2.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.13465E-02 ppm1 1.324 ppm2 7.116 CV 1 OR { 1037} (( segid " " and resid 113 and name HG12)) (( segid " " and resid 119 and name HN )) OR { 1037} (( segid " " and resid 113 and name HG12)) (( segid " " and resid 112 and name HD22)) ASSI { 1051} (( segid " " and resid 60 and name HD1 )) (( segid " " and resid 85 and name HB )) 3.500 1.600 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.12831E-02 ppm1 0.563 ppm2 4.046 CV 1 OR { 1051} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 108 and name HA1 )) OR { 1051} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 105 and name HB2 )) OR { 1051} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 92 and name HA )) ASSI { 1058} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 119 and name HG2%) 2.300 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.61914E-02 ppm1 1.581 ppm2 0.580 CV 1 OR { 1058} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 61 and name HD1%) OR { 1058} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 113 and name HG2%) ASSI { 1064} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 22 and name HB )) 3.300 3.300 2.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 1.496 ppm2 4.095 CV 1 OR { 1064} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 22 and name HB )) OR { 1064} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 19 and name HA )) ASSI { 1066} (( segid " " and resid 69 and name HG )) ( segid " " and resid 71 and name HG2%) 2.800 2.800 3.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.57620E-02 ppm1 1.486 ppm2 0.824 CV 1 OR { 1066} (( segid " " and resid 107 and name HD1 )) ( segid " " and resid 18 and name HG1%) ASSI { 1069} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 61 and name HG11)) 2.400 0.700 0.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.45312E-02 ppm1 1.439 ppm2 1.117 CV 1 OR { 1069} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 61 and name HG12)) OR { 1069} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 86 and name HD1%) ASSI { 1070} (( segid " " and resid 131 and name HD1 )) ( segid " " and resid 111 and name HG1%) 2.700 2.700 3.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.87083E-02 ppm1 1.429 ppm2 0.824 CV 1 OR { 1070} (( segid " " and resid 69 and name HG )) ( segid " " and resid 71 and name HG2%) OR { 1070} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 60 and name HG1 )) ASSI { 1071} (( segid " " and resid 131 and name HD1 )) (( segid " " and resid 132 and name HA )) 3.400 1.500 1.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.14064E-02 ppm1 1.423 ppm2 4.680 CV 1 OR { 1071} (( segid " " and resid 131 and name HD1 )) (( segid " " and resid 133 and name HA )) ASSI { 1080} (( segid " " and resid 119 and name HG11)) ( segid " " and resid 119 and name HG2%) 2.800 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.57419E-02 ppm1 1.143 ppm2 0.562 CV 1 OR { 1080} (( segid " " and resid 119 and name HG11)) ( segid " " and resid 113 and name HG2%) ASSI { 1081} (( segid " " and resid 119 and name HG11)) ( segid " " and resid 122 and name HD% ) 3.700 1.700 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 1.140 ppm2 6.781 CV 1 OR { 1081} (( segid " " and resid 119 and name HG11)) ( segid " " and resid 156 and name HD% ) ASSI { 1082} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB1 )) 3.000 1.100 1.100 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.16962E-02 ppm1 1.104 ppm2 1.410 CV 1 OR { 1082} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 64 and name HG2 )) ASSI { 1095} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 94 and name HA )) 2.700 2.700 3.300 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.52392E-02 ppm1 0.569 ppm2 3.797 CV 1 OR { 1095} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 93 and name HA )) ASSI { 1096} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 94 and name HB1 )) 3.800 1.800 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 0.567 ppm2 2.484 CV 1 OR { 1096} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 153 and name HB )) OR { 1096} (( segid " " and resid 60 and name HD1 )) (( segid " " and resid 55 and name HB1 )) ASSI { 1126} (( segid " " and resid 28 and name HG )) ( segid " " and resid 28 and name HD2%) 1.900 0.500 0.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.20893E-01 ppm1 1.637 ppm2 0.803 CV 1 OR { 1126} (( segid " " and resid 28 and name HG )) ( segid " " and resid 28 and name HD1%) OR { 1126} (( segid " " and resid 43 and name HG )) ( segid " " and resid 43 and name HD2%) ASSI { 1127} (( segid " " and resid 28 and name HG )) (( segid " " and resid 27 and name HA2 )) 3.100 1.200 1.200 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 1.639 ppm2 3.989 CV 1 OR { 1127} (( segid " " and resid 28 and name HG )) (( segid " " and resid 27 and name HA1 )) OR { 1127} (( segid " " and resid 43 and name HG )) (( segid " " and resid 42 and name HA )) ASSI { 1128} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 86 and name HB2 )) 3.100 1.200 1.200 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.85562E-02 ppm1 1.637 ppm2 1.849 CV 1 OR { 1128} (( segid " " and resid 28 and name HG )) (( segid " " and resid 25 and name HB )) ASSI { 1134} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 67 and name HA1 )) 3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.23636E-02 ppm1 1.406 ppm2 3.948 CV 1 OR { 1134} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 66 and name HA1 )) ASSI { 1144} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HA )) 3.600 1.600 1.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.14179E-02 ppm1 0.975 ppm2 4.091 CV 1 OR { 1144} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 11 and name HA )) ASSI { 1147} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 15 and name HD1%) 3.000 3.000 3.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 0.636 ppm2 0.922 CV 1 OR { 1147} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 18 and name HG2%) OR { 1147} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 15 and name HG2%) ASSI { 1149} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 155 and name HD% ) 2.900 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.25963E-02 ppm1 0.556 ppm2 7.210 CV 1 OR { 1149} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 151 and name HD21)) ASSI { 1151} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 155 and name HB2 )) 3.300 3.300 2.700 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.19455E-02 ppm1 0.553 ppm2 2.841 CV 1 OR { 1151} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 90 and name HB1 )) ASSI { 1152} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 101 and name HB1 )) 3.600 3.600 2.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.14209E-02 ppm1 0.551 ppm2 2.596 CV 1 OR { 1152} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 155 and name HB1 )) ASSI { 1179} (( segid " " and resid 84 and name HG )) (( segid " " and resid 84 and name HB2 )) 2.600 0.800 0.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.28322E-02 ppm1 1.603 ppm2 1.756 CV 1 OR { 1179} (( segid " " and resid 86 and name HG )) (( segid " " and resid 88 and name HB1 )) OR { 1179} (( segid " " and resid 28 and name HG )) (( segid " " and resid 25 and name HB )) ASSI { 1182} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HG1 )) 1.700 0.400 0.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.10176E-01 ppm1 1.393 ppm2 1.609 CV 1 OR { 1182} (( segid " " and resid 91 and name HG1 )) (( segid " " and resid 91 and name HD2 )) OR { 1182} (( segid " " and resid 91 and name HG1 )) (( segid " " and resid 91 and name HD1 )) ASSI { 1185} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.32073E-02 ppm1 1.146 ppm2 0.940 CV 1 OR { 1185} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB1 )) OR { 1185} (( segid " " and resid 10 and name HG2 )) ( segid " " and resid 100 and name HD1%) ASSI { 1186} ( segid " " and resid 97 and name HD2%) ( segid " " and resid 98 and name HB% ) 3.200 3.200 2.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.27001E-02 ppm1 0.990 ppm2 1.317 CV 1 OR { 1186} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 131 and name HD2 )) OR { 1186} ( segid " " and resid 97 and name HD2%) ( segid " " and resid 143 and name HB% ) OR { 1186} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 59 and name HG2 )) OR { 1186} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 89 and name HG )) OR { 1186} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 59 and name HG1 )) ASSI { 1188} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HA )) 3.100 1.200 1.200 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.19975E-02 ppm1 0.980 ppm2 3.989 CV 1 OR { 1188} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 11 and name HB2 )) ASSI { 1193} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HG )) 2.000 2.000 4.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.14074E-01 ppm1 0.964 ppm2 1.618 CV 1 OR { 1193} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 14 and name HB% ) ASSI { 1194} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 61 and name HD1%) 2.300 2.300 3.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.13392E-01 ppm1 0.970 ppm2 0.508 CV 1 OR { 1194} ( segid " " and resid 97 and name HD2%) ( segid " " and resid 61 and name HD1%) OR { 1194} ( segid " " and resid 97 and name HD2%) ( segid " " and resid 102 and name HD1%) ASSI { 1198} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG )) 2.000 0.500 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.14074E-01 ppm1 0.965 ppm2 1.487 CV 1 OR { 1198} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HB1 )) OR { 1198} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HG1 )) ASSI { 1204} ( segid " " and resid 28 and name HD2%) ( segid " " and resid 29 and name HE% ) 2.600 2.600 3.400 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.18625E-02 ppm1 0.843 ppm2 6.711 CV 1 OR { 1204} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 155 and name HE% ) ASSI { 1205} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.14940E-02 ppm1 0.843 ppm2 4.082 CV 1 OR { 1205} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 11 and name HA )) ASSI { 1210} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 102 and name HD1%) 2.800 2.800 3.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.50141E-02 ppm1 0.835 ppm2 0.525 CV 1 OR { 1210} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 71 and name HG1%) ASSI { 1219} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 64 and name HD2 )) 2.700 0.900 0.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.41628E-02 ppm1 0.993 ppm2 3.024 CV 1 OR { 1219} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 10 and name HE1 )) OR { 1219} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 10 and name HE2 )) ASSI { 1222} (( segid " " and resid 38 and name HG )) (( segid " " and resid 38 and name HN )) 2.600 2.600 3.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.20536E-02 ppm1 0.989 ppm2 7.857 CV 1 OR { 1222} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 87 and name HN )) ASSI { 1227} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 10 and name HG2 )) 2.400 2.400 3.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.37297E-02 ppm1 0.881 ppm2 1.166 CV 1 OR { 1227} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 106 and name HB% ) ASSI { 1245} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 60 and name HN )) 3.800 1.800 1.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.14885E-02 ppm1 1.276 ppm2 8.243 CV 1 OR { 1245} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 89 and name HN )) OR { 1245} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 60 and name HN )) OR { 1245} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 60 and name HN )) OR { 1245} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 89 and name HN )) ASSI { 1246} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HA )) 3.300 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.20802E-02 ppm1 1.271 ppm2 4.763 CV 1 OR { 1246} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HA )) OR { 1246} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HA )) ASSI { 1250} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HD1 )) 2.300 0.700 0.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.69169E-02 ppm1 1.264 ppm2 1.654 CV 1 OR { 1250} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 152 and name HB1 )) OR { 1250} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 152 and name HB1 )) OR { 1250} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HD2 )) OR { 1250} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB1 )) OR { 1250} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB1 )) ASSI { 1251} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 60 and name HG1 )) 2.900 2.900 3.100 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.36842E-02 ppm1 1.258 ppm2 0.775 CV 1 OR { 1251} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 60 and name HG1 )) OR { 1251} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 60 and name HG2 )) ASSI { 1252} (( segid " " and resid 152 and name HG1 )) (( segid " " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.24338E-02 ppm1 1.250 ppm2 2.191 CV 1 OR { 1252} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB2 )) OR { 1252} (( segid " " and resid 152 and name HG2 )) (( segid " " and resid 54 and name HB2 )) OR { 1252} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1264} (( segid " " and resid 102 and name HG )) (( segid " " and resid 101 and name HA )) 3.700 1.700 1.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.12870E-02 ppm1 1.510 ppm2 4.793 CV 1 OR { 1264} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HA )) ASSI { 1265} (( segid " " and resid 102 and name HG )) ( segid " " and resid 134 and name HB% ) 2.900 2.900 3.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.38979E-02 ppm1 1.510 ppm2 1.056 CV 1 OR { 1265} (( segid " " and resid 102 and name HG )) ( segid " " and resid 97 and name HD1%) OR { 1265} (( segid " " and resid 100 and name HG )) ( segid " " and resid 134 and name HB% ) ASSI { 1273} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 59 and name HB2 )) 2.700 2.700 3.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.10235E-01 ppm1 1.136 ppm2 2.191 CV 1 OR { 1273} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 59 and name HB2 )) OR { 1273} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 157 and name HG2 )) OR { 1273} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 157 and name HG1 )) OR { 1273} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 157 and name HG2 )) ASSI { 1277} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 86 and name HN )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.41239E-02 ppm1 1.087 ppm2 9.171 CV 1 OR { 1277} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 86 and name HN )) ASSI { 1284} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 63 and name HB1 )) 3.800 1.800 1.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 1.090 ppm2 2.580 CV 1 OR { 1284} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 63 and name HB1 )) OR { 1284} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 155 and name HB1 )) ASSI { 1285} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 64 and name HG1 )) 2.000 0.500 0.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.64658E-02 ppm1 1.083 ppm2 1.584 CV 1 OR { 1285} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 61 and name HB )) OR { 1285} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 61 and name HB )) OR { 1285} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 64 and name HG1 )) ASSI { 1288} (( segid " " and resid 38 and name HG )) (( segid " " and resid 73 and name HB1 )) 3.000 1.200 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.19998E-02 ppm1 0.969 ppm2 2.130 CV 1 OR { 1288} (( segid " " and resid 38 and name HG )) (( segid " " and resid 73 and name HB2 )) OR { 1288} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 68 and name HB2 )) ASSI { 1297} (( segid " " and resid 100 and name HG )) (( segid " " and resid 10 and name HB1 )) 2.600 2.600 3.400 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.18766E-02 ppm1 1.533 ppm2 0.900 CV 1 OR { 1297} (( segid " " and resid 102 and name HG )) ( segid " " and resid 18 and name HG2%) ASSI { 1305} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 89 and name HG )) 2.800 2.800 3.200 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.29119E-02 ppm1 1.004 ppm2 1.263 CV 1 OR { 1305} (( segid " " and resid 38 and name HG )) ( segid " " and resid 41 and name HG2%) OR { 1305} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 131 and name HD2 )) ASSI { 1311} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 152 and name HB2 )) 2.900 2.900 3.100 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.44833E-02 ppm1 0.911 ppm2 1.786 CV 1 OR { 1311} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 50 and name HB1 )) OR { 1311} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 157 and name HB2 )) OR { 1311} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HD2 )) ASSI { 1312} ( segid " " and resid 18 and name HG2%) ( segid " " and resid 21 and name HB% ) 2.700 2.700 3.300 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.96922E-02 ppm1 0.910 ppm2 1.480 CV 1 OR { 1312} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 88 and name HG2 )) OR { 1312} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 88 and name HG1 )) OR { 1312} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 86 and name HB1 )) ASSI { 1339} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 96 and name HB1 )) 3.100 1.200 1.200 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.17833E-02 ppm1 1.033 ppm2 3.890 CV 1 OR { 1339} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 67 and name HA1 )) ASSI { 1343} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 88 and name HH22)) 3.500 1.600 1.600 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.23704E-02 ppm1 1.092 ppm2 7.275 CV 1 OR { 1343} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 88 and name HH22)) OR { 1343} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 88 and name HH21)) OR { 1343} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 88 and name HH21)) OR { 1343} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 67 and name HN )) ASSI { 1345} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 152 and name HA )) 3.100 3.100 2.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.51659E-02 ppm1 1.089 ppm2 4.773 CV 1 OR { 1345} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 152 and name HA )) OR { 1345} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 152 and name HA )) ASSI { 1347} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 88 and name HB2 )) 3.000 1.100 1.100 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.17565E-02 ppm1 1.095 ppm2 2.086 CV 1 OR { 1347} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 68 and name HB2 )) OR { 1347} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 88 and name HB2 )) ASSI { 1348} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 68 and name HB1 )) 2.500 2.500 3.500 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.13088E-02 ppm1 1.092 ppm2 1.995 CV 1 OR { 1348} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 68 and name HB1 )) ASSI { 1359} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 60 and name HE1 )) 3.000 1.100 1.100 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.20877E-02 ppm1 1.032 ppm2 3.471 CV 1 OR { 1359} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 60 and name HE2 )) OR { 1359} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 60 and name HE2 )) ASSI { 1362} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 60 and name HB2 )) 2.400 2.400 3.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.10400E-01 ppm1 1.032 ppm2 1.656 CV 1 OR { 1362} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 86 and name HG )) OR { 1362} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 60 and name HB1 )) OR { 1362} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 60 and name HB2 )) OR { 1362} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 60 and name HB1 )) ASSI { 1368} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 40 and name HA )) 2.400 2.400 3.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.77593E-02 ppm1 0.791 ppm2 4.095 CV 1 OR { 1368} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 72 and name HA2 )) OR { 1368} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 48 and name HA )) OR { 1368} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 48 and name HA )) OR { 1368} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 73 and name HD1 )) ASSI { 1370} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 43 and name HD1%) 2.000 2.000 4.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.25999E-01 ppm1 0.782 ppm2 0.922 CV 1 OR { 1370} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 42 and name HD1%) ASSI { 1389} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 119 and name HG12)) 3.400 1.400 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.12847E-02 ppm1 0.565 ppm2 1.565 CV 1 OR { 1389} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 113 and name HB )) OR { 1389} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HB1 )) ASSI { 1390} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 119 and name HG11)) 2.000 2.000 4.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.33256E-02 ppm1 0.563 ppm2 1.128 CV 1 OR { 1390} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 129 and name HB% ) OR { 1390} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 120 and name HG2%) ASSI { 1392} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 93 and name HN )) 3.400 1.400 1.400 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.25804E-02 ppm1 0.288 ppm2 8.297 CV 1 OR { 1392} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 89 and name HN )) ASSI { 1403} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 88 and name HG2 )) 2.900 2.900 3.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.18524E-02 ppm1 0.285 ppm2 1.430 CV 1 OR { 1403} ( segid " " and resid 89 and name HD2%) ( segid " " and resid 92 and name HB% ) OR { 1403} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 91 and name HG1 )) ASSI { 1408} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 83 and name HD% ) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.37079E-02 ppm1 0.021 ppm2 6.770 CV 1 OR { 1408} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 156 and name HD% ) ASSI { 1414} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 116 and name HG2 )) 2.900 2.900 3.100 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 0.021 ppm2 1.459 CV 1 OR { 1414} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 86 and name HB1 )) ASSI { 1415} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 154 and name HG2%) 3.600 3.600 2.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.17592E-02 ppm1 0.017 ppm2 1.166 CV 1 OR { 1415} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 116 and name HB2 )) ASSI { 1416} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 116 and name HB1 )) 3.300 3.300 2.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.21587E-02 ppm1 0.022 ppm2 0.936 CV 1 OR { 1416} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 84 and name HD1%) OR { 1416} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 84 and name HD2%) OR { 1416} ( segid " " and resid 62 and name HG2%) ( segid " " and resid 61 and name HG2%) ASSI { 1424} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 157 and name HB1 )) 2.800 2.800 3.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.50760E-02 ppm1 1.373 ppm2 1.654 CV 1 OR { 1424} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 102 and name HB1 )) OR { 1424} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 43 and name HG )) OR { 1424} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 84 and name HG )) OR { 1424} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 102 and name HB2 )) OR { 1424} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 157 and name HB1 )) ASSI { 1428} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 44 and name HD2%) 2.400 2.400 3.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.15846E-01 ppm1 1.313 ppm2 0.775 CV 1 OR { 1428} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 44 and name HD1%) OR { 1428} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 42 and name HG2%) ASSI { 1430} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HB )) 2.200 0.600 0.600 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.12824E-01 ppm1 1.307 ppm2 4.387 CV 1 OR { 1430} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 104 and name HB )) OR { 1430} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HA )) ASSI { 1431} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HA )) 2.700 2.700 3.300 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.76087E-02 ppm1 1.307 ppm2 3.987 CV 1 OR { 1431} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 105 and name HB2 )) OR { 1431} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 149 and name HA )) ASSI { 1434} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 38 and name HB1 )) 2.300 2.300 3.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.21753E-01 ppm1 1.304 ppm2 1.459 CV 1 OR { 1434} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 38 and name HB2 )) OR { 1434} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HB1 )) ASSI { 1438} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 154 and name HA )) 2.400 2.400 3.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.62598E-02 ppm1 1.221 ppm2 5.224 CV 1 OR { 1438} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 153 and name HA )) OR { 1438} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 126 and name HA )) ASSI { 1440} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HB1 )) 3.600 3.600 2.400 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.13541E-02 ppm1 1.222 ppm2 2.484 CV 1 OR { 1440} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 153 and name HB )) OR { 1440} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 55 and name HB1 )) ASSI { 1442} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 59 and name HG1 )) 2.400 2.400 3.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.13600E-01 ppm1 1.208 ppm2 1.361 CV 1 OR { 1442} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 116 and name HG1 )) OR { 1442} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 59 and name HG2 )) OR { 1442} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 143 and name HB% ) ASSI { 1447} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.37171E-02 ppm1 0.901 ppm2 4.003 CV 1 OR { 1447} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 17 and name HA )) OR { 1447} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 88 and name HA )) OR { 1447} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name HA )) OR { 1447} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 21 and name HA )) OR { 1447} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 20 and name HB2 )) OR { 1447} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 21 and name HA )) OR { 1447} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 20 and name HB1 )) ASSI { 1450} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 63 and name HB2 )) 3.300 1.300 1.300 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.25125E-02 ppm1 0.900 ppm2 2.862 CV 1 OR { 1450} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 117 and name HB1 )) OR { 1450} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 63 and name HB2 )) OR { 1450} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 63 and name HB2 )) OR { 1450} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 155 and name HB2 )) ASSI { 1455} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 42 and name HA )) 2.700 2.700 3.300 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.42402E-02 ppm1 0.818 ppm2 3.972 CV 1 OR { 1455} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name HA )) OR { 1455} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 142 and name HA )) OR { 1455} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 85 and name HB )) OR { 1455} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 139 and name HA )) OR { 1455} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HB1 )) ASSI { 1459} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 122 and name HA )) 2.900 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.19914E-02 ppm1 0.567 ppm2 4.544 CV 1 OR { 1459} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HA )) ASSI { 1462} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 104 and name HN )) 2.900 1.100 1.100 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.26505E-02 ppm1 1.344 ppm2 8.683 CV 1 OR { 1462} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 51 and name HN )) ASSI { 1463} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HB )) 2.200 0.600 0.600 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.11361E-01 ppm1 1.341 ppm2 4.436 CV 1 OR { 1463} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 104 and name HB )) ASSI { 1466} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.53681E-02 ppm1 1.315 ppm2 8.582 CV 1 OR { 1466} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HN )) ASSI { 1467} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HA )) 3.100 3.100 2.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.47543E-02 ppm1 1.314 ppm2 4.729 CV 1 OR { 1467} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 39 and name HA )) ASSI { 1470} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HB )) 2.000 0.500 0.500 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.20048E-01 ppm1 1.283 ppm2 4.339 CV 1 OR { 1470} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) OR { 1470} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HB )) ASSI { 1477} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HB1 )) 3.000 3.000 3.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.22287E-02 ppm1 1.270 ppm2 2.874 CV 1 OR { 1477} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 77 and name HB1 )) ASSI { 1483} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HB )) 2.200 0.600 0.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.12692E-01 ppm1 1.253 ppm2 4.339 CV 1 OR { 1483} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) ASSI { 1484} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 60 and name HD2 )) 2.900 2.900 3.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.21131E-02 ppm1 1.247 ppm2 1.703 CV 1 OR { 1484} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 79 and name HB% ) OR { 1484} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 135 and name HB )) ASSI { 1485} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.28199E-02 ppm1 1.231 ppm2 8.780 CV 1 OR { 1485} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 62 and name HN )) ASSI { 1489} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HB )) 2.100 0.600 0.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.12150E-01 ppm1 1.204 ppm2 4.095 CV 1 OR { 1489} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HA )) ASSI { 1490} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HN )) 3.800 1.800 1.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.13754E-02 ppm1 1.191 ppm2 8.048 CV 1 OR { 1490} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 155 and name HN )) ASSI { 1492} ( segid " " and resid 120 and name HG2%) ( segid " " and resid 113 and name HD1%) 1.900 1.900 4.100 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.66832E-02 ppm1 1.177 ppm2 0.678 CV 1 OR { 1492} ( segid " " and resid 154 and name HG2%) ( segid " " and resid 113 and name HD1%) OR { 1492} ( segid " " and resid 154 and name HG2%) ( segid " " and resid 102 and name HD2%) ASSI { 1493} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 60 and name HB1 )) 2.200 2.200 3.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.79458E-02 ppm1 1.176 ppm2 1.654 CV 1 OR { 1493} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 59 and name HB1 )) OR { 1493} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 64 and name HG1 )) OR { 1493} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 152 and name HB1 )) OR { 1493} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HB2 )) OR { 1493} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 60 and name HB1 )) ASSI { 1494} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 120 and name HN )) 2.800 1.000 1.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.30726E-02 ppm1 1.170 ppm2 8.385 CV 1 OR { 1494} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HN )) ASSI { 1500} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 53 and name HB2 )) 3.800 1.800 1.800 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 1.162 ppm2 3.850 CV 1 OR { 1500} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 119 and name HA )) ASSI { 1508} ( segid " " and resid 129 and name HB% ) (( segid " " and resid 128 and name HB2 )) 3.000 1.200 1.200 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.13335E-02 ppm1 1.126 ppm2 2.337 CV 1 OR { 1508} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 68 and name HG1 )) ASSI { 1511} ( segid " " and resid 129 and name HB% ) ( segid " " and resid 126 and name HB% ) 2.700 2.700 3.300 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.10150E-01 ppm1 1.104 ppm2 1.410 CV 1 OR { 1511} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 86 and name HB1 )) OR { 1511} ( segid " " and resid 129 and name HB% ) (( segid " " and resid 131 and name HD1 )) OR { 1511} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 64 and name HG2 )) OR { 1511} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HG1 )) ASSI { 1513} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 5 and name HB% ) 2.200 2.200 3.800 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.70782E-02 ppm1 1.033 ppm2 1.410 CV 1 OR { 1513} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 140 and name HB% ) OR { 1513} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 86 and name HB1 )) OR { 1513} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 64 and name HG2 )) OR { 1513} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HG1 )) OR { 1513} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HG2 )) ASSI { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 150 and name HA )) 3.400 3.400 2.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.18478E-02 ppm1 0.844 ppm2 4.583 CV 1 OR { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 61 and name HA )) OR { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 155 and name HA )) OR { 1519} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 47 and name HA )) OR { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 131 and name HA )) OR { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 154 and name HB )) OR { 1519} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 122 and name HA )) ASSI { 1520} ( segid " " and resid 111 and name HG1%) ( segid " " and resid 143 and name HB% ) 2.300 2.300 3.700 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.18697E-01 ppm1 0.844 ppm2 1.361 CV 1 OR { 1520} ( segid " " and resid 43 and name HD2%) ( segid " " and resid 48 and name HB% ) OR { 1520} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 131 and name HD1 )) ASSI { 1529} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HN )) 3.400 1.500 1.500 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 1.417 ppm2 8.878 CV 1 OR { 1529} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 128 and name HN )) ASSI { 1537} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 131 and name HB1 )) 2.300 2.300 3.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.99684E-02 ppm1 1.409 ppm2 1.556 CV 1 OR { 1537} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 107 and name HD1 )) OR { 1537} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 107 and name HD2 )) ASSI { 1546} ( segid " " and resid 48 and name HB% ) (( segid " " and resid 44 and name HB2 )) 2.500 2.500 3.500 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.21786E-02 ppm1 1.356 ppm2 1.903 CV 1 OR { 1546} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 44 and name HB2 )) OR { 1546} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 158 and name HB1 )) ASSI { 1547} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HG11)) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.31477E-02 ppm1 1.305 ppm2 1.654 CV 1 OR { 1547} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 44 and name HG )) OR { 1547} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 79 and name HB% ) OR { 1547} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HG12)) ASSI { 1549} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 54 and name HG2 )) 2.500 2.500 3.500 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 1.302 ppm2 2.093 CV 1 OR { 1549} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 54 and name HG1 )) OR { 1549} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 50 and name HG1 )) OR { 1549} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 50 and name HG2 )) ASSI { 1552} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HA )) 3.100 3.100 2.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.29959E-02 ppm1 1.185 ppm2 4.729 CV 1 OR { 1552} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 77 and name HA )) ASSI { 1561} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 137 and name HA )) 2.400 2.400 3.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.10484E-01 ppm1 1.033 ppm2 3.997 CV 1 OR { 1561} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 149 and name HA )) ASSI { 1563} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 128 and name HG1 )) 2.600 2.600 3.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.13492E-02 ppm1 1.025 ppm2 2.435 CV 1 OR { 1563} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 58 and name HB1 )) ASSI { 1568} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HN )) 3.200 1.300 1.300 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.15001E-02 ppm1 0.975 ppm2 8.883 CV 1 OR { 1568} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 128 and name HN )) ASSI { 1569} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 127 and name HA )) 2.500 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.47996E-02 ppm1 0.972 ppm2 4.778 CV 1 OR { 1569} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HA )) ASSI { 1572} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 19 and name HN )) 3.200 3.200 2.800 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 0.873 ppm2 8.592 CV 1 OR { 1572} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 113 and name HN )) ASSI { 1574} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.38045E-02 ppm1 0.870 ppm2 4.003 CV 1 OR { 1574} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 129 and name HA )) OR { 1574} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name HA )) OR { 1574} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 21 and name HA )) OR { 1574} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 42 and name HA )) OR { 1574} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 142 and name HA )) OR { 1574} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 20 and name HB1 )) OR { 1574} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 139 and name HA )) ASSI { 1576} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 18 and name HB )) 2.200 0.600 0.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.10312E-01 ppm1 0.874 ppm2 2.100 CV 1 OR { 1576} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 50 and name HG1 )) ASSI { 1577} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 2.200 2.200 3.800 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.13082E-01 ppm1 0.868 ppm2 1.409 CV 1 OR { 1577} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) OR { 1577} ( segid " " and resid 111 and name HG1%) ( segid " " and resid 126 and name HB% ) ASSI { 1596} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 116 and name HG2 )) 3.300 1.400 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 1.219 ppm2 1.459 CV 1 OR { 1596} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 131 and name HG2 )) OR { 1596} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 131 and name HG1 )) ASSI { 1598} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 102 and name HD1%) 2.500 2.500 3.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.69135E-02 ppm1 1.127 ppm2 0.557 CV 1 OR { 1598} ( segid " " and resid 129 and name HB% ) ( segid " " and resid 130 and name HB% ) ASSI { 1599} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HB )) 2.000 0.500 0.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.18949E-01 ppm1 1.031 ppm2 4.534 CV 1 OR { 1599} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 150 and name HA )) ASSI { 1600} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 150 and name HN )) 3.100 1.200 1.200 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 1.033 ppm2 7.030 CV 1 OR { 1600} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 100 and name HN )) ASSI { 1602} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.13450E-02 ppm1 0.978 ppm2 3.492 CV 1 OR { 1602} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 152 and name HE1 )) OR { 1602} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 152 and name HE2 )) ASSI { 1603} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 98 and name HB% ) 2.700 2.700 3.300 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.44321E-02 ppm1 0.978 ppm2 1.361 CV 1 OR { 1603} ( segid " " and resid 111 and name HG2%) ( segid " " and resid 143 and name HB% ) ASSI { 1604} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 112 and name HD21)) 3.400 1.400 1.400 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 0.973 ppm2 7.560 CV 1 OR { 1604} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HD21)) ASSI { 1605} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 112 and name HD22)) 3.300 1.400 1.400 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.18987E-02 ppm1 0.973 ppm2 7.072 CV 1 OR { 1605} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HD22)) ASSI { 1639} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 106 and name HN )) 2.200 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.75895E-02 ppm1 1.126 ppm2 7.249 CV 1 OR { 1639} ( segid " " and resid 153 and name HG2%) ( segid " " and resid 155 and name HD% ) ASSI { 1641} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 106 and name HA )) 2.000 0.500 0.500 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.97541E-02 ppm1 1.126 ppm2 4.902 CV 1 OR { 1641} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 157 and name HA )) ASSI { 1642} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 157 and name HB1 )) 2.200 0.600 0.600 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.99211E-02 ppm1 1.130 ppm2 1.642 CV 1 OR { 1642} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 102 and name HB1 )) OR { 1642} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 102 and name HB2 )) ASSI { 1667} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HA )) 2.700 2.700 3.300 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.74422E-02 ppm1 1.453 ppm2 4.387 CV 1 OR { 1667} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 22 and name HA )) ASSI { 1668} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HN )) 2.600 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.45747E-02 ppm1 1.445 ppm2 8.390 CV 1 OR { 1668} ( segid " " and resid 5 and name HB% ) (( segid " " and resid 5 and name HN )) OR { 1668} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 25 and name HN )) ASSI { 1670} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 137 and name HB2 )) 2.300 2.300 3.700 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.21555E-02 ppm1 1.440 ppm2 2.435 CV 1 OR { 1670} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 17 and name HB1 )) OR { 1670} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 17 and name HG2 )) OR { 1670} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 127 and name HB1 )) OR { 1670} ( segid " " and resid 5 and name HB% ) (( segid " " and resid 12 and name HG1 )) ASSI { 1672} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 137 and name HB1 )) 2.100 2.100 3.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.66686E-02 ppm1 1.438 ppm2 1.947 CV 1 OR { 1672} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 28 and name HB2 )) ASSI { 1674} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 137 and name HD2 )) 3.400 1.400 1.400 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.21501E-02 ppm1 1.403 ppm2 2.288 CV 1 OR { 1674} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 139 and name HG2 )) OR { 1674} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 139 and name HG1 )) OR { 1674} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 139 and name HG2 )) ASSI { 1675} ( segid " " and resid 140 and name HB% ) (( segid " " and resid 139 and name HB1 )) 2.900 1.100 1.100 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.49746E-02 ppm1 1.405 ppm2 1.849 CV 1 OR { 1675} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 91 and name HB1 )) OR { 1675} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 139 and name HB1 )) ASSI { 1680} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 107 and name HN )) 2.400 0.700 0.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.37733E-02 ppm1 1.114 ppm2 9.415 CV 1 OR { 1680} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 154 and name HN )) ASSI { 1687} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 60 and name HN )) 2.300 2.300 3.700 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 1.106 ppm2 8.243 CV 1 OR { 1687} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 60 and name HN )) OR { 1687} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 18 and name HN )) ASSI { 1688} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 94 and name HA )) 2.300 2.300 3.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 1.108 ppm2 3.802 CV 1 OR { 1688} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 94 and name HA )) OR { 1688} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 132 and name HB1 )) OR { 1688} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 53 and name HB2 )) ASSI { 1696} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 90 and name HN )) 2.000 0.500 0.500 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.12518E-01 ppm1 0.556 ppm2 8.318 CV 1 OR { 1696} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 93 and name HN )) ASSI { 1715} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 141 and name HN )) 2.200 0.600 0.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.98463E-02 ppm1 1.476 ppm2 8.097 CV 1 OR { 1715} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HN )) ASSI { 1716} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.55916E-02 ppm1 1.472 ppm2 8.341 CV 1 OR { 1716} ( segid " " and resid 5 and name HB% ) (( segid " " and resid 6 and name HN )) OR { 1716} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 25 and name HN )) ASSI { 1724} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 97 and name HN )) 3.700 1.700 1.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.13890E-02 ppm1 1.342 ppm2 8.048 CV 1 OR { 1724} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 141 and name HN )) OR { 1724} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 141 and name HN )) ASSI { 1726} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 143 and name HA )) 2.000 0.500 0.500 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16572E-01 ppm1 1.344 ppm2 4.046 CV 1 OR { 1726} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 98 and name HA )) ASSI { 1728} ( segid " " and resid 143 and name HB% ) ( segid " " and resid 111 and name HG1%) 1.600 1.600 4.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.27392E-01 ppm1 1.347 ppm2 0.824 CV 1 OR { 1728} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 135 and name HD1%) OR { 1728} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 100 and name HD2%) ASSI { 1737} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 92 and name HA )) 3.200 3.200 2.800 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.54721E-02 ppm1 0.562 ppm2 4.027 CV 1 OR { 1737} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 72 and name HA2 )) OR { 1737} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 96 and name HA )) ASSI { 1753} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HA )) 2.100 0.500 0.500 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.16247E-01 ppm1 1.417 ppm2 3.997 CV 1 OR { 1753} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 92 and name HA )) ASSI { 1758} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 139 and name HG2 )) 2.500 2.500 3.500 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.68293E-02 ppm1 1.350 ppm2 2.240 CV 1 OR { 1758} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 139 and name HG1 )) OR { 1758} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 139 and name HG2 )) OR { 1758} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 137 and name HD2 )) OR { 1758} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 139 and name HG1 )) ASSI { 1759} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 139 and name HB2 )) 3.200 1.300 1.300 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.25250E-02 ppm1 1.343 ppm2 2.386 CV 1 OR { 1759} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 139 and name HB2 )) OR { 1759} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 137 and name HB2 )) ASSI { 1781} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 92 and name HN )) 2.200 0.600 0.600 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.11795E-01 ppm1 1.447 ppm2 8.048 CV 1 OR { 1781} ( segid " " and resid 141 and name HB% ) (( segid " " and resid 141 and name HN )) OR { 1781} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HN )) ASSI { 1798} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 119 and name HG11)) 2.900 1.000 1.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.47936E-02 ppm1 0.590 ppm2 1.170 CV 1 OR { 1798} ( segid " " and resid 113 and name HG2%) ( segid " " and resid 154 and name HG2%) ASSI { 1873} ( segid " " and resid 15 and name HD1%) ( segid " " and resid 104 and name HG2%) 3.000 3.000 3.000 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 0.942 ppm2 1.361 CV 1 OR { 1873} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 46 and name HG2%) OR { 1873} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 158 and name HG2 )) OR { 1873} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 135 and name HG12)) OR { 1873} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 158 and name HG1 )) OR { 1873} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 48 and name HB% ) ASSI { 1874} ( segid " " and resid 15 and name HD1%) ( segid " " and resid 102 and name HD1%) 3.500 1.500 1.500 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.27506E-02 ppm1 0.916 ppm2 0.580 CV 1 OR { 1874} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 71 and name HG1%) OR { 1874} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 93 and name HB% ) ASSI { 1876} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.57677E-02 ppm1 0.880 ppm2 4.046 CV 1 OR { 1876} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 96 and name HA )) OR { 1876} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 92 and name HA )) OR { 1876} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 96 and name HA )) OR { 1876} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 98 and name HA )) ASSI { 1887} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 129 and name HA )) 2.300 0.700 0.700 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.63065E-02 ppm1 0.655 ppm2 4.092 CV 1 OR { 1887} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 110 and name HA1 )) ASSI { 1890} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 112 and name HB1 )) 3.500 3.500 2.500 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 0.651 ppm2 3.021 CV 1 OR { 1890} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 109 and name HB2 )) ASSI { 1891} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 119 and name HG11)) 3.000 3.000 3.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.45418E-02 ppm1 0.651 ppm2 1.164 CV 1 OR { 1891} ( segid " " and resid 113 and name HD1%) ( segid " " and resid 120 and name HG2%) OR { 1891} ( segid " " and resid 113 and name HD1%) ( segid " " and resid 154 and name HG2%) ASSI { 1904} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 41 and name HG2%) 2.300 2.300 3.700 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.28563E-02 ppm1 0.912 ppm2 1.263 CV 1 OR { 1904} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 91 and name HG2 )) OR { 1904} ( segid " " and resid 95 and name HG1%) ( segid " " and resid 136 and name HG2%) OR { 1904} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 147 and name HG2%) OR { 1904} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 136 and name HG2%) ASSI { 1911} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 46 and name HB )) 3.100 3.100 2.900 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 0.777 ppm2 4.407 CV 1 OR { 1911} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 50 and name HA )) ASSI { 1912} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 0.777 ppm2 4.054 CV 1 OR { 1912} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 72 and name HA2 )) ASSI { 1930} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 118 and name HN )) 2.500 2.500 3.500 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 0.588 ppm2 8.097 CV 1 OR { 1930} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 130 and name HN )) ASSI { 1979} (( segid " " and resid 137 and name HA )) ( segid " " and resid 140 and name HB% ) 2.600 0.900 0.900 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.46077E-02 ppm1 4.010 ppm2 1.410 CV 1 OR { 1979} (( segid " " and resid 137 and name HA )) ( segid " " and resid 138 and name HB% ) ASSI { 2003} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG1 )) 3.200 1.300 1.300 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.20213E-02 ppm1 4.359 ppm2 1.599 CV 1 OR { 2003} (( segid " " and resid 56 and name HA )) (( segid " " and resid 152 and name HD2 )) OR { 2003} (( segid " " and resid 64 and name HA )) (( segid " " and resid 86 and name HG )) ASSI { 2010} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HB2 )) 3.500 1.500 1.500 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.16838E-02 ppm1 4.246 ppm2 3.997 CV 1 OR { 2010} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 2010} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 11 and name HB1 )) OR { 2010} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 2010} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 2010} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 8 and name HB1 )) OR { 2010} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 8 and name HB2 )) OR { 2010} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 8 and name HB1 )) ASSI { 2030} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 33 and name HB )) 1.900 1.900 4.100 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.88011E-02 ppm1 3.990 ppm2 4.418 CV 1 OR { 2030} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 33 and name HB )) OR { 2030} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 78 and name HB )) OR { 2030} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 78 and name HB )) OR { 2030} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 79 and name HA )) ASSI { 2033} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 93 and name HN )) 2.500 2.500 3.500 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.15514E-02 ppm1 3.911 ppm2 8.292 CV 1 OR { 2033} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 93 and name HN )) OR { 2033} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 6 and name HN )) OR { 2033} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 101 and name HN )) OR { 2033} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 101 and name HN )) ASSI { 2041} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 99 and name HG2%) 3.500 1.600 1.600 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.18025E-02 ppm1 4.312 ppm2 1.003 CV 1 OR { 2041} (( segid " " and resid 147 and name HA )) ( segid " " and resid 150 and name HG2%) OR { 2041} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 99 and name HG2%) ASSI { 2049} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.600 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.45312E-02 ppm1 3.984 ppm2 4.401 CV 1 OR { 2049} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HA )) OR { 2049} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) OR { 2049} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 2052} (( segid " " and resid 42 and name HA )) (( segid " " and resid 50 and name HB1 )) 3.100 3.100 2.900 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.35086E-02 ppm1 4.008 ppm2 1.800 CV 1 OR { 2052} (( segid " " and resid 42 and name HA )) (( segid " " and resid 71 and name HB )) OR { 2052} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 50 and name HB1 )) OR { 2052} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 50 and name HB1 )) OR { 2052} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 25 and name HB )) ASSI { 2053} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 46 and name HG2%) 3.100 3.100 2.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.22245E-02 ppm1 3.945 ppm2 1.410 CV 1 OR { 2053} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 46 and name HG2%) OR { 2053} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 48 and name HB% ) OR { 2053} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 48 and name HB% ) ASSI { 2059} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 100 and name HD2%) 3.700 1.700 1.700 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 3.884 ppm2 0.873 CV 1 OR { 2059} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 95 and name HG1%) OR { 2059} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 95 and name HG1%) OR { 2059} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 95 and name HG2%) OR { 2059} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 10 and name HB1 )) OR { 2059} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 43 and name HD1%) OR { 2059} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 43 and name HD1%) ASSI { 2067} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) 2.300 0.700 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.10833E-01 ppm1 4.307 ppm2 1.247 CV 1 OR { 2067} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HG2%) ASSI { 2075} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.47503E-02 ppm1 4.070 ppm2 4.557 CV 1 OR { 2075} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 13 and name HA )) OR { 2075} (( segid " " and resid 96 and name HA )) (( segid " " and resid 99 and name HB )) ASSI { 2076} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB )) 3.100 1.200 1.200 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.19664E-02 ppm1 4.069 ppm2 2.184 CV 1 OR { 2076} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 19 and name HB1 )) OR { 2076} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 19 and name HB1 )) OR { 2076} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 2076} (( segid " " and resid 96 and name HA )) (( segid " " and resid 100 and name HB2 )) OR { 2076} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HB2 )) OR { 2076} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HB2 )) OR { 2076} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HB2 )) OR { 2076} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HB1 )) ASSI { 2078} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.16984E-02 ppm1 4.071 ppm2 3.510 CV 1 OR { 2078} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HA )) OR { 2078} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HA )) OR { 2078} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HA )) ASSI { 2079} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB )) 2.500 0.800 0.800 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.66878E-02 ppm1 4.065 ppm2 1.982 CV 1 OR { 2079} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB2 )) OR { 2079} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HB )) OR { 2079} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG11)) OR { 2079} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HB )) OR { 2079} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG12)) ASSI { 2080} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name HD1%) 2.300 0.700 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.72793E-02 ppm1 4.066 ppm2 0.962 CV 1 OR { 2080} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HD1%) ASSI { 2083} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB1 )) 3.100 1.200 1.200 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.27548E-02 ppm1 4.025 ppm2 1.441 CV 1 OR { 2083} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 24 and name HB% ) OR { 2083} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 24 and name HB% ) OR { 2083} (( segid " " and resid 23 and name HB1 )) ( segid " " and resid 24 and name HB% ) OR { 2083} (( segid " " and resid 23 and name HB1 )) ( segid " " and resid 22 and name HG2%) OR { 2083} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 21 and name HB% ) OR { 2083} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 21 and name HB% ) OR { 2083} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 24 and name HB% ) OR { 2083} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 22 and name HG2%) OR { 2083} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 49 and name HG11)) OR { 2083} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HB1 )) OR { 2083} (( segid " " and resid 23 and name HB1 )) ( segid " " and resid 21 and name HB% ) OR { 2083} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 21 and name HB% ) ASSI { 2089} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG12)) 2.700 0.900 0.900 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.49078E-02 ppm1 4.010 ppm2 1.676 CV 1 OR { 2089} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HG11)) OR { 2089} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG11)) OR { 2089} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HG12)) ASSI { 2096} (( segid " " and resid 23 and name HA )) ( segid " " and resid 22 and name HG2%) 3.800 1.800 1.800 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 4.250 ppm2 1.451 CV 1 OR { 2096} (( segid " " and resid 23 and name HA )) ( segid " " and resid 24 and name HB% ) ASSI { 2097} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 2.100 0.600 0.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.15151E-01 ppm1 4.234 ppm2 4.071 CV 1 OR { 2097} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) OR { 2097} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) OR { 2097} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) ASSI { 2101} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 25 and name HG2%) 3.300 3.300 2.700 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.40691E-02 ppm1 4.025 ppm2 0.552 CV 1 OR { 2101} (( segid " " and resid 23 and name HB1 )) ( segid " " and resid 25 and name HG2%) OR { 2101} (( segid " " and resid 96 and name HA )) ( segid " " and resid 93 and name HB% ) OR { 2101} (( segid " " and resid 42 and name HA )) ( segid " " and resid 71 and name HG1%) ASSI { 2102} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB )) 3.300 1.300 1.300 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 4.017 ppm2 1.996 CV 1 OR { 2102} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HG11)) OR { 2102} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 49 and name HB )) OR { 2102} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG11)) OR { 2102} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG12)) ASSI { 2104} (( segid " " and resid 33 and name HA )) (( segid " " and resid 77 and name HB2 )) 3.300 1.400 1.400 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 4.296 ppm2 3.118 CV 1 OR { 2104} (( segid " " and resid 99 and name HA )) (( segid " " and resid 101 and name HB2 )) ASSI { 2106} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.31027E-02 ppm1 4.229 ppm2 8.194 CV 1 OR { 2106} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2109} (( segid " " and resid 36 and name HA )) (( segid " " and resid 73 and name HB2 )) 3.000 1.100 1.100 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.21756E-02 ppm1 4.077 ppm2 2.195 CV 1 OR { 2109} (( segid " " and resid 36 and name HA )) (( segid " " and resid 73 and name HB1 )) OR { 2109} (( segid " " and resid 11 and name HA )) (( segid " " and resid 100 and name HB1 )) OR { 2109} (( segid " " and resid 11 and name HA )) (( segid " " and resid 100 and name HB2 )) OR { 2109} (( segid " " and resid 96 and name HA )) (( segid " " and resid 100 and name HB2 )) ASSI { 2110} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 148 and name HA )) 3.800 1.800 1.800 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.17383E-02 ppm1 3.913 ppm2 4.729 CV 1 OR { 2110} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 148 and name HA )) OR { 2110} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 58 and name HA )) ASSI { 2118} (( segid " " and resid 99 and name HA )) ( segid " " and resid 135 and name HD1%) 3.200 1.300 1.300 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.17144E-02 ppm1 4.292 ppm2 0.848 CV 1 OR { 2118} (( segid " " and resid 99 and name HA )) ( segid " " and resid 95 and name HG1%) ASSI { 2121} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.31471E-02 ppm1 3.828 ppm2 8.360 CV 1 OR { 2121} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 2122} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.21469E-02 ppm1 3.824 ppm2 8.166 CV 1 OR { 2122} (( segid " " and resid 10 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 2133} (( segid " " and resid 136 and name HA )) ( segid " " and resid 138 and name HB% ) 3.200 3.200 2.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.32757E-02 ppm1 3.959 ppm2 1.410 CV 1 OR { 2133} (( segid " " and resid 136 and name HA )) ( segid " " and resid 140 and name HB% ) ASSI { 2138} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG11)) 3.000 1.100 1.100 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.17598E-02 ppm1 3.876 ppm2 1.142 CV 1 OR { 2138} (( segid " " and resid 119 and name HA )) ( segid " " and resid 120 and name HG2%) ASSI { 2142} (( segid " " and resid 119 and name HA )) ( segid " " and resid 119 and name HG2%) 2.700 0.900 0.900 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.58915E-02 ppm1 3.831 ppm2 0.554 CV 1 OR { 2142} (( segid " " and resid 94 and name HA )) ( segid " " and resid 89 and name HD1%) OR { 2142} (( segid " " and resid 119 and name HA )) ( segid " " and resid 113 and name HG2%) ASSI { 2146} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG1 )) 3.100 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.47821E-02 ppm1 3.972 ppm2 1.996 CV 1 OR { 2146} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HG2 )) OR { 2146} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HG1 )) ASSI { 2157} (( segid " " and resid 19 and name HA )) ( segid " " and resid 18 and name HG2%) 3.100 1.200 1.200 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.41849E-02 ppm1 4.053 ppm2 0.910 CV 1 OR { 2157} (( segid " " and resid 19 and name HA )) ( segid " " and resid 18 and name HG1%) OR { 2157} (( segid " " and resid 17 and name HA )) ( segid " " and resid 18 and name HG2%) ASSI { 2158} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.100 1.200 1.200 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.18904E-02 ppm1 4.053 ppm2 8.409 CV 1 OR { 2158} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 2171} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HD% ) 3.000 1.100 1.100 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.19670E-02 ppm1 4.270 ppm2 7.311 CV 1 OR { 2171} (( segid " " and resid 35 and name HA )) ( segid " " and resid 29 and name HD% ) ASSI { 2190} (( segid " " and resid 128 and name HA )) ( segid " " and resid 111 and name HG2%) 3.600 1.600 1.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 3.808 ppm2 0.953 CV 1 OR { 2190} (( segid " " and resid 44 and name HA )) ( segid " " and resid 43 and name HD1%) ASSI { 2193} (( segid " " and resid 156 and name HA )) (( segid " " and resid 83 and name HA )) 3.000 3.000 3.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.22091E-02 ppm1 4.193 ppm2 5.503 CV 1 OR { 2193} (( segid " " and resid 156 and name HA )) (( segid " " and resid 63 and name HA )) OR { 2193} (( segid " " and resid 156 and name HA )) (( segid " " and resid 109 and name HA )) ASSI { 2204} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) 2.900 1.100 1.100 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 3.809 ppm2 7.621 CV 1 OR { 2204} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HE21)) ASSI { 2209} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HD1 )) 3.100 1.200 1.200 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 3.744 ppm2 1.263 CV 1 OR { 2209} (( segid " " and resid 59 and name HA )) (( segid " " and resid 89 and name HG )) OR { 2209} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HD2 )) ASSI { 2226} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 2.100 0.600 0.600 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 4.109 ppm2 8.286 CV 1 OR { 2226} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HN )) ASSI { 2232} (( segid " " and resid 79 and name HA )) (( segid " " and resid 76 and name HN )) 3.400 3.400 2.600 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 4.371 ppm2 7.857 CV 1 OR { 2232} (( segid " " and resid 52 and name HA )) (( segid " " and resid 87 and name HN )) ASSI { 2233} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 2.300 0.700 0.700 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.56128E-02 ppm1 4.371 ppm2 1.788 CV 1 OR { 2233} (( segid " " and resid 54 and name HA )) (( segid " " and resid 152 and name HB2 )) OR { 2233} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) ASSI { 2234} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HD2%) 2.600 0.800 0.800 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.71727E-02 ppm1 4.371 ppm2 1.014 CV 1 OR { 2234} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HD1%) OR { 2234} (( segid " " and resid 97 and name HA )) ( segid " " and resid 100 and name HD1%) ASSI { 2237} (( segid " " and resid 117 and name HA )) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 4.303 ppm2 3.802 CV 1 OR { 2237} (( segid " " and resid 112 and name HA )) (( segid " " and resid 128 and name HA )) ASSI { 2240} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB1 )) 2.500 0.800 0.800 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.42931E-02 ppm1 4.299 ppm2 3.021 CV 1 OR { 2240} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) ASSI { 2243} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HA2 )) 3.600 1.600 1.600 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.16906E-02 ppm1 4.219 ppm2 3.948 CV 1 OR { 2243} (( segid " " and resid 24 and name HA )) (( segid " " and resid 21 and name HA )) OR { 2243} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HA1 )) ASSI { 2245} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 3.979 ppm2 8.090 CV 1 OR { 2245} (( segid " " and resid 92 and name HA )) (( segid " " and resid 91 and name HN )) ASSI { 2246} (( segid " " and resid 14 and name HA )) ( segid " " and resid 100 and name HD2%) 2.900 2.900 3.100 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.64116E-02 ppm1 3.981 ppm2 0.824 CV 1 OR { 2246} (( segid " " and resid 14 and name HA )) ( segid " " and resid 18 and name HG1%) ASSI { 2247} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.30428E-02 ppm1 3.977 ppm2 8.667 CV 1 OR { 2247} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) ASSI { 2256} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HB% ) 2.100 0.500 0.500 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.15170E-01 ppm1 4.118 ppm2 1.410 CV 1 OR { 2256} (( segid " " and resid 138 and name HA )) ( segid " " and resid 138 and name HB% ) ASSI { 2258} (( segid " " and resid 92 and name HA )) ( segid " " and resid 95 and name HG2%) 2.900 1.000 1.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.49313E-02 ppm1 4.047 ppm2 0.873 CV 1 OR { 2258} (( segid " " and resid 143 and name HA )) ( segid " " and resid 111 and name HG1%) OR { 2258} (( segid " " and resid 14 and name HA )) ( segid " " and resid 100 and name HD2%) OR { 2258} (( segid " " and resid 14 and name HA )) ( segid " " and resid 18 and name HG2%) OR { 2258} (( segid " " and resid 92 and name HA )) ( segid " " and resid 95 and name HG1%) OR { 2258} (( segid " " and resid 98 and name HA )) ( segid " " and resid 95 and name HG1%) ASSI { 2261} (( segid " " and resid 14 and name HA )) (( segid " " and resid 10 and name HE2 )) 3.600 1.700 1.700 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.13688E-02 ppm1 4.026 ppm2 3.016 CV 1 OR { 2261} (( segid " " and resid 14 and name HA )) (( segid " " and resid 10 and name HE1 )) OR { 2261} (( segid " " and resid 92 and name HA )) (( segid " " and resid 90 and name HB2 )) ASSI { 2270} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB1 )) 3.600 1.600 1.600 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 3.978 ppm2 2.825 CV 1 OR { 2270} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HE2 )) OR { 2270} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 2270} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HE1 )) ASSI { 2273} (( segid " " and resid 93 and name HA )) (( segid " " and resid 92 and name HA )) 3.900 1.900 1.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.12273E-02 ppm1 3.804 ppm2 4.046 CV 1 OR { 2273} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HA )) ASSI { 2284} (( segid " " and resid 143 and name HA )) ( segid " " and resid 143 and name HB% ) 2.100 0.600 0.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.13103E-01 ppm1 4.063 ppm2 1.361 CV 1 OR { 2284} (( segid " " and resid 138 and name HA )) ( segid " " and resid 138 and name HB% ) OR { 2284} (( segid " " and resid 98 and name HA )) ( segid " " and resid 98 and name HB% ) ASSI { 2295} (( segid " " and resid 89 and name HA )) ( segid " " and resid 89 and name HD1%) 3.100 1.200 1.200 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.23580E-02 ppm1 4.189 ppm2 0.531 CV 1 OR { 2295} (( segid " " and resid 89 and name HA )) ( segid " " and resid 93 and name HB% ) ASSI { 2299} (( segid " " and resid 74 and name HA )) ( segid " " and resid 156 and name HE% ) 3.200 1.300 1.300 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.20701E-02 ppm1 3.837 ppm2 7.658 CV 1 OR { 2299} (( segid " " and resid 74 and name HA )) (( segid " " and resid 117 and name HD21)) ASSI { 2326} (( segid " " and resid 108 and name HA1 )) (( segid " " and resid 109 and name HN )) 2.800 1.000 1.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.31248E-02 ppm1 3.997 ppm2 8.780 CV 1 OR { 2326} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 81 and name HN )) ASSI { 2328} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 35 and name HE% ) 3.000 1.100 1.100 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.27829E-02 ppm1 4.004 ppm2 6.826 CV 1 OR { 2328} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 156 and name HD% ) ASSI { 2335} (( segid " " and resid 110 and name HA1 )) (( segid " " and resid 131 and name HD1 )) 4.200 2.200 1.800 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.13667E-02 ppm1 4.117 ppm2 1.387 CV 1 OR { 2335} (( segid " " and resid 110 and name HA1 )) ( segid " " and resid 126 and name HB% ) ASSI { 2347} (( segid " " and resid 103 and name HA1 )) (( segid " " and resid 104 and name HN )) 2.500 0.800 0.800 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.25676E-02 ppm1 3.894 ppm2 8.732 CV 1 OR { 2347} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 115 and name HN )) ASSI { 2360} (( segid " " and resid 72 and name HA1 )) (( segid " " and resid 72 and name HA2 )) 1.600 0.300 0.600 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.22033E-01 ppm1 3.809 ppm2 4.095 CV 1 OR { 2360} (( segid " " and resid 31 and name HA1 )) (( segid " " and resid 31 and name HA2 )) OR { 2360} (( segid " " and resid 72 and name HA1 )) (( segid " " and resid 73 and name HD1 )) ASSI { 2366} (( segid " " and resid 72 and name HA2 )) (( segid " " and resid 72 and name HA1 )) 1.900 0.400 0.400 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.79945E-02 ppm1 4.063 ppm2 3.802 CV 1 OR { 2366} (( segid " " and resid 31 and name HA2 )) (( segid " " and resid 31 and name HA1 )) ASSI { 2368} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.500 0.800 0.800 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.37137E-02 ppm1 3.913 ppm2 8.097 CV 1 OR { 2368} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 65 and name HN )) ASSI { 2370} (( segid " " and resid 72 and name HA1 )) ( segid " " and resid 84 and name HD2%) 3.900 1.900 1.900 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 3.807 ppm2 0.971 CV 1 OR { 2370} (( segid " " and resid 72 and name HA1 )) ( segid " " and resid 42 and name HD1%) OR { 2370} (( segid " " and resid 72 and name HA1 )) (( segid " " and resid 38 and name HG )) ASSI { 2373} (( segid " " and resid 67 and name HA1 )) (( segid " " and resid 88 and name HB1 )) 3.300 1.400 1.400 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.26600E-02 ppm1 3.907 ppm2 1.752 CV 1 OR { 2373} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 88 and name HB1 )) ASSI { 2413} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 82 and name HB1 )) 3.500 1.500 1.500 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.76038E-03 ppm1 6.843 ppm2 1.806 CV 1 OR { 2413} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 25 and name HB )) ASSI { 2416} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 38 and name HD2%) 3.800 1.800 1.800 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 2.409 ppm2 0.160 CV 1 OR { 2416} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 25 and name HD1%) ASSI { 2441} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 82 and name HA )) 4.000 2.000 2.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.58826E-03 ppm1 6.773 ppm2 5.117 CV 1 OR { 2441} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 62 and name HA )) ASSI { 2442} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 72 and name HA1 )) 3.200 1.300 1.300 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 6.419 ppm2 3.785 CV 1 OR { 2442} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 73 and name HG2 )) ASSI { 2448} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 117 and name HN )) 4.100 2.100 1.900 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.59173E-03 ppm1 6.422 ppm2 8.357 CV 1 OR { 2448} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 84 and name HN )) ASSI { 2466} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 153 and name HG2%) 3.800 1.800 1.800 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.72612E-03 ppm1 7.064 ppm2 1.138 CV 1 OR { 2466} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 153 and name HG1%) OR { 2466} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 106 and name HB% ) ASSI { 2468} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 102 and name HG )) 3.700 1.700 1.700 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.93313E-03 ppm1 6.863 ppm2 1.523 CV 1 OR { 2468} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 61 and name HB )) ASSI { 2482} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 62 and name HA )) 2.800 2.800 3.200 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.52710E-03 ppm1 7.200 ppm2 5.098 CV 1 OR { 2482} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 110 and name HA2 )) ASSI { 2492} ( segid " " and resid 65 and name HD% ) (( segid " " and resid 64 and name HB1 )) 4.400 2.400 1.600 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.62338E-03 ppm1 7.084 ppm2 0.992 CV 1 OR { 2492} ( segid " " and resid 65 and name HD% ) ( segid " " and resid 86 and name HD2%) ASSI { 2506} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 108 and name HA2 )) 4.500 2.500 1.500 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.53418E-03 ppm1 6.370 ppm2 4.201 CV 1 OR { 2506} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 108 and name HA2 )) ASSI { 2507} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 108 and name HA1 )) 3.400 1.500 1.500 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.68115E-03 ppm1 6.370 ppm2 4.000 CV 1 OR { 2507} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 107 and name HA )) ASSI { 2509} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 122 and name HB2 )) 4.100 2.100 1.900 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.95155E-03 ppm1 6.370 ppm2 2.793 CV 1 OR { 2509} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 80 and name HB1 )) OR { 2509} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 107 and name HE2 )) ASSI { 2513} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 107 and name HB1 )) 3.700 1.700 1.700 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 2.763 ppm2 1.019 CV 1 OR { 2513} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 69 and name HB1 )) OR { 2513} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 64 and name HB1 )) ASSI { 2515} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) 2.200 0.600 0.600 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.88475E-02 ppm1 4.563 ppm2 2.777 CV 1 OR { 2515} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) OR { 2515} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 2515} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 2515} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) OR { 2515} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) ASSI { 2518} (( segid " " and resid 122 and name HA )) (( segid " " and resid 121 and name HN )) 2.000 2.000 4.000 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.36667E-02 ppm1 4.550 ppm2 7.212 CV 1 OR { 2518} (( segid " " and resid 80 and name HA )) ( segid " " and resid 155 and name HD% ) ASSI { 2532} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 107 and name HD2 )) 3.600 1.600 1.600 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.65463E-03 ppm1 6.801 ppm2 1.534 CV 1 OR { 2532} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 116 and name HG2 )) OR { 2532} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 107 and name HD1 )) ASSI { 2534} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 62 and name HB )) 2.600 2.600 3.400 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.65514E-03 ppm1 6.800 ppm2 3.010 CV 1 OR { 2534} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 117 and name HB2 )) OR { 2534} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 118 and name HB2 )) ASSI { 2535} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 110 and name HA1 )) 3.200 3.200 2.800 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.52733E-03 ppm1 6.799 ppm2 4.076 CV 1 OR { 2535} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 22 and name HB )) OR { 2535} ( segid " " and resid 156 and name HD% ) (( segid " " and resid 19 and name HA )) ASSI { 2539} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 83 and name HB2 )) 4.200 2.300 1.800 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.55936E-03 ppm1 7.655 ppm2 2.336 CV 1 OR { 2539} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 156 and name HB2 )) ASSI { 2546} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) 3.600 1.700 1.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 4.188 ppm2 7.115 CV 1 OR { 2546} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HZ )) ASSI { 2566} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 100 and name HB1 )) 4.000 2.000 2.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.13063E-02 ppm1 1.661 ppm2 2.191 CV 1 OR { 2566} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 100 and name HB2 )) OR { 2566} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HB2 )) ASSI { 2570} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 38 and name HG )) 4.100 2.100 1.900 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.76574E-03 ppm1 7.335 ppm2 0.915 CV 1 OR { 2570} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 30 and name HD1%) ASSI { 2588} (( segid " " and resid 99 and name HB )) ( segid " " and resid 135 and name HD1%) 3.200 3.200 2.800 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.33946E-02 ppm1 4.519 ppm2 0.865 CV 1 OR { 2588} (( segid " " and resid 99 and name HB )) ( segid " " and resid 95 and name HG1%) ASSI { 2589} (( segid " " and resid 147 and name HB )) ( segid " " and resid 147 and name HG2%) 2.100 0.600 0.600 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.14520E-01 ppm1 4.456 ppm2 1.235 CV 1 OR { 2589} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) ASSI { 2596} (( segid " " and resid 62 and name HB )) (( segid " " and resid 116 and name HG2 )) 4.000 2.000 2.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.63882E-03 ppm1 3.019 ppm2 1.502 CV 1 OR { 2596} (( segid " " and resid 62 and name HB )) (( segid " " and resid 61 and name HB )) ASSI { 2643} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HA )) 3.900 1.900 1.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.11974E-02 ppm1 4.082 ppm2 4.729 CV 1 OR { 2643} (( segid " " and resid 96 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 2644} (( segid " " and resid 105 and name HA )) (( segid " " and resid 158 and name HB2 )) 3.200 1.200 1.200 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.29082E-02 ppm1 4.389 ppm2 1.699 CV 1 OR { 2644} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HB2 )) OR { 2644} (( segid " " and resid 105 and name HA )) (( segid " " and resid 157 and name HB2 )) ASSI { 2649} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 2.800 1.000 1.000 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.22073E-02 ppm1 3.974 ppm2 2.386 CV 1 OR { 2649} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 2649} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 2652} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HG11)) 3.400 1.500 1.500 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.15526E-02 ppm1 5.108 ppm2 1.095 CV 1 OR { 2652} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HG12)) OR { 2652} (( segid " " and resid 62 and name HA )) ( segid " " and resid 86 and name HD1%) ASSI { 2653} (( segid " " and resid 62 and name HA )) (( segid " " and resid 60 and name HD1 )) 3.800 1.800 1.800 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 5.110 ppm2 0.541 CV 1 OR { 2653} (( segid " " and resid 62 and name HA )) ( segid " " and resid 61 and name HD1%) ASSI { 2654} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HG2 )) 3.700 1.700 1.700 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 5.109 ppm2 1.410 CV 1 OR { 2654} (( segid " " and resid 62 and name HA )) (( segid " " and resid 86 and name HB1 )) ASSI { 2658} (( segid " " and resid 116 and name HA )) ( segid " " and resid 119 and name HG2%) 2.500 2.500 3.500 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.65337E-02 ppm1 3.634 ppm2 0.592 CV 1 OR { 2658} (( segid " " and resid 116 and name HA )) ( segid " " and resid 113 and name HG2%) ASSI { 2661} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HG12)) 3.200 3.200 2.800 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.32539E-02 ppm1 3.632 ppm2 1.556 CV 1 OR { 2661} (( segid " " and resid 116 and name HA )) (( segid " " and resid 113 and name HB )) ASSI { 2662} (( segid " " and resid 116 and name HA )) ( segid " " and resid 156 and name HD% ) 3.600 1.600 1.600 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 3.632 ppm2 6.779 CV 1 OR { 2662} (( segid " " and resid 116 and name HA )) ( segid " " and resid 83 and name HD% ) ASSI { 2663} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HB2 )) 4.100 2.200 1.900 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.83798E-03 ppm1 3.629 ppm2 3.028 CV 1 OR { 2663} (( segid " " and resid 116 and name HA )) (( segid " " and resid 118 and name HB2 )) ASSI { 2681} (( segid " " and resid 131 and name HD1 )) (( segid " " and resid 108 and name HA2 )) 3.900 1.900 1.900 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 1.423 ppm2 4.222 CV 1 OR { 2681} (( segid " " and resid 131 and name HD1 )) (( segid " " and resid 132 and name HB2 )) OR { 2681} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 89 and name HA )) ASSI { 2686} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 67 and name HA1 )) 3.800 1.800 1.800 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.66273E-03 ppm1 1.070 ppm2 3.961 CV 1 OR { 2686} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 66 and name HA1 )) ASSI { 2687} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 88 and name HB2 )) 3.800 1.800 1.800 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 1.065 ppm2 2.055 CV 1 OR { 2687} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 68 and name HB2 )) ASSI { 2690} (( segid " " and resid 119 and name HG11)) (( segid " " and resid 119 and name HA )) 3.300 1.400 1.400 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.77980E-03 ppm1 1.138 ppm2 3.858 CV 1 OR { 2690} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HA )) OR { 2690} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HA )) ASSI { 2715} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HN )) 4.000 2.000 2.000 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.80509E-03 ppm1 0.565 ppm2 8.816 CV 1 OR { 2715} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 109 and name HN )) ASSI { 2720} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 90 and name HA )) 3.800 1.800 1.800 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.89950E-03 ppm1 0.551 ppm2 4.847 CV 1 OR { 2720} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 106 and name HA )) OR { 2720} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 101 and name HA )) ASSI { 2721} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 155 and name HE% ) 3.400 3.400 2.600 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 0.553 ppm2 6.722 CV 1 OR { 2721} ( segid " " and resid 89 and name HD1%) ( segid " " and resid 155 and name HE% ) ASSI { 2727} (( segid " " and resid 116 and name HB1 )) (( segid " " and resid 117 and name HN )) 3.900 1.900 1.900 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.64194E-03 ppm1 0.930 ppm2 8.341 CV 1 OR { 2727} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HN )) OR { 2727} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HN )) ASSI { 2728} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 9 and name HN )) 4.500 2.500 1.500 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.56858E-03 ppm1 1.155 ppm2 8.318 CV 1 OR { 2728} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 9 and name HN )) OR { 2728} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 6 and name HN )) OR { 2728} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 101 and name HN )) ASSI { 2745} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 99 and name HG2%) 2.700 2.700 3.300 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 2.406 ppm2 1.019 CV 1 OR { 2745} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 134 and name HB% ) OR { 2745} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 111 and name HG2%) ASSI { 2748} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 138 and name HN )) 3.300 1.300 1.300 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 2.408 ppm2 8.242 CV 1 OR { 2748} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HN )) OR { 2748} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 138 and name HN )) ASSI { 2749} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 124 and name HB2 )) 2.700 2.700 3.300 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.60593E-03 ppm1 2.404 ppm2 2.972 CV 1 OR { 2749} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 10 and name HE1 )) ASSI { 2752} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 138 and name HN )) 3.900 1.900 1.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.11958E-02 ppm1 1.965 ppm2 8.256 CV 1 OR { 2752} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HN )) OR { 2752} (( segid " " and resid 15 and name HG11)) (( segid " " and resid 16 and name HN )) OR { 2752} (( segid " " and resid 15 and name HG12)) (( segid " " and resid 16 and name HN )) ASSI { 2753} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 140 and name HB% ) 3.900 1.900 1.900 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.79401E-03 ppm1 1.951 ppm2 1.468 CV 1 OR { 2753} (( segid " " and resid 15 and name HG11)) (( segid " " and resid 100 and name HG )) OR { 2753} (( segid " " and resid 15 and name HG12)) (( segid " " and resid 100 and name HG )) ASSI { 2755} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 98 and name HB% ) 3.400 1.500 1.500 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.12866E-02 ppm1 1.869 ppm2 1.384 CV 1 OR { 2755} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 140 and name HB% ) OR { 2755} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 138 and name HB% ) ASSI { 2770} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 66 and name HA1 )) 4.200 2.200 1.800 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.76935E-03 ppm1 2.519 ppm2 3.955 CV 1 OR { 2770} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 67 and name HA1 )) ASSI { 2791} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.600 0.800 0.800 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.29114E-02 ppm1 4.957 ppm2 2.435 CV 1 OR { 2791} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG2 )) ASSI { 2802} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.17294E-02 ppm1 1.644 ppm2 4.161 CV 1 OR { 2802} (( segid " " and resid 43 and name HG )) (( segid " " and resid 48 and name HA )) OR { 2802} (( segid " " and resid 44 and name HG )) (( segid " " and resid 48 and name HA )) ASSI { 2804} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HN )) 3.400 1.400 1.400 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.93138E-03 ppm1 1.214 ppm2 8.220 CV 1 OR { 2804} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 60 and name HN )) ASSI { 2811} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HG2 )) 2.900 2.900 3.100 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 1.980 ppm2 2.498 CV 1 OR { 2811} (( segid " " and resid 30 and name HB )) (( segid " " and resid 32 and name HB1 )) ASSI { 2816} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 101 and name HA )) 4.300 2.400 1.700 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.76236E-03 ppm1 4.225 ppm2 4.863 CV 1 OR { 2816} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 106 and name HA )) OR { 2816} (( segid " " and resid 108 and name HA2 )) (( segid " " and resid 106 and name HA )) ASSI { 2817} (( segid " " and resid 108 and name HA2 )) (( segid " " and resid 132 and name HA )) 3.300 1.300 1.300 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.77943E-03 ppm1 4.228 ppm2 4.652 CV 1 OR { 2817} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 133 and name HA )) ASSI { 2827} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 3.200 3.200 2.800 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.81692E-03 ppm1 1.765 ppm2 2.585 CV 1 OR { 2827} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 82 and name HB2 )) ASSI { 2828} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.500 1.600 1.600 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 2.181 ppm2 7.645 CV 1 OR { 2828} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) OR { 2828} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HE21)) ASSI { 2836} (( segid " " and resid 111 and name HB )) (( segid " " and resid 153 and name HA )) 4.300 2.300 1.700 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.56870E-03 ppm1 2.235 ppm2 5.168 CV 1 OR { 2836} (( segid " " and resid 111 and name HB )) (( segid " " and resid 126 and name HA )) ASSI { 2838} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 33 and name HB )) 4.300 2.300 1.700 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.70856E-03 ppm1 2.241 ppm2 4.485 CV 1 OR { 2838} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 33 and name HB )) OR { 2838} (( segid " " and resid 111 and name HB )) (( segid " " and resid 147 and name HB )) ASSI { 2857} (( segid " " and resid 79 and name HA )) (( segid " " and resid 107 and name HE2 )) 3.300 1.300 1.300 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.20853E-02 ppm1 4.414 ppm2 2.813 CV 1 OR { 2857} (( segid " " and resid 79 and name HA )) (( segid " " and resid 107 and name HE1 )) OR { 2857} (( segid " " and resid 102 and name HA )) (( segid " " and resid 109 and name HB1 )) OR { 2857} (( segid " " and resid 102 and name HA )) (( segid " " and resid 155 and name HB2 )) ASSI { 2872} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.400 0.700 0.700 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.59127E-02 ppm1 4.950 ppm2 3.052 CV 1 OR { 2872} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2877} (( segid " " and resid 61 and name HB )) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.62710E-03 ppm1 1.535 ppm2 8.773 CV 1 OR { 2877} (( segid " " and resid 116 and name HG2 )) (( segid " " and resid 115 and name HN )) ASSI { 2888} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 72 and name HA1 )) 3.500 1.500 1.500 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.55326E-03 ppm1 6.768 ppm2 3.802 CV 1 OR { 2888} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 74 and name HA )) ASSI { 2889} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 62 and name HB )) 4.200 2.200 1.800 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.56732E-03 ppm1 6.774 ppm2 3.021 CV 1 OR { 2889} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 117 and name HB2 )) OR { 2889} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 70 and name HB2 )) ASSI { 2915} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 62 and name HA )) 3.800 1.800 1.800 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.98231E-03 ppm1 1.085 ppm2 5.114 CV 1 OR { 2915} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 62 and name HA )) ASSI { 2939} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 130 and name HN )) 3.500 1.500 1.500 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 0.646 ppm2 8.102 CV 1 OR { 2939} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 2956} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HD1%) 3.300 1.400 1.400 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.34751E-02 ppm1 4.578 ppm2 0.531 CV 1 OR { 2956} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HD1 )) ASSI { 2962} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.65065E-03 ppm1 6.703 ppm2 7.761 CV 1 OR { 2962} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 36 and name HN )) ASSI { 2965} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 81 and name HA1 )) 3.600 3.600 2.400 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.90274E-03 ppm1 0.575 ppm2 3.997 CV 1 OR { 2965} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 27 and name HA2 )) OR { 2965} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 27 and name HA1 )) ASSI { 2991} (( segid " " and resid 55 and name HA )) ( segid " " and resid 56 and name HG2%) 3.600 1.700 1.700 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 5.020 ppm2 1.304 CV 1 OR { 2991} (( segid " " and resid 55 and name HA )) (( segid " " and resid 152 and name HG1 )) OR { 2991} (( segid " " and resid 124 and name HA )) (( segid " " and resid 131 and name HD2 )) ASSI { 2994} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HA )) 3.800 1.800 1.800 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 5.010 ppm2 4.399 CV 1 OR { 2994} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HA )) OR { 2994} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HB )) ASSI { 3012} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HB1 )) 3.800 1.800 1.800 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.79200E-03 ppm1 1.411 ppm2 2.405 CV 1 OR { 3012} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 139 and name HB2 )) ASSI { 3015} ( segid " " and resid 83 and name HD% ) ( segid " " and resid 119 and name HG2%) 4.400 2.400 1.600 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.48823E-03 ppm1 6.780 ppm2 0.580 CV 1 OR { 3015} ( segid " " and resid 83 and name HD% ) ( segid " " and resid 71 and name HG1%) OR { 3015} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 60 and name HD1 )) ASSI { 3023} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 97 and name HA )) 2.700 2.700 3.300 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.91171E-03 ppm1 0.846 ppm2 4.341 CV 1 OR { 3023} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 133 and name HB )) ASSI { 3034} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.80509E-03 ppm1 0.558 ppm2 2.998 CV 1 OR { 3034} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 10 and name HE2 )) ASSI { 3035} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 25 and name HA )) 2.800 2.800 3.200 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.40428E-03 ppm1 6.705 ppm2 3.470 CV 1 OR { 3035} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 15 and name HA )) ASSI { 3036} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 29 and name HB1 )) 4.600 2.600 1.400 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.66322E-03 ppm1 6.707 ppm2 2.679 CV 1 OR { 3036} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 35 and name HB2 )) ASSI { 3037} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 63 and name HB2 )) 4.100 2.100 1.900 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.42931E-03 ppm1 6.703 ppm2 2.868 CV 1 OR { 3037} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 155 and name HB2 )) OR { 3037} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 29 and name HB2 )) ASSI { 3039} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 63 and name HB2 )) 3.600 1.700 1.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.62512E-03 ppm1 6.732 ppm2 2.825 CV 1 OR { 3039} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 155 and name HB2 )) ASSI { 3040} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 36 and name HA )) 3.800 1.800 1.800 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.80759E-03 ppm1 6.725 ppm2 4.046 CV 1 OR { 3040} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 73 and name HD2 )) OR { 3040} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 72 and name HA2 )) OR { 3040} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 73 and name HD1 )) ASSI { 3042} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 117 and name HB2 )) 3.800 1.800 1.800 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.64767E-03 ppm1 6.555 ppm2 3.021 CV 1 OR { 3042} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 62 and name HB )) ASSI { 3067} (( segid " " and resid 108 and name HA2 )) (( segid " " and resid 109 and name HN )) 2.600 0.800 0.800 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.25292E-02 ppm1 4.230 ppm2 8.732 CV 1 OR { 3067} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 104 and name HN )) ASSI { 3071} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HN )) 3.100 1.200 1.200 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 4.267 ppm2 8.341 CV 1 OR { 3071} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) OR { 3071} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HN )) OR { 3071} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) OR { 3071} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 7 and name HN )) ASSI { 3080} (( segid " " and resid 53 and name HA )) (( segid " " and resid 116 and name HB1 )) 3.500 1.600 1.600 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.20888E-02 ppm1 4.950 ppm2 0.922 CV 1 OR { 3080} (( segid " " and resid 53 and name HA )) ( segid " " and resid 61 and name HG2%) OR { 3080} (( segid " " and resid 68 and name HA )) ( segid " " and resid 84 and name HD2%) ASSI { 3086} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HA2 )) 4.000 2.000 2.000 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.11188E-02 ppm1 5.256 ppm2 4.102 CV 1 OR { 3086} (( segid " " and resid 71 and name HA )) (( segid " " and resid 73 and name HD1 )) ASSI { 2} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 9.220 ppm2 5.205 CV 1 ASSI { 5} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) 4.400 2.400 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.42190E-03 ppm1 9.220 ppm2 8.106 CV 1 ASSI { 6} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.37360E-02 ppm1 9.220 ppm2 7.635 CV 1 ASSI { 7} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.56122E-02 ppm1 9.220 ppm2 4.796 CV 1 ASSI { 8} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.900 1.900 1.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.78544E-03 ppm1 9.220 ppm2 3.735 CV 1 ASSI { 9} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.600 1.600 1.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.53575E-03 ppm1 9.220 ppm2 3.541 CV 1 ASSI { 11} (( segid " " and resid 126 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.700 1.700 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.64432E-03 ppm1 9.220 ppm2 1.569 CV 1 ASSI { 13} (( segid " " and resid 126 and name HN )) ( segid " " and resid 111 and name HG1%) 4.900 3.000 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.55884E-03 ppm1 9.215 ppm2 0.855 CV 1 ASSI { 16} (( segid " " and resid 131 and name HN )) (( segid " " and resid 109 and name HN )) 3.000 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 9.637 ppm2 8.768 CV 1 ASSI { 17} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HN )) 4.200 2.200 1.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.49488E-03 ppm1 9.641 ppm2 8.117 CV 1 ASSI { 20} (( segid " " and resid 131 and name HN )) ( segid " " and resid 109 and name HD% ) 5.500 3.800 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.17616E-03 ppm1 9.631 ppm2 7.063 CV 1 ASSI { 21} (( segid " " and resid 131 and name HN )) ( segid " " and resid 122 and name HD% ) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.43218E-03 ppm1 9.631 ppm2 6.786 CV 1 ASSI { 22} (( segid " " and resid 131 and name HN )) (( segid " " and resid 109 and name HA )) 4.700 2.800 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.16423E-03 ppm1 9.641 ppm2 5.528 CV 1 ASSI { 23} (( segid " " and resid 131 and name HN )) (( segid " " and resid 110 and name HA2 )) 3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.90878E-03 ppm1 9.631 ppm2 5.185 CV 1 ASSI { 24} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.100 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.43215E-02 ppm1 9.631 ppm2 4.898 CV 1 ASSI { 25} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.700 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13045E-02 ppm1 9.631 ppm2 4.571 CV 1 ASSI { 26} (( segid " " and resid 131 and name HN )) (( segid " " and resid 110 and name HA1 )) 4.800 2.800 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.58285E-03 ppm1 9.630 ppm2 4.090 CV 1 ASSI { 27} (( segid " " and resid 131 and name HN )) (( segid " " and resid 109 and name HB2 )) 5.800 4.200 0.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.21152E-03 ppm1 9.631 ppm2 3.057 CV 1 ASSI { 30} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.19635E-02 ppm1 9.631 ppm2 1.595 CV 1 ASSI { 31} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HD1 )) 3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 9.631 ppm2 1.431 CV 1 OR { 31} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG2 )) OR { 31} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HG1 )) ASSI { 32} (( segid " " and resid 131 and name HN )) ( segid " " and resid 111 and name HG1%) 4.700 2.700 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34914E-03 ppm1 9.631 ppm2 0.859 CV 1 ASSI { 35} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 4.500 2.600 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.52519E-03 ppm1 8.261 ppm2 9.491 CV 1 ASSI { 37} (( segid " " and resid 69 and name HN )) (( segid " " and resid 88 and name HH12)) 5.800 4.200 0.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17542E-03 ppm1 8.263 ppm2 6.606 CV 1 OR { 37} (( segid " " and resid 69 and name HN )) (( segid " " and resid 88 and name HH11)) ASSI { 38} (( segid " " and resid 69 and name HN )) (( segid " " and resid 86 and name HA )) 5.100 3.300 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.18065E-03 ppm1 8.263 ppm2 5.585 CV 1 ASSI { 39} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.27443E-02 ppm1 8.263 ppm2 5.229 CV 1 ASSI { 40} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.42571E-02 ppm1 8.262 ppm2 4.928 CV 1 ASSI { 45} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB1 )) 3.900 1.900 1.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.13186E-02 ppm1 8.263 ppm2 1.983 CV 1 ASSI { 46} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 8.261 ppm2 1.649 CV 1 ASSI { 49} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HD1%) 3.700 1.700 1.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.73881E-03 ppm1 8.261 ppm2 0.657 CV 1 OR { 49} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HD2%) ASSI { 50} (( segid " " and resid 158 and name HN )) (( segid " " and resid 107 and name HN )) 3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 8.166 ppm2 9.402 CV 1 ASSI { 51} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HN )) 4.400 2.400 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.31102E-03 ppm1 8.170 ppm2 9.152 CV 1 ASSI { 54} (( segid " " and resid 158 and name HN )) (( segid " " and resid 106 and name HN )) 5.200 3.300 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.28025E-03 ppm1 8.166 ppm2 7.302 CV 1 ASSI { 55} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA )) 1.900 0.500 0.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.57070E-02 ppm1 8.166 ppm2 4.923 CV 1 ASSI { 56} (( segid " " and resid 158 and name HN )) (( segid " " and resid 105 and name HA )) 4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.50465E-03 ppm1 8.166 ppm2 4.384 CV 1 ASSI { 57} (( segid " " and resid 158 and name HN )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 57 spectrum 1 weight 0.10000E+01 volume 0.26108E-02 ppm1 8.165 ppm2 3.966 CV 1 ASSI { 58} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HE2 )) 5.300 3.500 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19315E-03 ppm1 8.165 ppm2 2.933 CV 1 ASSI { 59} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HE1 )) 4.700 2.800 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.31571E-03 ppm1 8.166 ppm2 2.808 CV 1 ASSI { 60} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HG1 )) 4.300 2.300 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.28953E-03 ppm1 8.166 ppm2 2.157 CV 1 ASSI { 61} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB1 )) 2.500 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.24755E-02 ppm1 8.165 ppm2 1.872 CV 1 ASSI { 62} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB2 )) 2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.55200E-02 ppm1 8.165 ppm2 1.692 CV 1 ASSI { 63} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG2 )) 3.200 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.26020E-02 ppm1 8.165 ppm2 1.341 CV 1 OR { 63} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HG1 )) ASSI { 66} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 4.600 2.600 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.36329E-03 ppm1 9.176 ppm2 9.823 CV 1 ASSI { 71} (( segid " " and resid 86 and name HN )) (( segid " " and resid 60 and name HA )) 4.400 2.400 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.38208E-03 ppm1 9.177 ppm2 5.315 CV 1 ASSI { 73} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HA )) 4.000 2.000 2.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.47042E-03 ppm1 9.177 ppm2 4.889 CV 1 ASSI { 74} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB )) 4.400 2.500 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.40454E-03 ppm1 9.177 ppm2 3.983 CV 1 ASSI { 75} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.26481E-02 ppm1 9.177 ppm2 1.801 CV 1 ASSI { 76} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG )) 4.600 2.600 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.36644E-03 ppm1 9.176 ppm2 1.642 CV 1 ASSI { 79} (( segid " " and resid 86 and name HN )) (( segid " " and resid 60 and name HD1 )) 3.600 1.600 1.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.60653E-03 ppm1 9.177 ppm2 0.548 CV 1 ASSI { 80} (( segid " " and resid 86 and name HN )) ( segid " " and resid 62 and name HG2%) 3.200 3.200 2.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.24631E-03 ppm1 9.183 ppm2 -0.010 CV 1 ASSI { 83} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HN )) 4.700 2.800 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.20009E-03 ppm1 8.819 ppm2 7.069 CV 1 ASSI { 84} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HD22)) 4.100 2.100 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 8.821 ppm2 6.874 CV 1 ASSI { 85} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.46280E-02 ppm1 8.819 ppm2 4.824 CV 1 ASSI { 88} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD1%) 4.200 2.200 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.73709E-03 ppm1 8.818 ppm2 0.681 CV 1 ASSI { 89} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD2%) 4.200 2.200 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.54695E-03 ppm1 8.818 ppm2 0.563 CV 1 ASSI { 90} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 4.900 3.000 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.31511E-03 ppm1 8.819 ppm2 8.312 CV 1 ASSI { 92} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 5.400 3.600 0.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.31113E-03 ppm1 8.814 ppm2 3.115 CV 1 ASSI { 93} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 5.000 3.100 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.46140E-03 ppm1 8.817 ppm2 2.546 CV 1 ASSI { 95} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 4.500 2.500 1.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.20041E-03 ppm1 8.438 ppm2 4.458 CV 1 ASSI { 96} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HB% ) 4.500 2.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.24745E-03 ppm1 8.436 ppm2 1.447 CV 1 ASSI { 99} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HN )) 4.400 2.400 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.47976E-03 ppm1 7.052 ppm2 9.588 CV 1 ASSI { 100} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 4.000 2.000 2.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.66170E-03 ppm1 7.056 ppm2 8.315 CV 1 ASSI { 102} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.40903E-02 ppm1 7.049 ppm2 6.774 CV 1 ASSI { 103} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB2 )) 4.900 3.000 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.38810E-03 ppm1 7.055 ppm2 4.765 CV 1 OR { 103} (( segid " " and resid 100 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 104} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB )) 4.400 2.400 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.40660E-03 ppm1 7.055 ppm2 4.532 CV 1 ASSI { 105} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 7.053 ppm2 4.310 CV 1 ASSI { 107} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.52693E-02 ppm1 7.052 ppm2 2.187 CV 1 OR { 107} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 108} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG )) 3.100 3.100 2.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.63337E-02 ppm1 7.053 ppm2 1.509 CV 1 ASSI { 109} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD1%) 4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17608E-02 ppm1 7.053 ppm2 0.979 CV 1 ASSI { 110} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD2%) 3.900 1.900 1.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.17112E-02 ppm1 7.051 ppm2 0.855 CV 1 ASSI { 113} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HB1 )) 4.500 2.500 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.20589E-03 ppm1 7.051 ppm2 1.795 CV 1 ASSI { 114} (( segid " " and resid 63 and name HN )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 9.040 ppm2 8.401 CV 1 ASSI { 116} (( segid " " and resid 63 and name HN )) ( segid " " and resid 155 and name HD% ) 3.500 3.500 2.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.20692E-02 ppm1 9.040 ppm2 7.211 CV 1 ASSI { 117} (( segid " " and resid 63 and name HN )) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 9.041 ppm2 5.702 CV 1 ASSI { 118} (( segid " " and resid 63 and name HN )) (( segid " " and resid 83 and name HA )) 4.800 2.900 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.38242E-03 ppm1 9.041 ppm2 5.504 CV 1 ASSI { 119} (( segid " " and resid 63 and name HN )) (( segid " " and resid 84 and name HA )) 4.700 2.800 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21527E-03 ppm1 9.040 ppm2 5.310 CV 1 ASSI { 120} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.100 0.500 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.55254E-02 ppm1 9.041 ppm2 5.118 CV 1 ASSI { 122} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 4.400 2.400 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.41843E-03 ppm1 9.039 ppm2 3.014 CV 1 ASSI { 123} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.79146E-03 ppm1 9.039 ppm2 2.875 CV 1 ASSI { 124} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.500 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 9.039 ppm2 2.629 CV 1 ASSI { 126} (( segid " " and resid 63 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.60533E-03 ppm1 9.040 ppm2 1.761 CV 1 ASSI { 127} (( segid " " and resid 63 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.900 1.900 1.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.49823E-03 ppm1 9.040 ppm2 1.504 CV 1 ASSI { 129} (( segid " " and resid 63 and name HN )) ( segid " " and resid 84 and name HD1%) 4.300 2.400 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.63856E-03 ppm1 9.040 ppm2 0.962 CV 1 OR { 129} (( segid " " and resid 63 and name HN )) ( segid " " and resid 84 and name HD2%) ASSI { 130} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 2.900 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.25924E-02 ppm1 9.040 ppm2 0.042 CV 1 ASSI { 131} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 4.500 2.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.25746E-03 ppm1 9.040 ppm2 8.791 CV 1 ASSI { 134} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HD1%) 5.100 3.200 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.56812E-03 ppm1 9.038 ppm2 0.540 CV 1 ASSI { 139} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 3.300 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.81111E-03 ppm1 8.674 ppm2 3.638 CV 1 ASSI { 141} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB )) 2.800 1.000 1.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.26584E-02 ppm1 8.675 ppm2 1.702 CV 1 ASSI { 144} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HD1%) 3.900 1.900 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17138E-02 ppm1 8.674 ppm2 0.839 CV 1 ASSI { 145} (( segid " " and resid 135 and name HN )) (( segid " " and resid 100 and name HN )) 4.300 2.300 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.21416E-03 ppm1 8.674 ppm2 7.064 CV 1 ASSI { 146} (( segid " " and resid 135 and name HN )) (( segid " " and resid 101 and name HD22)) 4.800 2.900 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.25353E-03 ppm1 8.668 ppm2 6.861 CV 1 ASSI { 147} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HG2%) 3.600 1.600 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.81532E-03 ppm1 8.674 ppm2 0.619 CV 1 ASSI { 148} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.600 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30136E-02 ppm1 8.620 ppm2 8.389 CV 1 ASSI { 149} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.60616E-03 ppm1 8.619 ppm2 8.143 CV 1 ASSI { 150} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HD21)) 5.100 3.300 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.18010E-03 ppm1 8.619 ppm2 7.499 CV 1 ASSI { 151} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HD22)) 5.400 3.600 0.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.30735E-03 ppm1 8.619 ppm2 7.134 CV 1 ASSI { 152} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.52736E-03 ppm1 8.615 ppm2 4.558 CV 1 ASSI { 155} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HA )) 3.900 1.900 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.44604E-03 ppm1 8.619 ppm2 3.822 CV 1 ASSI { 156} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HE2 )) 4.500 2.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.40015E-03 ppm1 8.618 ppm2 3.020 CV 1 OR { 156} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HE1 )) ASSI { 157} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 8.618 ppm2 2.825 CV 1 OR { 157} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 159} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.900 2.900 3.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.41920E-03 ppm1 8.618 ppm2 2.140 CV 1 OR { 159} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 160} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HB )) 4.500 2.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.62593E-03 ppm1 8.620 ppm2 1.944 CV 1 OR { 160} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HG11)) OR { 160} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HG12)) ASSI { 162} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HB% ) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.61527E-02 ppm1 8.619 ppm2 1.653 CV 1 ASSI { 164} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 4.600 2.700 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.26225E-03 ppm1 8.165 ppm2 8.635 CV 1 ASSI { 165} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.55538E-02 ppm1 8.164 ppm2 7.325 CV 1 ASSI { 166} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.400 1.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10382E-02 ppm1 8.165 ppm2 4.779 CV 1 ASSI { 168} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.200 3.200 2.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.21162E-03 ppm1 8.165 ppm2 3.167 CV 1 ASSI { 169} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.600 2.600 3.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.72635E-03 ppm1 8.165 ppm2 2.877 CV 1 ASSI { 171} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HB% ) 2.500 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.78963E-02 ppm1 8.165 ppm2 1.704 CV 1 ASSI { 172} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 4.500 2.600 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.73578E-03 ppm1 8.162 ppm2 1.285 CV 1 ASSI { 174} (( segid " " and resid 70 and name HN )) (( segid " " and resid 85 and name HN )) 3.000 1.100 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.13548E-02 ppm1 9.527 ppm2 9.823 CV 1 ASSI { 175} (( segid " " and resid 70 and name HN )) (( segid " " and resid 87 and name HN )) 5.900 4.300 0.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.19671E-03 ppm1 9.528 ppm2 7.905 CV 1 ASSI { 176} (( segid " " and resid 70 and name HN )) (( segid " " and resid 86 and name HA )) 3.900 1.900 1.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.57606E-03 ppm1 9.525 ppm2 5.597 CV 1 ASSI { 177} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.100 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.66036E-02 ppm1 9.524 ppm2 5.265 CV 1 ASSI { 181} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HD2%) 2.500 2.500 3.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 9.525 ppm2 0.634 CV 1 ASSI { 183} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD21)) 5.400 3.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.26939E-03 ppm1 9.527 ppm2 7.331 CV 1 ASSI { 184} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD22)) 5.900 4.300 0.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.31677E-03 ppm1 9.528 ppm2 7.134 CV 1 ASSI { 187} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 4.100 2.100 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.13458E-02 ppm1 9.525 ppm2 0.971 CV 1 ASSI { 191} (( segid " " and resid 85 and name HN )) (( segid " " and resid 70 and name HD21)) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.60350E-03 ppm1 9.818 ppm2 7.351 CV 1 ASSI { 193} (( segid " " and resid 85 and name HN )) ( segid " " and resid 83 and name HE% ) 3.900 1.900 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.34625E-03 ppm1 9.818 ppm2 6.411 CV 1 ASSI { 197} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG )) 2.500 2.500 3.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 9.819 ppm2 1.656 CV 1 ASSI { 198} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 4.000 2.000 2.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.67668E-03 ppm1 9.819 ppm2 1.511 CV 1 ASSI { 201} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 4.300 2.300 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.36888E-03 ppm1 9.819 ppm2 8.369 CV 1 ASSI { 202} (( segid " " and resid 85 and name HN )) (( segid " " and resid 70 and name HD22)) 5.300 3.500 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.18456E-03 ppm1 9.813 ppm2 7.173 CV 1 ASSI { 204} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.61195E-02 ppm1 9.819 ppm2 5.292 CV 1 ASSI { 206} (( segid " " and resid 85 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.73211E-03 ppm1 9.817 ppm2 2.585 CV 1 ASSI { 207} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HG2%) 3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 9.816 ppm2 1.085 CV 1 ASSI { 208} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HD2%) 4.400 2.400 1.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 9.819 ppm2 0.962 CV 1 ASSI { 209} (( segid " " and resid 85 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.200 3.200 2.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.10573E-02 ppm1 9.819 ppm2 0.828 CV 1 OR { 209} (( segid " " and resid 85 and name HN )) (( segid " " and resid 60 and name HG1 )) ASSI { 210} (( segid " " and resid 85 and name HN )) ( segid " " and resid 62 and name HG2%) 4.300 2.300 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.31955E-03 ppm1 9.816 ppm2 0.000 CV 1 ASSI { 211} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HN )) 4.700 2.800 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.19285E-03 ppm1 9.584 ppm2 8.616 CV 1 ASSI { 212} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 2.400 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.46555E-02 ppm1 9.579 ppm2 8.041 CV 1 ASSI { 213} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 3.700 1.700 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.63773E-03 ppm1 9.582 ppm2 7.803 CV 1 ASSI { 218} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 2.900 2.900 3.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.31800E-02 ppm1 9.582 ppm2 4.046 CV 1 ASSI { 219} (( segid " " and resid 98 and name HN )) (( segid " " and resid 94 and name HA )) 3.600 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.76153E-03 ppm1 9.584 ppm2 3.836 CV 1 ASSI { 220} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.86631E-03 ppm1 9.582 ppm2 3.415 CV 1 ASSI { 221} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HB )) 3.400 3.400 2.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16674E-03 ppm1 9.584 ppm2 2.083 CV 1 ASSI { 222} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.900 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.23431E-02 ppm1 9.580 ppm2 1.796 CV 1 OR { 222} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 226} (( segid " " and resid 107 and name HN )) (( segid " " and resid 158 and name HG1 )) 5.500 3.700 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27926E-03 ppm1 9.389 ppm2 1.324 CV 1 OR { 226} (( segid " " and resid 107 and name HN )) (( segid " " and resid 158 and name HG2 )) ASSI { 228} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HE2 )) 5.200 3.400 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.22588E-03 ppm1 9.386 ppm2 2.818 CV 1 OR { 228} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HE1 )) ASSI { 229} (( segid " " and resid 107 and name HN )) (( segid " " and resid 157 and name HB2 )) 4.900 3.000 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.35937E-03 ppm1 9.388 ppm2 1.782 CV 1 ASSI { 232} (( segid " " and resid 55 and name HN )) (( segid " " and resid 59 and name HN )) 5.100 3.300 0.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.21884E-03 ppm1 8.650 ppm2 7.642 CV 1 ASSI { 233} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 4.100 2.100 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.49674E-03 ppm1 8.652 ppm2 7.446 CV 1 ASSI { 238} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.28226E-02 ppm1 8.654 ppm2 3.018 CV 1 ASSI { 239} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.24604E-02 ppm1 8.653 ppm2 2.477 CV 1 ASSI { 240} (( segid " " and resid 55 and name HN )) (( segid " " and resid 152 and name HG1 )) 3.200 1.300 1.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.96049E-03 ppm1 8.650 ppm2 1.233 CV 1 OR { 240} (( segid " " and resid 55 and name HN )) (( segid " " and resid 152 and name HG2 )) ASSI { 241} (( segid " " and resid 55 and name HN )) (( segid " " and resid 60 and name HG1 )) 2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.36375E-02 ppm1 8.653 ppm2 0.774 CV 1 OR { 241} (( segid " " and resid 55 and name HN )) (( segid " " and resid 60 and name HG2 )) ASSI { 243} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.75422E-03 ppm1 8.368 ppm2 3.075 CV 1 ASSI { 244} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB2 )) 4.400 2.400 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.48105E-03 ppm1 8.369 ppm2 1.234 CV 1 ASSI { 245} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.900 1.900 1.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.66903E-03 ppm1 8.370 ppm2 1.007 CV 1 ASSI { 246} (( segid " " and resid 90 and name HN )) (( segid " " and resid 151 and name HD22)) 4.400 2.400 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.25651E-03 ppm1 8.368 ppm2 7.085 CV 1 ASSI { 247} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.74589E-03 ppm1 8.369 ppm2 4.888 CV 1 ASSI { 249} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.600 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 8.367 ppm2 2.873 CV 1 ASSI { 250} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HD1%) 2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 8.368 ppm2 0.544 CV 1 ASSI { 251} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HD2%) 3.400 1.400 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 8.366 ppm2 0.288 CV 1 ASSI { 253} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HN )) 4.200 2.200 1.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.35043E-03 ppm1 7.470 ppm2 8.598 CV 1 ASSI { 254} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.200 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.56709E-03 ppm1 7.468 ppm2 7.801 CV 1 ASSI { 255} (( segid " " and resid 39 and name HN )) (( segid " " and resid 117 and name HD22)) 5.100 3.200 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.21692E-03 ppm1 7.468 ppm2 6.722 CV 1 ASSI { 257} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.19410E-02 ppm1 7.467 ppm2 4.698 CV 1 ASSI { 258} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 2.200 2.200 3.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.96100E-02 ppm1 7.467 ppm2 4.081 CV 1 ASSI { 259} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.600 1.600 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.66643E-03 ppm1 7.466 ppm2 3.291 CV 1 ASSI { 260} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.200 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.88633E-03 ppm1 7.467 ppm2 3.010 CV 1 ASSI { 262} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HG11)) 2.900 2.900 3.100 peak 262 spectrum 1 weight 0.10000E+01 volume 0.40918E-02 ppm1 7.467 ppm2 1.678 CV 1 OR { 262} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 263} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.300 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.95327E-03 ppm1 7.467 ppm2 1.462 CV 1 OR { 263} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) ASSI { 264} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG )) 3.300 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.34900E-02 ppm1 7.467 ppm2 0.959 CV 1 ASSI { 265} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 3.500 3.500 2.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.49640E-02 ppm1 7.467 ppm2 0.781 CV 1 ASSI { 269} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HG1 )) 3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.36773E-03 ppm1 9.391 ppm2 0.715 CV 1 OR { 269} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HG2 )) ASSI { 273} (( segid " " and resid 107 and name HN )) (( segid " " and resid 156 and name HB2 )) 4.900 3.000 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.23312E-03 ppm1 9.389 ppm2 2.357 CV 1 ASSI { 274} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.31852E-02 ppm1 9.387 ppm2 1.078 CV 1 ASSI { 277} (( segid " " and resid 157 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 2.400 3.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11347E-02 ppm1 9.162 ppm2 8.042 CV 1 ASSI { 278} (( segid " " and resid 157 and name HN )) ( segid " " and resid 155 and name HD% ) 3.900 1.900 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.53472E-03 ppm1 9.163 ppm2 7.183 CV 1 ASSI { 279} (( segid " " and resid 157 and name HN )) ( segid " " and resid 156 and name HD% ) 4.500 2.500 1.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.20801E-03 ppm1 9.162 ppm2 6.813 CV 1 ASSI { 281} (( segid " " and resid 157 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 3.000 3.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13252E-02 ppm1 9.165 ppm2 5.505 CV 1 ASSI { 282} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 9.166 ppm2 4.918 CV 1 ASSI { 283} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HA )) 2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.50448E-02 ppm1 9.163 ppm2 4.191 CV 1 ASSI { 284} (( segid " " and resid 157 and name HN )) (( segid " " and resid 107 and name HE1 )) 4.600 2.600 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.28046E-03 ppm1 9.166 ppm2 2.768 CV 1 OR { 284} (( segid " " and resid 157 and name HN )) (( segid " " and resid 107 and name HE2 )) ASSI { 285} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 4.900 3.000 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.44020E-03 ppm1 9.165 ppm2 2.354 CV 1 ASSI { 286} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG1 )) 3.200 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 9.165 ppm2 2.161 CV 1 OR { 286} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HG2 )) ASSI { 287} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HB2 )) 3.200 1.300 1.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22149E-02 ppm1 9.164 ppm2 1.742 CV 1 ASSI { 302} (( segid " " and resid 21 and name HN )) (( segid " " and resid 24 and name HN )) 4.700 2.800 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.26273E-03 ppm1 8.688 ppm2 8.108 CV 1 ASSI { 304} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.31142E-02 ppm1 8.681 ppm2 8.382 CV 1 ASSI { 305} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 4.000 2.000 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.52226E-03 ppm1 8.681 ppm2 7.798 CV 1 ASSI { 310} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HB )) 2.700 2.700 3.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.56360E-03 ppm1 8.677 ppm2 2.183 CV 1 ASSI { 311} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 2.300 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.93253E-02 ppm1 8.681 ppm2 1.444 CV 1 ASSI { 313} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.400 3.400 2.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16859E-03 ppm1 8.162 ppm2 2.804 CV 1 OR { 313} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 315} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 8.091 ppm2 8.632 CV 1 ASSI { 316} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.36507E-02 ppm1 8.091 ppm2 8.390 CV 1 ASSI { 317} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.43951E-02 ppm1 8.091 ppm2 7.799 CV 1 ASSI { 319} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.900 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.34831E-02 ppm1 8.091 ppm2 4.053 CV 1 OR { 319} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 320} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 5.700 4.100 0.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.18311E-03 ppm1 8.091 ppm2 3.504 CV 1 ASSI { 322} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HB% ) 2.300 2.300 3.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10626E-01 ppm1 8.091 ppm2 1.474 CV 1 ASSI { 324} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HG2%) 4.900 3.000 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.35475E-03 ppm1 8.092 ppm2 0.596 CV 1 ASSI { 326} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.24241E-02 ppm1 10.653 ppm2 8.770 CV 1 ASSI { 328} (( segid " " and resid 116 and name HN )) (( segid " " and resid 118 and name HN )) 4.400 2.400 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.40815E-03 ppm1 10.653 ppm2 8.065 CV 1 ASSI { 331} (( segid " " and resid 116 and name HN )) (( segid " " and resid 53 and name HA )) 5.600 3.900 0.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.28930E-03 ppm1 10.654 ppm2 4.913 CV 1 ASSI { 332} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HA )) 3.900 1.900 1.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.61106E-03 ppm1 10.653 ppm2 4.516 CV 1 ASSI { 337} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HG1 )) 3.600 1.600 1.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.16625E-02 ppm1 10.654 ppm2 1.406 CV 1 ASSI { 338} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.21864E-02 ppm1 10.653 ppm2 1.201 CV 1 ASSI { 339} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB1 )) 3.300 1.400 1.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 10.653 ppm2 0.920 CV 1 ASSI { 340} (( segid " " and resid 116 and name HN )) ( segid " " and resid 113 and name HG2%) 3.000 3.000 3.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22064E-02 ppm1 10.652 ppm2 0.588 CV 1 ASSI { 342} (( segid " " and resid 111 and name HN )) (( segid " " and resid 154 and name HN )) 4.700 2.800 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.36306E-03 ppm1 8.903 ppm2 9.481 CV 1 ASSI { 345} (( segid " " and resid 111 and name HN )) (( segid " " and resid 128 and name HA )) 4.600 2.600 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.31348E-03 ppm1 8.903 ppm2 3.805 CV 1 ASSI { 346} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.30357E-02 ppm1 8.902 ppm2 2.242 CV 1 ASSI { 351} (( segid " " and resid 111 and name HN )) ( segid " " and resid 113 and name HD1%) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.85780E-03 ppm1 8.904 ppm2 0.641 CV 1 ASSI { 354} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HD21)) 4.500 2.600 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.35097E-03 ppm1 8.327 ppm2 7.782 CV 1 ASSI { 356} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HD22)) 5.500 3.800 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.30159E-03 ppm1 8.323 ppm2 6.871 CV 1 ASSI { 357} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 8.327 ppm2 4.817 CV 1 ASSI { 360} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.31889E-02 ppm1 8.328 ppm2 2.525 CV 1 ASSI { 361} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 4.400 2.400 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.60313E-03 ppm1 8.328 ppm2 2.174 CV 1 OR { 361} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) ASSI { 362} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HD1%) 1.900 1.900 4.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.48268E-02 ppm1 8.328 ppm2 0.955 CV 1 ASSI { 363} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29606E-03 ppm1 8.165 ppm2 8.530 CV 1 ASSI { 364} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 4.500 2.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.23285E-03 ppm1 8.165 ppm2 8.444 CV 1 ASSI { 365} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.33957E-03 ppm1 8.165 ppm2 4.595 CV 1 ASSI { 366} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.600 1.700 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.70968E-03 ppm1 8.162 ppm2 4.255 CV 1 ASSI { 372} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) 4.400 2.400 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.41302E-03 ppm1 8.163 ppm2 0.972 CV 1 ASSI { 374} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) 5.400 3.600 0.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.24342E-03 ppm1 8.155 ppm2 3.410 CV 1 ASSI { 379} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HN )) 4.300 2.300 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.42765E-03 ppm1 8.790 ppm2 8.287 CV 1 ASSI { 381} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.37707E-02 ppm1 8.790 ppm2 7.547 CV 1 ASSI { 383} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.23976E-02 ppm1 8.791 ppm2 3.698 CV 1 ASSI { 384} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.600 1.600 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.19550E-02 ppm1 8.790 ppm2 2.386 CV 1 ASSI { 386} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HB% ) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.69797E-02 ppm1 8.790 ppm2 1.415 CV 1 ASSI { 387} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.61822E-03 ppm1 8.041 ppm2 8.891 CV 1 ASSI { 389} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 3.500 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.17834E-02 ppm1 8.042 ppm2 4.785 CV 1 ASSI { 390} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.12616E-02 ppm1 8.042 ppm2 4.578 CV 1 ASSI { 392} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.26763E-02 ppm1 8.041 ppm2 4.136 CV 1 ASSI { 393} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.100 2.100 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.58797E-03 ppm1 8.042 ppm2 3.975 CV 1 OR { 393} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 395} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HB% ) 2.600 2.600 3.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.91042E-02 ppm1 8.042 ppm2 1.384 CV 1 ASSI { 397} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HN )) 5.000 3.200 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.20272E-03 ppm1 7.286 ppm2 8.764 CV 1 ASSI { 400} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 4.400 2.400 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.62481E-03 ppm1 7.275 ppm2 9.407 CV 1 ASSI { 402} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 2.400 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.47365E-02 ppm1 7.280 ppm2 7.996 CV 1 ASSI { 403} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.800 1.000 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.15568E-02 ppm1 7.279 ppm2 4.900 CV 1 ASSI { 404} (( segid " " and resid 106 and name HN )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 7.281 ppm2 4.402 CV 1 ASSI { 405} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA2 )) 3.400 1.400 1.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 7.278 ppm2 4.229 CV 1 ASSI { 406} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 4.100 2.100 1.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.74454E-03 ppm1 7.279 ppm2 3.990 CV 1 ASSI { 407} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.600 1.600 1.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 7.279 ppm2 3.860 CV 1 ASSI { 408} (( segid " " and resid 106 and name HN )) (( segid " " and resid 102 and name HB1 )) 3.900 1.900 1.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.85336E-03 ppm1 7.279 ppm2 1.674 CV 1 OR { 408} (( segid " " and resid 106 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 409} (( segid " " and resid 106 and name HN )) (( segid " " and resid 158 and name HG2 )) 4.300 2.300 1.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.33694E-03 ppm1 7.282 ppm2 1.316 CV 1 OR { 409} (( segid " " and resid 106 and name HN )) (( segid " " and resid 158 and name HG1 )) ASSI { 410} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.200 2.200 3.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.77072E-02 ppm1 7.278 ppm2 1.120 CV 1 ASSI { 411} (( segid " " and resid 106 and name HN )) ( segid " " and resid 102 and name HD2%) 5.000 3.100 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25702E-03 ppm1 7.279 ppm2 0.571 CV 1 ASSI { 413} (( segid " " and resid 62 and name HN )) ( segid " " and resid 155 and name HE% ) 4.800 2.900 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.16625E-03 ppm1 8.811 ppm2 6.730 CV 1 ASSI { 415} (( segid " " and resid 140 and name HN )) (( segid " " and resid 95 and name HA )) 5.800 4.100 0.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.21204E-03 ppm1 8.797 ppm2 3.403 CV 1 ASSI { 418} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HN )) 5.200 3.300 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.18056E-03 ppm1 8.322 ppm2 8.577 CV 1 ASSI { 419} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HN )) 2.600 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.37690E-02 ppm1 8.325 ppm2 8.027 CV 1 ASSI { 422} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB2 )) 5.200 3.400 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.36415E-03 ppm1 8.326 ppm2 3.456 CV 1 ASSI { 425} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HB% ) 2.600 2.600 3.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.54120E-02 ppm1 8.319 ppm2 1.420 CV 1 ASSI { 426} (( segid " " and resid 93 and name HN )) ( segid " " and resid 89 and name HD1%) 2.800 2.800 3.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.76233E-02 ppm1 8.319 ppm2 0.549 CV 1 ASSI { 427} (( segid " " and resid 93 and name HN )) ( segid " " and resid 89 and name HD2%) 4.900 3.000 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.30151E-03 ppm1 8.324 ppm2 0.278 CV 1 ASSI { 429} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 4.400 2.400 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.40909E-03 ppm1 8.277 ppm2 8.776 CV 1 ASSI { 431} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 8.277 ppm2 4.504 CV 1 ASSI { 434} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG12)) 5.200 3.400 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.22428E-03 ppm1 8.277 ppm2 1.276 CV 1 OR { 434} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG11)) ASSI { 440} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 4.600 2.600 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.20720E-03 ppm1 7.147 ppm2 4.288 CV 1 ASSI { 441} (( segid " " and resid 119 and name HN )) (( segid " " and resid 122 and name HZ )) 5.500 3.800 0.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.24816E-03 ppm1 7.141 ppm2 6.672 CV 1 ASSI { 442} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 3.300 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.97381E-03 ppm1 7.145 ppm2 4.968 CV 1 ASSI { 443} (( segid " " and resid 119 and name HN )) (( segid " " and resid 115 and name HA2 )) 2.200 2.200 3.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.19331E-02 ppm1 7.144 ppm2 3.873 CV 1 ASSI { 445} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.300 2.300 1.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.54970E-03 ppm1 7.144 ppm2 3.018 CV 1 ASSI { 446} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) 4.200 2.200 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.82302E-03 ppm1 7.145 ppm2 2.625 CV 1 ASSI { 447} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG12)) 3.700 1.700 1.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.28930E-02 ppm1 7.145 ppm2 1.585 CV 1 ASSI { 448} (( segid " " and resid 119 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.700 3.700 2.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 7.145 ppm2 1.168 CV 1 ASSI { 449} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HG2%) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 7.144 ppm2 0.585 CV 1 ASSI { 450} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD1%) 4.200 2.200 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 7.144 ppm2 -0.209 CV 1 ASSI { 451} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HG1 )) 4.900 3.000 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.21708E-03 ppm1 7.123 ppm2 2.253 CV 1 OR { 451} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 455} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HA )) 2.400 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.45570E-02 ppm1 8.885 ppm2 3.789 CV 1 ASSI { 456} (( segid " " and resid 128 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.600 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.35137E-03 ppm1 8.885 ppm2 3.485 CV 1 ASSI { 459} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB1 )) 3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 8.883 ppm2 2.237 CV 1 ASSI { 460} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG2%) 3.800 1.800 1.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.14261E-02 ppm1 8.883 ppm2 1.343 CV 1 ASSI { 461} (( segid " " and resid 128 and name HN )) ( segid " " and resid 129 and name HB% ) 4.600 2.600 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.38747E-03 ppm1 8.884 ppm2 1.129 CV 1 ASSI { 465} (( segid " " and resid 62 and name HN )) (( segid " " and resid 85 and name HA )) 4.800 2.800 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.18912E-03 ppm1 8.809 ppm2 5.686 CV 1 ASSI { 466} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.94737E-03 ppm1 8.811 ppm2 5.132 CV 1 ASSI { 470} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HD1%) 3.500 3.500 2.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.25324E-02 ppm1 8.810 ppm2 0.541 CV 1 ASSI { 471} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 4.300 2.300 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.52490E-03 ppm1 8.809 ppm2 0.055 CV 1 ASSI { 472} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG1 )) 4.900 3.000 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.71913E-03 ppm1 8.646 ppm2 2.075 CV 1 OR { 472} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG2 )) ASSI { 473} (( segid " " and resid 156 and name HN )) (( segid " " and resid 110 and name HN )) 4.800 2.900 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.39849E-03 ppm1 8.463 ppm2 9.439 CV 1 ASSI { 474} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 4.800 2.800 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.31279E-03 ppm1 8.416 ppm2 9.018 CV 1 ASSI { 475} (( segid " " and resid 156 and name HN )) (( segid " " and resid 108 and name HN )) 3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.13035E-02 ppm1 8.467 ppm2 7.503 CV 1 ASSI { 477} (( segid " " and resid 156 and name HN )) (( segid " " and resid 109 and name HA )) 3.300 1.300 1.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 8.466 ppm2 5.508 CV 1 ASSI { 479} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HA )) 3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.12479E-02 ppm1 8.465 ppm2 4.191 CV 1 ASSI { 480} (( segid " " and resid 156 and name HN )) ( segid " " and resid 62 and name HG2%) 4.200 2.200 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.32322E-03 ppm1 8.469 ppm2 0.026 CV 1 ASSI { 481} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HN )) 4.800 2.900 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.41012E-03 ppm1 8.464 ppm2 9.140 CV 1 ASSI { 482} (( segid " " and resid 156 and name HN )) ( segid " " and resid 155 and name HD% ) 4.200 2.300 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.59616E-03 ppm1 8.470 ppm2 7.210 CV 1 ASSI { 483} (( segid " " and resid 156 and name HN )) ( segid " " and resid 122 and name HE% ) 3.300 1.400 1.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18644E-03 ppm1 8.464 ppm2 6.362 CV 1 ASSI { 485} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 2.600 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17920E-02 ppm1 8.465 ppm2 2.344 CV 1 ASSI { 486} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB1 )) 4.000 2.000 2.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.10816E-02 ppm1 8.466 ppm2 1.853 CV 1 ASSI { 488} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD% ) 2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.25177E-02 ppm1 8.421 ppm2 6.773 CV 1 ASSI { 489} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HE% ) 4.800 2.900 1.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.34149E-03 ppm1 8.426 ppm2 6.376 CV 1 ASSI { 491} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.100 1.200 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.32623E-02 ppm1 8.421 ppm2 3.630 CV 1 OR { 491} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 495} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 3.300 1.300 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 8.360 ppm2 8.784 CV 1 ASSI { 496} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HN )) 4.000 2.000 2.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.37154E-03 ppm1 8.363 ppm2 7.021 CV 1 ASSI { 497} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.30322E-02 ppm1 8.359 ppm2 4.737 CV 1 ASSI { 500} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19867E-02 ppm1 8.359 ppm2 2.912 CV 1 ASSI { 501} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB1 )) 3.500 1.500 1.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.11573E-02 ppm1 8.360 ppm2 2.655 CV 1 ASSI { 503} (( segid " " and resid 148 and name HN )) ( segid " " and resid 147 and name HG2%) 4.700 2.700 1.300 peak 503 spectrum 1 weight 0.10000E+01 volume 0.52659E-03 ppm1 8.361 ppm2 1.261 CV 1 ASSI { 506} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.39065E-02 ppm1 7.952 ppm2 7.666 CV 1 ASSI { 509} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 4.500 2.500 1.500 peak 509 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 7.952 ppm2 4.608 CV 1 ASSI { 510} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.600 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.38480E-02 ppm1 7.952 ppm2 4.182 CV 1 ASSI { 511} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA2 )) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20328E-02 ppm1 7.952 ppm2 3.964 CV 1 OR { 511} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA1 )) ASSI { 512} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12277E-02 ppm1 7.952 ppm2 3.486 CV 1 ASSI { 513} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HB1 )) 4.800 2.900 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.33138E-03 ppm1 7.952 ppm2 2.914 CV 1 ASSI { 514} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.44902E-02 ppm1 7.952 ppm2 1.922 CV 1 ASSI { 515} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG )) 2.400 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.35811E-02 ppm1 7.952 ppm2 1.643 CV 1 ASSI { 517} (( segid " " and resid 28 and name HN )) ( segid " " and resid 30 and name HD1%) 4.800 2.900 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.31654E-03 ppm1 7.953 ppm2 0.944 CV 1 OR { 517} (( segid " " and resid 28 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 518} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 3.800 1.800 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.22449E-02 ppm1 7.953 ppm2 0.818 CV 1 ASSI { 519} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 4.200 2.200 1.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.46775E-03 ppm1 7.952 ppm2 8.625 CV 1 ASSI { 522} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.800 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.22884E-02 ppm1 7.810 ppm2 9.029 CV 1 ASSI { 524} (( segid " " and resid 38 and name HN )) ( segid " " and resid 29 and name HE% ) 4.500 2.600 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.34181E-03 ppm1 7.810 ppm2 6.689 CV 1 ASSI { 526} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13137E-02 ppm1 7.809 ppm2 4.310 CV 1 ASSI { 527} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) 2.600 2.600 3.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.37286E-02 ppm1 7.810 ppm2 4.090 CV 1 ASSI { 528} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA1 )) 3.200 1.300 1.300 peak 528 spectrum 1 weight 0.10000E+01 volume 0.13026E-02 ppm1 7.813 ppm2 3.708 CV 1 ASSI { 529} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) 4.600 2.600 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.39162E-03 ppm1 7.812 ppm2 2.699 CV 1 ASSI { 530} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.500 2.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.22740E-03 ppm1 7.812 ppm2 2.420 CV 1 ASSI { 531} (( segid " " and resid 38 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.400 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11974E-02 ppm1 7.812 ppm2 2.211 CV 1 OR { 531} (( segid " " and resid 38 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 532} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.66408E-02 ppm1 7.813 ppm2 1.484 CV 1 OR { 532} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) ASSI { 533} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG )) 2.900 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10921E-02 ppm1 7.812 ppm2 0.967 CV 1 ASSI { 534} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.300 2.300 1.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 7.812 ppm2 0.782 CV 1 ASSI { 535} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD2%) 3.600 1.600 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 7.812 ppm2 0.182 CV 1 ASSI { 536} (( segid " " and resid 30 and name HN )) (( segid " " and resid 26 and name HA )) 4.600 2.700 1.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16223E-03 ppm1 7.120 ppm2 4.613 CV 1 ASSI { 537} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.48322E-03 ppm1 7.120 ppm2 2.897 CV 1 ASSI { 538} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 3.600 1.600 1.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.11734E-02 ppm1 7.120 ppm2 8.936 CV 1 ASSI { 539} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.44220E-02 ppm1 7.120 ppm2 7.666 CV 1 ASSI { 540} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 3.000 1.200 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.21823E-02 ppm1 7.120 ppm2 4.251 CV 1 ASSI { 541} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40591E-02 ppm1 7.120 ppm2 4.054 CV 1 ASSI { 542} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) 2.500 2.500 3.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.84096E-02 ppm1 7.120 ppm2 1.993 CV 1 ASSI { 543} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG12)) 3.000 1.100 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 7.120 ppm2 1.716 CV 1 OR { 543} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG11)) ASSI { 545} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD1%) 3.100 3.100 2.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.53873E-02 ppm1 7.120 ppm2 0.980 CV 1 ASSI { 546} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HD22)) 4.600 2.600 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.35017E-03 ppm1 9.130 ppm2 7.059 CV 1 ASSI { 547} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HG11)) 5.200 3.400 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.25218E-03 ppm1 9.128 ppm2 1.325 CV 1 OR { 547} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HG12)) ASSI { 548} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 4.800 2.900 1.200 peak 548 spectrum 1 weight 0.10000E+01 volume 0.22782E-03 ppm1 9.131 ppm2 8.872 CV 1 ASSI { 550} (( segid " " and resid 112 and name HN )) (( segid " " and resid 152 and name HN )) 3.200 1.300 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.12284E-02 ppm1 9.133 ppm2 8.434 CV 1 ASSI { 551} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.200 0.600 0.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 9.128 ppm2 4.776 CV 1 ASSI { 553} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.300 0.600 0.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.43771E-02 ppm1 9.128 ppm2 4.281 CV 1 ASSI { 554} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 4.000 2.000 2.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.35687E-03 ppm1 9.129 ppm2 3.518 CV 1 ASSI { 555} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB1 )) 4.300 2.300 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.59273E-03 ppm1 9.129 ppm2 3.015 CV 1 ASSI { 558} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB )) 4.600 2.700 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.34573E-03 ppm1 9.131 ppm2 2.242 CV 1 ASSI { 559} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HB )) 3.800 1.800 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.16652E-02 ppm1 9.130 ppm2 1.519 CV 1 ASSI { 562} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HD21)) 4.300 2.300 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.21717E-03 ppm1 9.115 ppm2 7.604 CV 1 ASSI { 565} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.200 0.600 0.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.57586E-02 ppm1 8.905 ppm2 4.771 CV 1 ASSI { 567} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB2 )) 2.800 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.21597E-02 ppm1 8.905 ppm2 1.826 CV 1 ASSI { 568} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB1 )) 3.600 1.600 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 8.905 ppm2 1.660 CV 1 ASSI { 569} (( segid " " and resid 153 and name HN )) (( segid " " and resid 61 and name HB )) 3.600 1.600 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 8.905 ppm2 1.557 CV 1 ASSI { 570} (( segid " " and resid 153 and name HN )) (( segid " " and resid 61 and name HG12)) 4.400 2.400 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 8.904 ppm2 1.114 CV 1 OR { 570} (( segid " " and resid 153 and name HN )) (( segid " " and resid 61 and name HG11)) ASSI { 572} (( segid " " and resid 153 and name HN )) (( segid " " and resid 60 and name HN )) 3.800 1.800 1.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.79842E-03 ppm1 8.908 ppm2 8.256 CV 1 ASSI { 576} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HN )) 4.700 2.700 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.39431E-03 ppm1 8.647 ppm2 7.417 CV 1 ASSI { 578} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.100 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.10744E-01 ppm1 8.648 ppm2 4.391 CV 1 ASSI { 580} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.43261E-02 ppm1 8.646 ppm2 2.653 CV 1 OR { 580} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 581} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.800 1.800 1.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.18909E-02 ppm1 8.646 ppm2 2.347 CV 1 ASSI { 582} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) 4.300 2.300 1.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 8.646 ppm2 1.811 CV 1 ASSI { 587} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17051E-02 ppm1 8.381 ppm2 9.029 CV 1 ASSI { 589} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HE% ) 5.200 3.400 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.25982E-03 ppm1 8.383 ppm2 6.407 CV 1 ASSI { 594} (( segid " " and resid 84 and name HN )) ( segid " " and resid 62 and name HG2%) 3.000 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.378 ppm2 0.023 CV 1 ASSI { 595} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) 4.400 2.400 1.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.26681E-03 ppm1 8.375 ppm2 5.632 CV 1 ASSI { 596} (( segid " " and resid 84 and name HN )) (( segid " " and resid 62 and name HA )) 4.000 2.000 2.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.53286E-03 ppm1 8.373 ppm2 5.080 CV 1 ASSI { 598} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16590E-02 ppm1 8.378 ppm2 1.754 CV 1 ASSI { 599} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 8.378 ppm2 1.521 CV 1 ASSI { 603} (( segid " " and resid 61 and name HN )) (( segid " " and resid 86 and name HN )) 2.800 1.000 1.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 8.175 ppm2 9.175 CV 1 ASSI { 604} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 4.200 2.200 1.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.34272E-03 ppm1 8.175 ppm2 8.829 CV 1 ASSI { 606} (( segid " " and resid 61 and name HN )) (( segid " " and resid 85 and name HA )) 4.600 2.600 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.34988E-03 ppm1 8.175 ppm2 5.675 CV 1 ASSI { 608} (( segid " " and resid 61 and name HN )) (( segid " " and resid 87 and name HA )) 3.600 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.83800E-03 ppm1 8.177 ppm2 4.824 CV 1 ASSI { 609} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.200 2.200 3.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.23508E-02 ppm1 8.176 ppm2 1.684 CV 1 ASSI { 611} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG12)) 2.700 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 8.176 ppm2 1.091 CV 1 OR { 611} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG11)) ASSI { 613} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HD1%) 3.500 1.500 1.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.21850E-02 ppm1 8.177 ppm2 0.546 CV 1 ASSI { 617} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.400 1.400 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.85496E-03 ppm1 8.148 ppm2 4.296 CV 1 OR { 617} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 619} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.800 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.37108E-02 ppm1 8.148 ppm2 2.484 CV 1 OR { 619} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 620} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.73368E-02 ppm1 8.148 ppm2 2.143 CV 1 OR { 620} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 624} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 2.400 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.49471E-02 ppm1 7.908 ppm2 7.189 CV 1 ASSI { 626} (( segid " " and resid 143 and name HN )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.12777E-02 ppm1 7.908 ppm2 3.698 CV 1 ASSI { 628} (( segid " " and resid 143 and name HN )) (( segid " " and resid 127 and name HB2 )) 4.800 2.800 1.200 peak 628 spectrum 1 weight 0.10000E+01 volume 0.21350E-03 ppm1 7.907 ppm2 2.852 CV 1 ASSI { 629} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HG2 )) 4.700 2.800 1.300 peak 629 spectrum 1 weight 0.10000E+01 volume 0.17377E-03 ppm1 7.909 ppm2 2.244 CV 1 OR { 629} (( segid " " and resid 143 and name HN )) (( segid " " and resid 139 and name HG1 )) ASSI { 631} (( segid " " and resid 143 and name HN )) ( segid " " and resid 142 and name HG2%) 3.800 1.800 1.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.11862E-02 ppm1 7.908 ppm2 1.217 CV 1 ASSI { 638} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.54753E-03 ppm1 6.986 ppm2 8.536 CV 1 ASSI { 639} (( segid " " and resid 74 and name HN )) (( segid " " and resid 82 and name HN )) 4.700 2.700 1.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.32368E-03 ppm1 6.990 ppm2 8.033 CV 1 ASSI { 640} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.36518E-03 ppm1 6.984 ppm2 7.784 CV 1 ASSI { 642} (( segid " " and resid 74 and name HN )) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.53971E-02 ppm1 6.989 ppm2 5.113 CV 1 ASSI { 644} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HD1 )) 5.000 3.100 1.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.37312E-03 ppm1 6.985 ppm2 4.047 CV 1 OR { 644} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HD2 )) ASSI { 645} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.900 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.20771E-02 ppm1 6.988 ppm2 3.818 CV 1 ASSI { 646} (( segid " " and resid 74 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.500 2.500 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.64792E-03 ppm1 6.990 ppm2 2.623 CV 1 ASSI { 647} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.600 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.29775E-02 ppm1 6.988 ppm2 2.175 CV 1 OR { 647} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 648} (( segid " " and resid 74 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.400 2.400 1.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.53959E-03 ppm1 6.988 ppm2 1.827 CV 1 ASSI { 653} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.500 2.500 3.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.52676E-02 ppm1 8.617 ppm2 4.824 CV 1 ASSI { 654} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.200 1.200 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15843E-02 ppm1 8.616 ppm2 3.123 CV 1 ASSI { 655} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.000 1.100 1.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.20496E-02 ppm1 8.616 ppm2 2.906 CV 1 ASSI { 658} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 2.900 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.18553E-02 ppm1 8.602 ppm2 8.382 CV 1 ASSI { 659} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.33929E-02 ppm1 8.603 ppm2 7.800 CV 1 ASSI { 660} (( segid " " and resid 95 and name HN )) (( segid " " and resid 92 and name HA )) 3.000 1.100 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.16506E-02 ppm1 8.603 ppm2 4.003 CV 1 ASSI { 662} (( segid " " and resid 95 and name HN )) (( segid " " and resid 91 and name HA )) 4.200 2.200 1.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.61604E-03 ppm1 8.604 ppm2 3.653 CV 1 ASSI { 665} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB )) 2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.45040E-02 ppm1 8.604 ppm2 2.099 CV 1 ASSI { 667} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HG2%) 2.300 2.300 3.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.69393E-02 ppm1 8.600 ppm2 0.882 CV 1 ASSI { 668} (( segid " " and resid 95 and name HN )) ( segid " " and resid 93 and name HB% ) 4.700 2.800 1.300 peak 668 spectrum 1 weight 0.10000E+01 volume 0.43808E-03 ppm1 8.598 ppm2 0.545 CV 1 ASSI { 670} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.000 3.000 3.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.36192E-03 ppm1 8.452 ppm2 2.178 CV 1 OR { 670} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 671} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 2.900 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 8.450 ppm2 8.624 CV 1 ASSI { 672} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 8.450 ppm2 8.223 CV 1 ASSI { 673} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 3.000 3.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.20852E-02 ppm1 8.450 ppm2 4.046 CV 1 ASSI { 675} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.73148E-02 ppm1 8.450 ppm2 1.983 CV 1 ASSI { 676} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HB% ) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.26702E-02 ppm1 8.449 ppm2 1.637 CV 1 ASSI { 677} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HD1%) 3.500 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.25700E-02 ppm1 8.449 ppm2 0.994 CV 1 OR { 677} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 680} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 8.176 ppm2 4.612 CV 1 ASSI { 681} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 8.183 ppm2 3.814 CV 1 ASSI { 684} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.30489E-02 ppm1 8.045 ppm2 8.781 CV 1 ASSI { 685} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD% ) 3.600 1.600 1.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.56268E-03 ppm1 8.043 ppm2 6.455 CV 1 ASSI { 686} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 8.042 ppm2 5.116 CV 1 ASSI { 689} (( segid " " and resid 82 and name HN )) ( segid " " and resid 74 and name HB% ) 3.700 1.700 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.73870E-03 ppm1 8.044 ppm2 0.164 CV 1 ASSI { 691} (( segid " " and resid 129 and name HN )) (( segid " " and resid 112 and name HB2 )) 4.600 2.700 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.21450E-03 ppm1 7.628 ppm2 3.545 CV 1 ASSI { 692} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.200 3.200 2.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.21369E-03 ppm1 7.620 ppm2 2.868 CV 1 ASSI { 695} (( segid " " and resid 129 and name HN )) (( segid " " and resid 111 and name HN )) 2.400 2.400 3.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.62209E-02 ppm1 7.619 ppm2 8.880 CV 1 ASSI { 696} (( segid " " and resid 129 and name HN )) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.93588E-03 ppm1 7.618 ppm2 8.136 CV 1 ASSI { 700} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.600 0.900 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 7.620 ppm2 4.045 CV 1 ASSI { 701} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HA )) 2.700 0.900 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 7.620 ppm2 3.792 CV 1 ASSI { 702} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG2 )) 3.000 3.000 3.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.35507E-03 ppm1 7.620 ppm2 2.620 CV 1 ASSI { 703} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HG1 )) 2.800 2.800 3.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.52312E-03 ppm1 7.618 ppm2 2.469 CV 1 ASSI { 705} (( segid " " and resid 129 and name HN )) (( segid " " and resid 113 and name HG12)) 3.900 1.900 1.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 7.620 ppm2 1.321 CV 1 OR { 705} (( segid " " and resid 129 and name HN )) (( segid " " and resid 113 and name HG11)) ASSI { 706} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HB% ) 2.700 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.54037E-02 ppm1 7.621 ppm2 1.120 CV 1 ASSI { 707} (( segid " " and resid 129 and name HN )) ( segid " " and resid 113 and name HD1%) 2.800 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.27670E-02 ppm1 7.618 ppm2 0.617 CV 1 ASSI { 709} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.42029E-02 ppm1 7.566 ppm2 8.616 CV 1 ASSI { 711} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.300 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.47887E-02 ppm1 7.567 ppm2 7.000 CV 1 ASSI { 712} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA )) 4.200 2.200 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.25604E-03 ppm1 7.570 ppm2 4.715 CV 1 ASSI { 715} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.500 2.500 3.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.88919E-03 ppm1 7.568 ppm2 3.860 CV 1 OR { 715} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 716} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB )) 2.300 0.600 0.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.70172E-02 ppm1 7.570 ppm2 2.223 CV 1 ASSI { 717} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG11)) 2.100 0.600 0.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.68573E-02 ppm1 7.569 ppm2 1.691 CV 1 OR { 717} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 718} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HG2%) 3.800 1.800 1.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 7.568 ppm2 1.304 CV 1 ASSI { 719} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HD1%) 3.200 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.44341E-02 ppm1 7.568 ppm2 0.957 CV 1 ASSI { 720} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HG2%) 4.300 2.400 1.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.12420E-02 ppm1 7.568 ppm2 0.796 CV 1 ASSI { 721} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HD21)) 5.000 3.200 1.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.41771E-03 ppm1 8.552 ppm2 7.231 CV 1 ASSI { 722} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.28609E-02 ppm1 8.553 ppm2 7.025 CV 1 ASSI { 723} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 8.554 ppm2 5.506 CV 1 ASSI { 725} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 3.300 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.95444E-03 ppm1 8.554 ppm2 4.557 CV 1 ASSI { 726} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HN )) 2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.52690E-02 ppm1 8.340 ppm2 8.060 CV 1 ASSI { 727} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HA )) 4.000 2.000 2.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.13900E-02 ppm1 8.344 ppm2 5.026 CV 1 ASSI { 732} (( segid " " and resid 57 and name HN )) (( segid " " and resid 59 and name HN )) 3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13528E-02 ppm1 8.340 ppm2 7.651 CV 1 ASSI { 734} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.800 1.800 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.52599E-03 ppm1 8.344 ppm2 2.465 CV 1 ASSI { 735} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG2%) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14897E-02 ppm1 8.344 ppm2 1.175 CV 1 ASSI { 737} (( segid " " and resid 118 and name HN )) ( segid " " and resid 156 and name HE% ) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.35435E-03 ppm1 8.071 ppm2 7.614 CV 1 ASSI { 740} (( segid " " and resid 97 and name HN )) (( segid " " and resid 99 and name HN )) 3.700 1.700 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.98412E-03 ppm1 8.058 ppm2 6.816 CV 1 ASSI { 742} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) 4.500 2.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.26706E-03 ppm1 8.056 ppm2 3.458 CV 1 ASSI { 743} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HB )) 2.900 2.900 3.100 peak 743 spectrum 1 weight 0.10000E+01 volume 0.39586E-03 ppm1 8.056 ppm2 2.157 CV 1 ASSI { 744} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.300 0.700 0.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.61518E-02 ppm1 8.056 ppm2 1.796 CV 1 OR { 744} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 746} (( segid " " and resid 97 and name HN )) ( segid " " and resid 93 and name HB% ) 3.700 3.700 2.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.11795E-02 ppm1 8.060 ppm2 0.570 CV 1 ASSI { 747} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 4.800 2.900 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.27445E-03 ppm1 8.045 ppm2 8.992 CV 1 ASSI { 748} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HD% ) 5.400 3.700 0.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.35914E-03 ppm1 8.043 ppm2 6.163 CV 1 ASSI { 749} (( segid " " and resid 82 and name HN )) (( segid " " and resid 73 and name HA )) 4.600 2.700 1.400 peak 749 spectrum 1 weight 0.10000E+01 volume 0.55887E-03 ppm1 8.043 ppm2 4.862 CV 1 ASSI { 760} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 8.544 ppm2 8.816 CV 1 ASSI { 761} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.500 0.800 0.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.30878E-02 ppm1 8.544 ppm2 8.198 CV 1 ASSI { 762} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.16041E-02 ppm1 8.542 ppm2 4.234 CV 1 ASSI { 763} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.31273E-02 ppm1 8.543 ppm2 4.086 CV 1 ASSI { 764} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.500 1.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.89601E-03 ppm1 8.545 ppm2 3.398 CV 1 ASSI { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.300 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.68840E-02 ppm1 8.543 ppm2 2.211 CV 1 OR { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 770} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.31440E-02 ppm1 8.364 ppm2 8.623 CV 1 ASSI { 771} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.800 0.900 0.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.25378E-02 ppm1 8.361 ppm2 3.496 CV 1 ASSI { 773} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HB% ) 2.600 2.600 3.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.45842E-02 ppm1 8.365 ppm2 1.478 CV 1 ASSI { 774} (( segid " " and resid 25 and name HN )) ( segid " " and resid 28 and name HD2%) 3.900 1.900 1.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.17546E-02 ppm1 8.365 ppm2 0.818 CV 1 OR { 774} (( segid " " and resid 25 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 778} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 2.600 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.35275E-02 ppm1 8.288 ppm2 7.551 CV 1 ASSI { 781} (( segid " " and resid 138 and name HN )) (( segid " " and resid 136 and name HA )) 3.200 1.300 1.300 peak 781 spectrum 1 weight 0.10000E+01 volume 0.19028E-02 ppm1 8.288 ppm2 3.972 CV 1 ASSI { 782} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.900 1.100 1.100 peak 782 spectrum 1 weight 0.10000E+01 volume 0.14290E-02 ppm1 8.288 ppm2 2.400 CV 1 ASSI { 789} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 4.600 2.600 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.29423E-03 ppm1 8.225 ppm2 4.243 CV 1 ASSI { 796} (( segid " " and resid 18 and name HN )) ( segid " " and resid 14 and name HB% ) 3.200 3.200 2.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.24205E-03 ppm1 8.231 ppm2 1.665 CV 1 ASSI { 805} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 2.500 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.42293E-02 ppm1 8.060 ppm2 7.140 CV 1 ASSI { 806} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 8.071 ppm2 4.938 CV 1 ASSI { 808} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.50075E-02 ppm1 8.066 ppm2 2.647 CV 1 ASSI { 809} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HB2 )) 4.900 3.000 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.31886E-03 ppm1 8.064 ppm2 1.170 CV 1 ASSI { 811} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HN )) 4.900 3.000 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.22015E-03 ppm1 8.012 ppm2 8.614 CV 1 ASSI { 814} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.600 1.700 1.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.77719E-03 ppm1 8.009 ppm2 3.641 CV 1 ASSI { 815} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HB2 )) 4.400 2.400 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.34421E-03 ppm1 8.010 ppm2 3.099 CV 1 ASSI { 816} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.800 1.900 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.45913E-03 ppm1 8.012 ppm2 2.878 CV 1 ASSI { 817} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HG1 )) 2.600 2.600 3.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10523E-01 ppm1 8.010 ppm2 1.424 CV 1 ASSI { 825} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HE% ) 4.500 2.600 1.500 peak 825 spectrum 1 weight 0.10000E+01 volume 0.37191E-03 ppm1 8.860 ppm2 6.827 CV 1 ASSI { 830} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.45220E-02 ppm1 8.861 ppm2 4.001 CV 1 OR { 830} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 831} (( segid " " and resid 35 and name HN )) (( segid " " and resid 29 and name HB2 )) 5.100 3.300 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.17064E-03 ppm1 8.864 ppm2 2.872 CV 1 ASSI { 832} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.13122E-02 ppm1 8.864 ppm2 2.673 CV 1 ASSI { 833} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.600 1.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 8.860 ppm2 2.406 CV 1 ASSI { 834} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.47033E-03 ppm1 8.863 ppm2 2.192 CV 1 OR { 834} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 834} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HG1 )) ASSI { 836} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA2 )) 5.400 3.700 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.23865E-03 ppm1 8.631 ppm2 4.745 CV 1 ASSI { 837} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.800 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 8.521 ppm2 7.823 CV 1 ASSI { 840} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD22)) 5.000 3.100 1.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.52899E-03 ppm1 8.520 ppm2 6.722 CV 1 ASSI { 841} (( segid " " and resid 75 and name HN )) (( segid " " and resid 118 and name HA )) 3.800 1.800 1.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.48640E-03 ppm1 8.520 ppm2 4.973 CV 1 ASSI { 843} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 8.520 ppm2 4.624 CV 1 ASSI { 844} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.73944E-02 ppm1 8.521 ppm2 3.811 CV 1 ASSI { 846} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.57354E-02 ppm1 8.521 ppm2 2.750 CV 1 OR { 846} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 847} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HB% ) 2.600 2.600 3.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.30904E-02 ppm1 8.520 ppm2 0.108 CV 1 ASSI { 848} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 2.600 0.800 0.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.44541E-02 ppm1 8.338 ppm2 7.900 CV 1 ASSI { 849} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HN )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.60817E-03 ppm1 8.337 ppm2 7.213 CV 1 ASSI { 851} (( segid " " and resid 144 and name HN )) (( segid " " and resid 140 and name HA )) 3.400 1.500 1.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.99486E-03 ppm1 8.337 ppm2 3.713 CV 1 ASSI { 855} (( segid " " and resid 130 and name HN )) (( segid " " and resid 123 and name HN )) 4.800 2.800 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18710E-03 ppm1 8.137 ppm2 9.016 CV 1 ASSI { 857} (( segid " " and resid 130 and name HN )) ( segid " " and resid 122 and name HD% ) 5.300 3.600 0.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.28023E-03 ppm1 8.139 ppm2 6.786 CV 1 ASSI { 859} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 8.138 ppm2 4.894 CV 1 ASSI { 864} (( segid " " and resid 141 and name HN )) (( segid " " and resid 143 and name HN )) 5.000 3.100 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16735E-03 ppm1 8.080 ppm2 7.896 CV 1 ASSI { 865} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 2.500 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.39113E-02 ppm1 8.059 ppm2 8.784 CV 1 ASSI { 866} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 1.800 0.400 0.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.14487E-01 ppm1 8.054 ppm2 1.435 CV 1 ASSI { 870} (( segid " " and resid 136 and name HN )) (( segid " " and resid 140 and name HN )) 4.300 2.300 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.28469E-03 ppm1 8.611 ppm2 8.787 CV 1 ASSI { 872} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HD1%) 3.400 1.400 1.400 peak 872 spectrum 1 weight 0.10000E+01 volume 0.26470E-02 ppm1 8.613 ppm2 0.833 CV 1 ASSI { 874} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.400 0.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.50158E-02 ppm1 8.611 ppm2 3.655 CV 1 ASSI { 875} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HD1 )) 3.400 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.16922E-02 ppm1 8.611 ppm2 2.281 CV 1 OR { 875} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HD2 )) ASSI { 878} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HD21)) 3.300 1.400 1.400 peak 878 spectrum 1 weight 0.10000E+01 volume 0.48884E-03 ppm1 8.369 ppm2 7.484 CV 1 ASSI { 879} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) 4.900 3.000 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.27618E-03 ppm1 8.055 ppm2 7.210 CV 1 ASSI { 881} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 881 spectrum 1 weight 0.10000E+01 volume 0.41849E-02 ppm1 8.056 ppm2 8.923 CV 1 ASSI { 882} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 3.300 1.400 1.400 peak 882 spectrum 1 weight 0.10000E+01 volume 0.95095E-03 ppm1 8.048 ppm2 4.883 CV 1 ASSI { 883} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.000 1.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.25486E-02 ppm1 8.057 ppm2 4.685 CV 1 ASSI { 884} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA2 )) 2.800 1.000 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.36366E-02 ppm1 8.057 ppm2 4.091 CV 1 ASSI { 885} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.000 2.000 2.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.99592E-03 ppm1 8.048 ppm2 2.880 CV 1 ASSI { 886} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.300 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.23121E-02 ppm1 8.059 ppm2 2.515 CV 1 ASSI { 887} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG1 )) 2.500 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.62507E-02 ppm1 8.059 ppm2 2.216 CV 1 OR { 887} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 887} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 888} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) 3.900 1.900 1.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.81394E-03 ppm1 8.049 ppm2 7.551 CV 1 ASSI { 890} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 890 spectrum 1 weight 0.10000E+01 volume 0.42381E-02 ppm1 8.041 ppm2 7.010 CV 1 ASSI { 893} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.600 1.700 1.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.41253E-03 ppm1 8.049 ppm2 2.874 CV 1 ASSI { 894} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.800 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.44822E-02 ppm1 8.038 ppm2 1.905 CV 1 ASSI { 895} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG )) 2.200 0.600 0.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.46022E-02 ppm1 8.038 ppm2 1.618 CV 1 ASSI { 896} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD1%) 3.300 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.42043E-02 ppm1 8.041 ppm2 0.778 CV 1 OR { 896} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD2%) ASSI { 897} (( segid " " and resid 139 and name HN )) (( segid " " and resid 141 and name HN )) 3.800 1.800 1.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.75491E-03 ppm1 4.839 ppm2 -0.157 CV 1 ASSI { 899} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HN )) 3.800 1.800 1.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.69762E-03 ppm1 7.554 ppm2 8.609 CV 1 ASSI { 901} (( segid " " and resid 139 and name HN )) (( segid " " and resid 125 and name HA )) 3.800 3.800 2.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.44444E-03 ppm1 7.554 ppm2 4.762 CV 1 ASSI { 903} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 3.500 1.600 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.10766E-02 ppm1 7.554 ppm2 4.122 CV 1 ASSI { 904} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.26840E-02 ppm1 7.554 ppm2 3.988 CV 1 ASSI { 906} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 2.500 0.800 0.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.42450E-02 ppm1 7.554 ppm2 2.384 CV 1 ASSI { 907} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 2.900 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.20572E-02 ppm1 7.554 ppm2 1.863 CV 1 ASSI { 908} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HB% ) 2.600 2.600 3.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.48228E-02 ppm1 7.554 ppm2 1.389 CV 1 ASSI { 917} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) 2.100 0.500 0.500 peak 917 spectrum 1 weight 0.10000E+01 volume 0.70722E-02 ppm1 9.461 ppm2 5.191 CV 1 ASSI { 918} (( segid " " and resid 154 and name HN )) (( segid " " and resid 53 and name HA )) 4.700 2.700 1.300 peak 918 spectrum 1 weight 0.10000E+01 volume 0.71928E-03 ppm1 9.459 ppm2 4.963 CV 1 ASSI { 919} (( segid " " and resid 154 and name HN )) (( segid " " and resid 111 and name HA )) 5.100 3.300 0.900 peak 919 spectrum 1 weight 0.10000E+01 volume 0.23384E-03 ppm1 9.462 ppm2 4.769 CV 1 ASSI { 920} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HB )) 4.000 2.000 2.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.45194E-03 ppm1 9.460 ppm2 4.574 CV 1 ASSI { 921} (( segid " " and resid 154 and name HN )) (( segid " " and resid 54 and name HA )) 3.700 1.700 1.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.48803E-03 ppm1 9.461 ppm2 4.433 CV 1 ASSI { 922} (( segid " " and resid 154 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11468E-02 ppm1 9.460 ppm2 3.842 CV 1 ASSI { 924} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB )) 4.100 2.100 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.94711E-03 ppm1 9.460 ppm2 2.468 CV 1 ASSI { 926} (( segid " " and resid 154 and name HN )) ( segid " " and resid 154 and name HG2%) 2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.28423E-02 ppm1 9.459 ppm2 1.188 CV 1 ASSI { 927} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HG2%) 3.400 1.400 1.400 peak 927 spectrum 1 weight 0.10000E+01 volume 0.34756E-02 ppm1 9.459 ppm2 1.108 CV 1 OR { 927} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HG1%) ASSI { 929} (( segid " " and resid 132 and name HN )) (( segid " " and resid 123 and name HN )) 4.100 4.100 1.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.27930E-03 ppm1 9.142 ppm2 8.975 CV 1 ASSI { 930} (( segid " " and resid 132 and name HN )) ( segid " " and resid 122 and name HD% ) 4.800 2.900 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.31434E-03 ppm1 9.149 ppm2 6.780 CV 1 ASSI { 931} (( segid " " and resid 132 and name HN )) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.47288E-03 ppm1 9.143 ppm2 5.027 CV 1 ASSI { 932} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.200 0.600 0.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.53707E-02 ppm1 9.142 ppm2 4.577 CV 1 ASSI { 933} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB1 )) 2.700 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 9.142 ppm2 3.829 CV 1 ASSI { 934} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.300 1.400 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.52077E-03 ppm1 9.140 ppm2 2.121 CV 1 ASSI { 937} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA2 )) 4.500 2.600 1.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.84820E-03 ppm1 8.617 ppm2 3.989 CV 1 OR { 937} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA1 )) ASSI { 938} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 2.700 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.18330E-02 ppm1 8.566 ppm2 9.125 CV 1 ASSI { 939} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 5.200 3.300 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.31998E-03 ppm1 8.566 ppm2 8.263 CV 1 ASSI { 941} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HA )) 3.700 1.700 1.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.79891E-03 ppm1 8.568 ppm2 4.780 CV 1 ASSI { 942} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.24986E-02 ppm1 8.564 ppm2 4.269 CV 1 ASSI { 943} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.17316E-02 ppm1 8.566 ppm2 3.702 CV 1 ASSI { 944} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB1 )) 4.400 2.500 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.41920E-03 ppm1 8.567 ppm2 3.017 CV 1 ASSI { 946} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB )) 2.300 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.52372E-02 ppm1 8.567 ppm2 1.529 CV 1 ASSI { 947} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG12)) 3.500 1.500 1.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.22831E-02 ppm1 8.566 ppm2 1.290 CV 1 OR { 947} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG11)) ASSI { 948} (( segid " " and resid 113 and name HN )) ( segid " " and resid 153 and name HG1%) 5.400 3.700 0.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.26531E-03 ppm1 8.567 ppm2 1.119 CV 1 OR { 948} (( segid " " and resid 113 and name HN )) ( segid " " and resid 153 and name HG2%) ASSI { 949} (( segid " " and resid 113 and name HN )) ( segid " " and resid 111 and name HG2%) 4.800 2.900 1.200 peak 949 spectrum 1 weight 0.10000E+01 volume 0.30721E-03 ppm1 8.566 ppm2 0.961 CV 1 ASSI { 950} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HG2%) 3.500 1.600 1.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.28764E-02 ppm1 8.566 ppm2 0.585 CV 1 ASSI { 952} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.600 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 8.374 ppm2 8.163 CV 1 ASSI { 954} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.17906E-02 ppm1 8.372 ppm2 4.601 CV 1 ASSI { 956} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.500 1.600 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.68038E-03 ppm1 8.370 ppm2 3.804 CV 1 ASSI { 957} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) 2.800 1.000 1.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.34481E-02 ppm1 8.366 ppm2 2.821 CV 1 OR { 957} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 959} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.800 1.000 1.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.24060E-02 ppm1 8.366 ppm2 2.152 CV 1 OR { 959} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 961} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.700 2.700 3.300 peak 961 spectrum 1 weight 0.10000E+01 volume 0.69459E-03 ppm1 8.371 ppm2 1.657 CV 1 ASSI { 962} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.900 1.900 1.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12004E-02 ppm1 8.043 ppm2 3.068 CV 1 ASSI { 965} (( segid " " and resid 132 and name HN )) (( segid " " and resid 125 and name HN )) 5.000 3.100 1.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.30348E-03 ppm1 9.149 ppm2 8.113 CV 1 ASSI { 966} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HN )) 4.500 2.500 1.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.34209E-03 ppm1 9.142 ppm2 9.650 CV 1 ASSI { 967} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 2.700 0.900 0.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.22237E-02 ppm1 9.142 ppm2 7.359 CV 1 ASSI { 969} (( segid " " and resid 132 and name HN )) (( segid " " and resid 122 and name HB2 )) 4.200 2.200 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.64231E-03 ppm1 9.141 ppm2 2.837 CV 1 ASSI { 970} (( segid " " and resid 132 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.300 1.400 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.65291E-03 ppm1 9.142 ppm2 2.500 CV 1 ASSI { 971} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.800 1.800 1.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.18913E-02 ppm1 9.141 ppm2 1.638 CV 1 ASSI { 972} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG2 )) 3.400 1.400 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 9.142 ppm2 1.484 CV 1 OR { 972} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HG1 )) ASSI { 973} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HD2 )) 4.900 3.100 1.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.28632E-03 ppm1 9.142 ppm2 1.262 CV 1 ASSI { 976} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.600 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.31597E-02 ppm1 8.617 ppm2 7.867 CV 1 ASSI { 977} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD21)) 4.600 2.600 1.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.46266E-03 ppm1 8.617 ppm2 7.721 CV 1 ASSI { 978} (( segid " " and resid 26 and name HN )) ( segid " " and resid 35 and name HE% ) 5.100 3.200 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.22751E-03 ppm1 8.611 ppm2 6.879 CV 1 ASSI { 979} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD22)) 5.700 4.000 0.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.27688E-03 ppm1 8.614 ppm2 6.699 CV 1 ASSI { 980} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.25176E-02 ppm1 8.617 ppm2 4.648 CV 1 ASSI { 983} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.400 1.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.92820E-03 ppm1 8.617 ppm2 3.491 CV 1 ASSI { 984} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.49941E-02 ppm1 8.617 ppm2 3.131 CV 1 ASSI { 986} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB )) 3.200 1.300 1.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.33576E-02 ppm1 8.621 ppm2 1.777 CV 1 ASSI { 987} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HB% ) 2.700 2.700 3.300 peak 987 spectrum 1 weight 0.10000E+01 volume 0.65746E-03 ppm1 8.621 ppm2 1.412 CV 1 ASSI { 988} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HG2%) 3.400 1.400 1.400 peak 988 spectrum 1 weight 0.10000E+01 volume 0.76107E-03 ppm1 8.622 ppm2 0.566 CV 1 ASSI { 989} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD1%) 4.000 2.000 2.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 8.621 ppm2 0.151 CV 1 ASSI { 992} (( segid " " and resid 152 and name HN )) (( segid " " and resid 112 and name HD21)) 4.200 2.300 1.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.37764E-03 ppm1 8.444 ppm2 7.577 CV 1 ASSI { 995} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HN )) 4.600 2.700 1.400 peak 995 spectrum 1 weight 0.10000E+01 volume 0.42003E-03 ppm1 7.831 ppm2 7.344 CV 1 ASSI { 996} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.57987E-03 ppm1 7.829 ppm2 8.646 CV 1 ASSI { 998} (( segid " " and resid 134 and name HN )) (( segid " " and resid 101 and name HD22)) 3.700 1.700 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.97956E-03 ppm1 7.825 ppm2 6.868 CV 1 ASSI { 999} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.400 0.700 0.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.53338E-02 ppm1 7.826 ppm2 4.659 CV 1 ASSI { 1002} (( segid " " and resid 134 and name HN )) (( segid " " and resid 101 and name HB2 )) 4.800 2.900 1.200 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.19024E-03 ppm1 7.828 ppm2 3.079 CV 1 ASSI { 1003} (( segid " " and resid 134 and name HN )) ( segid " " and resid 133 and name HG2%) 3.500 1.600 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 7.826 ppm2 1.234 CV 1 ASSI { 1004} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HB% ) 2.300 2.300 3.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.10603E-01 ppm1 7.828 ppm2 1.064 CV 1 ASSI { 1007} (( segid " " and resid 59 and name HN )) (( segid " " and resid 151 and name HB1 )) 4.100 2.100 1.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.52530E-03 ppm1 7.672 ppm2 2.707 CV 1 OR { 1007} (( segid " " and resid 59 and name HN )) (( segid " " and resid 151 and name HB2 )) ASSI { 1010} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 3.300 1.400 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.90887E-03 ppm1 7.466 ppm2 4.938 CV 1 ASSI { 1011} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17863E-02 ppm1 7.466 ppm2 4.403 CV 1 ASSI { 1012} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.500 1.600 1.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 7.467 ppm2 4.139 CV 1 ASSI { 1013} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.000 2.000 2.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.38486E-03 ppm1 7.465 ppm2 3.831 CV 1 ASSI { 1014} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HE2 )) 5.000 3.100 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.30646E-03 ppm1 7.468 ppm2 3.157 CV 1 OR { 1014} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HE1 )) ASSI { 1016} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.200 2.200 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.68911E-03 ppm1 7.466 ppm2 2.423 CV 1 ASSI { 1017} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.30168E-02 ppm1 7.468 ppm2 2.152 CV 1 ASSI { 1019} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 3.200 1.200 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.19110E-02 ppm1 7.467 ppm2 1.507 CV 1 ASSI { 1020} (( segid " " and resid 54 and name HN )) (( segid " " and resid 152 and name HG1 )) 5.100 3.300 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.26163E-03 ppm1 7.468 ppm2 1.294 CV 1 OR { 1020} (( segid " " and resid 54 and name HN )) (( segid " " and resid 152 and name HG2 )) ASSI { 1023} (( segid " " and resid 54 and name HN )) (( segid " " and resid 60 and name HG1 )) 3.300 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.92087E-03 ppm1 7.466 ppm2 0.781 CV 1 OR { 1023} (( segid " " and resid 54 and name HN )) (( segid " " and resid 60 and name HG2 )) ASSI { 1024} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) 4.500 2.500 1.500 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.42957E-03 ppm1 7.460 ppm2 8.296 CV 1 ASSI { 1028} (( segid " " and resid 83 and name HN )) ( segid " " and resid 156 and name HE% ) 4.200 2.200 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.43444E-03 ppm1 9.003 ppm2 7.653 CV 1 ASSI { 1029} (( segid " " and resid 83 and name HN )) (( segid " " and resid 156 and name HZ )) 4.700 2.800 1.300 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.31451E-03 ppm1 9.006 ppm2 7.172 CV 1 ASSI { 1030} (( segid " " and resid 83 and name HN )) (( segid " " and resid 74 and name HN )) 4.500 2.500 1.500 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.54767E-03 ppm1 9.004 ppm2 6.960 CV 1 ASSI { 1031} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HD% ) 3.000 1.100 1.100 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 9.003 ppm2 6.769 CV 1 ASSI { 1032} (( segid " " and resid 83 and name HN )) (( segid " " and resid 72 and name HN )) 2.900 1.100 1.100 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.19443E-02 ppm1 9.004 ppm2 6.668 CV 1 ASSI { 1035} (( segid " " and resid 83 and name HN )) (( segid " " and resid 73 and name HA )) 3.700 1.700 1.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.71905E-03 ppm1 9.005 ppm2 4.861 CV 1 ASSI { 1036} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.900 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.20815E-02 ppm1 9.004 ppm2 2.600 CV 1 ASSI { 1038} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.000 2.000 2.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.13413E-02 ppm1 9.004 ppm2 1.833 CV 1 ASSI { 1041} (( segid " " and resid 83 and name HN )) ( segid " " and resid 74 and name HB% ) 3.800 1.800 1.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.87516E-03 ppm1 9.004 ppm2 0.179 CV 1 ASSI { 1042} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HE% ) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.79538E-03 ppm1 9.004 ppm2 6.433 CV 1 ASSI { 1044} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 4.300 2.300 1.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.64792E-03 ppm1 9.004 ppm2 2.322 CV 1 ASSI { 1046} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HN )) 4.700 2.800 1.300 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.34499E-03 ppm1 8.811 ppm2 8.382 CV 1 ASSI { 1047} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.57929E-03 ppm1 8.812 ppm2 8.222 CV 1 ASSI { 1048} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HA )) 2.700 2.700 3.300 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.37990E-02 ppm1 8.808 ppm2 4.234 CV 1 ASSI { 1049} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.600 0.800 0.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.52249E-02 ppm1 8.808 ppm2 4.031 CV 1 OR { 1049} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 1050} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) 4.400 2.500 1.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.31379E-03 ppm1 8.809 ppm2 3.387 CV 1 ASSI { 1051} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG2 )) 4.000 2.000 2.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.58342E-03 ppm1 8.811 ppm2 2.769 CV 1 ASSI { 1052} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG1 )) 4.400 2.400 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.54698E-03 ppm1 8.812 ppm2 2.670 CV 1 ASSI { 1053} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.32897E-02 ppm1 8.807 ppm2 2.230 CV 1 OR { 1053} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 1054} (( segid " " and resid 20 and name HN )) ( segid " " and resid 21 and name HB% ) 4.400 2.400 1.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.91643E-03 ppm1 8.806 ppm2 1.429 CV 1 ASSI { 1056} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG2%) 2.900 2.900 3.100 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.40013E-03 ppm1 8.808 ppm2 0.874 CV 1 OR { 1056} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG1%) ASSI { 1060} (( segid " " and resid 152 and name HN )) (( segid " " and resid 112 and name HB1 )) 5.000 3.100 1.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.21124E-03 ppm1 8.446 ppm2 3.037 CV 1 ASSI { 1061} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 4.000 2.000 2.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.33066E-03 ppm1 8.471 ppm2 3.798 CV 1 ASSI { 1062} (( segid " " and resid 152 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.000 3.000 3.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.32726E-03 ppm1 8.467 ppm2 3.478 CV 1 ASSI { 1063} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG2 )) 4.400 2.400 1.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.16598E-03 ppm1 8.457 ppm2 1.245 CV 1 OR { 1063} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HG1 )) ASSI { 1065} (( segid " " and resid 152 and name HN )) (( segid " " and resid 112 and name HD22)) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.36149E-03 ppm1 8.447 ppm2 7.073 CV 1 ASSI { 1067} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 2.500 0.800 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.53598E-02 ppm1 8.443 ppm2 5.500 CV 1 ASSI { 1069} (( segid " " and resid 152 and name HN )) (( segid " " and resid 112 and name HA )) 3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.89375E-03 ppm1 8.444 ppm2 4.275 CV 1 ASSI { 1070} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB1 )) 3.400 1.400 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.19130E-02 ppm1 8.443 ppm2 2.671 CV 1 OR { 1070} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) ASSI { 1071} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD1 )) 2.900 2.900 3.100 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 8.443 ppm2 1.565 CV 1 OR { 1071} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HD2 )) ASSI { 1072} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA )) 4.600 2.600 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.32138E-03 ppm1 8.232 ppm2 5.229 CV 1 ASSI { 1073} (( segid " " and resid 68 and name HN )) (( segid " " and resid 87 and name HN )) 3.100 1.200 1.200 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 8.228 ppm2 7.900 CV 1 ASSI { 1074} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 4.100 2.100 1.900 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.48866E-03 ppm1 8.230 ppm2 7.257 CV 1 ASSI { 1075} (( segid " " and resid 68 and name HN )) (( segid " " and resid 88 and name HH11)) 4.400 2.400 1.600 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.53856E-03 ppm1 8.229 ppm2 6.633 CV 1 OR { 1075} (( segid " " and resid 68 and name HN )) (( segid " " and resid 88 and name HH12)) ASSI { 1077} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HA )) 4.500 2.600 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.36160E-03 ppm1 8.227 ppm2 5.595 CV 1 ASSI { 1078} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 3.300 1.300 1.300 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.87229E-03 ppm1 8.233 ppm2 4.928 CV 1 ASSI { 1080} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA2 )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.20389E-02 ppm1 8.232 ppm2 4.396 CV 1 ASSI { 1081} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA1 )) 2.400 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.24325E-02 ppm1 8.227 ppm2 3.911 CV 1 ASSI { 1082} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG1 )) 3.800 1.800 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.63403E-03 ppm1 8.229 ppm2 2.328 CV 1 ASSI { 1084} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB1 )) 3.700 1.700 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 8.232 ppm2 1.985 CV 1 ASSI { 1085} (( segid " " and resid 68 and name HN )) ( segid " " and resid 86 and name HD1%) 3.300 1.400 1.400 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.92182E-03 ppm1 8.228 ppm2 1.096 CV 1 ASSI { 1090} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HN )) 4.800 2.900 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.18806E-03 ppm1 7.799 ppm2 8.819 CV 1 ASSI { 1094} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.73028E-02 ppm1 7.799 ppm2 4.064 CV 1 OR { 1094} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) ASSI { 1095} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HB2 )) 5.100 3.200 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.20318E-03 ppm1 7.799 ppm2 3.115 CV 1 ASSI { 1097} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) 2.600 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.38672E-02 ppm1 7.670 ppm2 8.263 CV 1 ASSI { 1098} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.300 0.700 0.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.47864E-02 ppm1 7.670 ppm2 8.063 CV 1 ASSI { 1100} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.000 2.000 4.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.91279E-02 ppm1 7.671 ppm2 3.735 CV 1 ASSI { 1101} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.500 1.500 1.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 7.673 ppm2 2.187 CV 1 ASSI { 1102} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.000 1.100 1.100 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.23251E-02 ppm1 7.669 ppm2 1.632 CV 1 ASSI { 1103} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG1 )) 2.800 1.000 1.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.27746E-02 ppm1 7.669 ppm2 1.303 CV 1 OR { 1103} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 1107} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HD% ) 3.400 1.500 1.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.84995E-03 ppm1 7.410 ppm2 6.838 CV 1 ASSI { 1108} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HE% ) 5.100 3.300 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.19847E-03 ppm1 7.406 ppm2 6.553 CV 1 ASSI { 1111} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.12670E-02 ppm1 7.412 ppm2 4.368 CV 1 ASSI { 1112} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.500 1.500 1.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.71286E-03 ppm1 7.412 ppm2 4.151 CV 1 ASSI { 1113} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.15442E-02 ppm1 7.410 ppm2 3.839 CV 1 ASSI { 1114} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.31929E-02 ppm1 7.409 ppm2 2.430 CV 1 ASSI { 1116} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HB1 )) 4.200 2.200 1.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.76943E-03 ppm1 7.409 ppm2 1.812 CV 1 ASSI { 1118} (( segid " " and resid 53 and name HN )) ( segid " " and resid 85 and name HG2%) 3.400 3.400 2.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 7.409 ppm2 1.125 CV 1 ASSI { 1123} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.52175E-03 ppm1 7.008 ppm2 7.354 CV 1 ASSI { 1125} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 3.100 3.100 2.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 7.007 ppm2 4.024 CV 1 ASSI { 1126} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.600 2.600 3.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.75628E-03 ppm1 7.009 ppm2 3.837 CV 1 OR { 1126} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1127} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB )) 2.700 0.900 0.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.24323E-02 ppm1 7.008 ppm2 2.226 CV 1 ASSI { 1128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.37002E-02 ppm1 7.007 ppm2 2.010 CV 1 ASSI { 1131} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) 3.700 1.700 1.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.26017E-02 ppm1 7.008 ppm2 0.931 CV 1 ASSI { 1137} (( segid " " and resid 109 and name HN )) ( segid " " and resid 155 and name HD% ) 5.500 3.800 0.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.24230E-03 ppm1 8.768 ppm2 7.208 CV 1 ASSI { 1138} (( segid " " and resid 109 and name HN )) (( segid " " and resid 132 and name HA )) 4.000 2.000 2.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.36613E-03 ppm1 8.767 ppm2 4.646 CV 1 ASSI { 1139} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA2 )) 2.500 0.800 0.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.25901E-02 ppm1 8.767 ppm2 4.222 CV 1 ASSI { 1141} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 4.900 3.000 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.24988E-03 ppm1 8.767 ppm2 9.458 CV 1 ASSI { 1142} (( segid " " and resid 109 and name HN )) ( segid " " and resid 109 and name HD% ) 3.500 1.500 1.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.15176E-02 ppm1 8.768 ppm2 7.059 CV 1 ASSI { 1144} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HA2 )) 4.600 2.700 1.400 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.17299E-03 ppm1 8.764 ppm2 5.146 CV 1 ASSI { 1147} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HN )) 4.200 2.200 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.54693E-03 ppm1 8.394 ppm2 8.011 CV 1 ASSI { 1148} (( segid " " and resid 94 and name HN )) (( segid " " and resid 151 and name HD21)) 5.400 3.700 0.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.19191E-03 ppm1 8.396 ppm2 7.219 CV 1 ASSI { 1149} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 8.395 ppm2 3.820 CV 1 ASSI { 1150} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HA )) 3.300 1.400 1.400 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 8.393 ppm2 3.637 CV 1 ASSI { 1151} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.29566E-02 ppm1 8.393 ppm2 3.448 CV 1 ASSI { 1154} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HB1 )) 4.200 2.200 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.26826E-03 ppm1 8.395 ppm2 1.808 CV 1 ASSI { 1158} (( segid " " and resid 94 and name HN )) ( segid " " and resid 89 and name HD1%) 2.800 2.800 3.200 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.35811E-02 ppm1 8.393 ppm2 0.553 CV 1 ASSI { 1159} (( segid " " and resid 94 and name HN )) ( segid " " and resid 89 and name HD2%) 4.100 2.100 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.39778E-03 ppm1 8.393 ppm2 0.266 CV 1 ASSI { 1161} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.400 1.400 1.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.96206E-03 ppm1 8.380 ppm2 2.797 CV 1 ASSI { 1162} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HD1 )) 4.800 2.900 1.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.26820E-03 ppm1 8.391 ppm2 1.597 CV 1 OR { 1162} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HD2 )) ASSI { 1165} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HA )) 2.600 2.600 3.400 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.75296E-03 ppm1 8.370 ppm2 4.412 CV 1 ASSI { 1166} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.400 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 8.372 ppm2 3.961 CV 1 OR { 1166} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 1168} (( segid " " and resid 60 and name HN )) (( segid " " and resid 152 and name HG1 )) 3.600 1.600 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 8.255 ppm2 1.279 CV 1 OR { 1168} (( segid " " and resid 60 and name HN )) (( segid " " and resid 152 and name HG2 )) ASSI { 1169} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HN )) 3.800 1.800 1.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 8.258 ppm2 8.653 CV 1 ASSI { 1171} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.100 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.61387E-02 ppm1 8.255 ppm2 3.738 CV 1 ASSI { 1172} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HE2 )) 3.300 3.300 2.700 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.28713E-02 ppm1 8.255 ppm2 3.017 CV 1 OR { 1172} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HE1 )) ASSI { 1173} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.200 1.300 1.300 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.18820E-02 ppm1 8.255 ppm2 2.479 CV 1 ASSI { 1174} (( segid " " and resid 60 and name HN )) (( segid " " and resid 152 and name HB2 )) 3.400 1.400 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 8.255 ppm2 1.830 CV 1 ASSI { 1181} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HD21)) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.70074E-03 ppm1 8.069 ppm2 7.053 CV 1 ASSI { 1182} (( segid " " and resid 58 and name HN )) (( segid " " and resid 55 and name HA )) 5.500 3.700 0.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.20160E-03 ppm1 8.073 ppm2 5.017 CV 1 ASSI { 1183} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.18242E-02 ppm1 8.073 ppm2 4.769 CV 1 ASSI { 1186} (( segid " " and resid 58 and name HN )) (( segid " " and resid 151 and name HB1 )) 3.700 1.700 1.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.16018E-02 ppm1 8.068 ppm2 2.744 CV 1 OR { 1186} (( segid " " and resid 58 and name HN )) (( segid " " and resid 151 and name HB2 )) ASSI { 1190} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HN )) 4.600 2.600 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.39617E-03 ppm1 8.007 ppm2 9.458 CV 1 ASSI { 1192} (( segid " " and resid 155 and name HN )) (( segid " " and resid 63 and name HD22)) 4.500 2.600 1.500 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.30941E-03 ppm1 8.008 ppm2 6.635 CV 1 OR { 1192} (( segid " " and resid 155 and name HN )) (( segid " " and resid 63 and name HD21)) ASSI { 1194} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) 2.100 0.600 0.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.51800E-02 ppm1 8.008 ppm2 5.216 CV 1 ASSI { 1196} (( segid " " and resid 155 and name HN )) (( segid " " and resid 61 and name HA )) 3.300 1.400 1.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.62756E-02 ppm1 8.006 ppm2 4.568 CV 1 ASSI { 1199} (( segid " " and resid 155 and name HN )) (( segid " " and resid 64 and name HD1 )) 3.600 1.600 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.72022E-03 ppm1 8.008 ppm2 3.018 CV 1 ASSI { 1205} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.900 1.100 1.100 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.19272E-02 ppm1 7.824 ppm2 4.848 CV 1 ASSI { 1206} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 4.700 2.700 1.300 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.47423E-03 ppm1 7.823 ppm2 3.827 CV 1 ASSI { 1207} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.000 1.100 1.100 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.27477E-02 ppm1 7.824 ppm2 2.820 CV 1 ASSI { 1210} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.300 3.300 2.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.17420E-03 ppm1 7.799 ppm2 2.198 CV 1 OR { 1210} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 1212} (( segid " " and resid 23 and name HN )) ( segid " " and resid 25 and name HG2%) 4.700 2.800 1.300 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.28446E-03 ppm1 7.799 ppm2 0.555 CV 1 ASSI { 1214} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 4.000 2.000 2.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.65910E-03 ppm1 7.652 ppm2 8.893 CV 1 ASSI { 1216} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.700 0.900 0.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.14334E-02 ppm1 7.651 ppm2 4.784 CV 1 ASSI { 1218} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.600 0.900 0.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.49849E-02 ppm1 7.653 ppm2 2.863 CV 1 ASSI { 1219} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB1 )) 2.700 0.900 0.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.45022E-02 ppm1 7.652 ppm2 2.420 CV 1 ASSI { 1222} (( segid " " and resid 109 and name HN )) (( segid " " and resid 130 and name HA )) 4.600 2.700 1.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.32388E-03 ppm1 8.767 ppm2 4.893 CV 1 ASSI { 1224} (( segid " " and resid 109 and name HN )) (( segid " " and resid 132 and name HB1 )) 5.500 3.700 0.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.19326E-03 ppm1 8.770 ppm2 3.819 CV 1 ASSI { 1227} (( segid " " and resid 109 and name HN )) ( segid " " and resid 122 and name HE% ) 4.600 2.700 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.27334E-03 ppm1 8.768 ppm2 6.375 CV 1 ASSI { 1233} (( segid " " and resid 109 and name HN )) ( segid " " and resid 130 and name HB% ) 3.800 3.800 2.200 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.59685E-03 ppm1 8.768 ppm2 0.571 CV 1 ASSI { 1237} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.500 1.600 1.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 7.825 ppm2 4.600 CV 1 ASSI { 1239} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HN )) 5.000 3.100 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.21404E-03 ppm1 7.668 ppm2 8.618 CV 1 ASSI { 1241} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HD% ) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.20044E-02 ppm1 7.668 ppm2 7.293 CV 1 ASSI { 1243} (( segid " " and resid 29 and name HN )) ( segid " " and resid 35 and name HE% ) 4.300 2.300 1.700 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.40047E-03 ppm1 7.668 ppm2 6.851 CV 1 ASSI { 1244} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HE% ) 5.300 3.500 0.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.37698E-03 ppm1 7.668 ppm2 6.667 CV 1 ASSI { 1245} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.51682E-03 ppm1 7.668 ppm2 4.605 CV 1 ASSI { 1248} (( segid " " and resid 29 and name HN )) (( segid " " and resid 25 and name HA )) 4.100 2.100 1.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.61447E-03 ppm1 7.668 ppm2 3.520 CV 1 ASSI { 1249} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.500 1.600 1.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.27416E-02 ppm1 7.670 ppm2 2.651 CV 1 ASSI { 1251} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.900 1.000 1.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.14931E-02 ppm1 7.670 ppm2 1.934 CV 1 ASSI { 1259} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.800 1.000 1.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.31875E-02 ppm1 7.235 ppm2 3.659 CV 1 OR { 1259} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 1262} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HG2%) 4.000 2.000 2.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.99228E-03 ppm1 7.235 ppm2 1.173 CV 1 ASSI { 1265} (( segid " " and resid 37 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.800 1.800 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.84849E-03 ppm1 9.025 ppm2 2.188 CV 1 OR { 1265} (( segid " " and resid 37 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1270} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.500 2.500 3.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.61089E-02 ppm1 9.021 ppm2 4.082 CV 1 ASSI { 1271} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.300 1.400 1.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.16286E-02 ppm1 9.025 ppm2 3.867 CV 1 OR { 1271} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 1272} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA1 )) 2.700 0.900 0.900 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.33370E-02 ppm1 9.025 ppm2 3.706 CV 1 ASSI { 1275} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 8.610 ppm2 8.909 CV 1 ASSI { 1277} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) 3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.55054E-03 ppm1 8.606 ppm2 7.020 CV 1 ASSI { 1279} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) 2.900 1.100 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.28142E-02 ppm1 8.608 ppm2 4.320 CV 1 ASSI { 1282} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB2 )) 4.400 2.400 1.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.84789E-03 ppm1 8.608 ppm2 3.284 CV 1 ASSI { 1283} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB1 )) 4.400 2.400 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.58350E-03 ppm1 8.605 ppm2 2.999 CV 1 ASSI { 1284} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB )) 4.800 2.800 1.200 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.48087E-03 ppm1 8.607 ppm2 2.205 CV 1 ASSI { 1285} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HG11)) 4.300 2.300 1.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.79893E-03 ppm1 8.606 ppm2 1.669 CV 1 OR { 1285} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 1286} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HG2%) 2.600 2.600 3.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.59631E-02 ppm1 8.605 ppm2 1.320 CV 1 ASSI { 1289} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HN )) 2.900 1.100 1.100 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 8.240 ppm2 8.881 CV 1 ASSI { 1292} (( segid " " and resid 89 and name HN )) (( segid " " and resid 60 and name HA )) 4.600 2.700 1.400 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.41912E-03 ppm1 8.240 ppm2 5.326 CV 1 ASSI { 1295} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.900 1.100 1.100 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 8.240 ppm2 4.180 CV 1 ASSI { 1296} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.28413E-02 ppm1 8.240 ppm2 3.934 CV 1 ASSI { 1298} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 4.800 2.900 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.38417E-03 ppm1 8.240 ppm2 2.083 CV 1 ASSI { 1299} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG )) 3.200 3.200 2.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.38277E-02 ppm1 8.238 ppm2 1.301 CV 1 ASSI { 1300} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.000 1.100 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.15985E-02 ppm1 8.239 ppm2 1.001 CV 1 ASSI { 1301} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HD1%) 3.800 1.800 1.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 8.239 ppm2 0.559 CV 1 ASSI { 1302} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HD2%) 3.800 3.800 2.200 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.13609E-02 ppm1 8.240 ppm2 0.298 CV 1 ASSI { 1318} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG )) 4.300 2.300 1.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.49766E-03 ppm1 7.671 ppm2 1.650 CV 1 ASSI { 1320} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.18097E-02 ppm1 6.927 ppm2 4.559 CV 1 ASSI { 1321} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.000 2.000 2.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.43352E-03 ppm1 6.930 ppm2 3.958 CV 1 OR { 1321} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 1322} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD2 )) 4.400 2.500 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.38706E-03 ppm1 6.931 ppm2 3.702 CV 1 OR { 1322} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD1 )) ASSI { 1324} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.33150E-02 ppm1 6.927 ppm2 8.044 CV 1 ASSI { 1325} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.300 1.300 1.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 6.927 ppm2 4.129 CV 1 ASSI { 1326} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 2.500 0.800 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.51957E-02 ppm1 6.927 ppm2 1.987 CV 1 ASSI { 1327} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG11)) 2.400 0.700 0.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.86513E-02 ppm1 6.926 ppm2 1.404 CV 1 OR { 1327} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG12)) ASSI { 1328} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HD1%) 3.900 1.900 1.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.17454E-02 ppm1 6.926 ppm2 1.121 CV 1 ASSI { 1332} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB )) 3.900 1.900 1.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.76324E-03 ppm1 8.919 ppm2 2.002 CV 1 ASSI { 1333} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.800 1.800 1.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.42886E-03 ppm1 8.877 ppm2 2.091 CV 1 ASSI { 1336} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) 4.200 2.200 1.800 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.49113E-03 ppm1 8.727 ppm2 4.420 CV 1 ASSI { 1337} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA2 )) 3.300 1.400 1.400 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.19614E-02 ppm1 8.726 ppm2 4.221 CV 1 ASSI { 1338} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA1 )) 3.400 1.400 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.83013E-03 ppm1 8.728 ppm2 3.920 CV 1 ASSI { 1339} (( segid " " and resid 104 and name HN )) ( segid " " and resid 104 and name HG2%) 3.400 1.400 1.400 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.12804E-02 ppm1 8.726 ppm2 1.354 CV 1 ASSI { 1341} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 1.700 0.400 0.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.36403E-01 ppm1 8.471 ppm2 8.332 CV 1 ASSI { 1342} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HN )) 4.700 2.800 1.300 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.35120E-03 ppm1 8.470 ppm2 8.070 CV 1 ASSI { 1343} (( segid " " and resid 56 and name HN )) (( segid " " and resid 59 and name HN )) 5.300 3.500 0.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.22302E-03 ppm1 8.470 ppm2 7.669 CV 1 ASSI { 1344} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.100 0.600 0.600 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.10804E-01 ppm1 8.470 ppm2 5.029 CV 1 ASSI { 1347} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HB )) 5.400 3.600 0.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.30609E-03 ppm1 8.470 ppm2 4.191 CV 1 ASSI { 1349} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.100 2.100 1.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.61401E-03 ppm1 8.471 ppm2 3.031 CV 1 ASSI { 1350} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.400 1.400 1.400 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 8.470 ppm2 2.490 CV 1 ASSI { 1353} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) 2.500 0.800 0.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.54681E-02 ppm1 8.470 ppm2 1.320 CV 1 ASSI { 1358} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA2 )) 2.300 0.600 0.600 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.95845E-02 ppm1 8.922 ppm2 4.111 CV 1 ASSI { 1363} (( segid " " and resid 88 and name HN )) (( segid " " and resid 60 and name HA )) 3.700 1.700 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.31276E-03 ppm1 8.878 ppm2 5.319 CV 1 ASSI { 1364} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.21663E-02 ppm1 8.878 ppm2 4.855 CV 1 ASSI { 1367} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.100 1.200 1.200 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.13943E-02 ppm1 8.878 ppm2 1.748 CV 1 ASSI { 1369} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD1 )) 5.600 3.900 0.400 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.24781E-03 ppm1 8.876 ppm2 3.201 CV 1 OR { 1369} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HD2 )) ASSI { 1374} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.100 0.600 0.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.64434E-02 ppm1 8.777 ppm2 4.510 CV 1 ASSI { 1375} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA2 )) 2.300 0.700 0.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.37469E-02 ppm1 8.777 ppm2 3.894 CV 1 ASSI { 1378} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HG2%) 3.800 1.800 1.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.72025E-03 ppm1 8.777 ppm2 0.585 CV 1 ASSI { 1380} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.28609E-02 ppm1 8.389 ppm2 4.321 CV 1 OR { 1380} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 1381} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.600 0.900 0.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.34739E-02 ppm1 8.388 ppm2 4.088 CV 1 ASSI { 1382} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.300 2.300 1.700 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.48274E-03 ppm1 8.389 ppm2 2.877 CV 1 ASSI { 1383} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG1 )) 4.700 2.800 1.300 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.36226E-03 ppm1 8.384 ppm2 2.481 CV 1 OR { 1383} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 1385} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.22725E-02 ppm1 8.389 ppm2 1.691 CV 1 ASSI { 1386} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.100 1.200 1.200 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 8.389 ppm2 0.935 CV 1 ASSI { 1388} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 3.200 1.200 1.200 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.10971E-02 ppm1 7.988 ppm2 8.735 CV 1 ASSI { 1391} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 2.900 2.900 3.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.36134E-02 ppm1 7.988 ppm2 4.381 CV 1 ASSI { 1392} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HA2 )) 3.700 1.700 1.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 7.990 ppm2 4.211 CV 1 ASSI { 1394} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 2.700 0.900 0.900 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.32786E-02 ppm1 7.986 ppm2 3.856 CV 1 ASSI { 1396} (( segid " " and resid 105 and name HN )) ( segid " " and resid 104 and name HG2%) 4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.70218E-03 ppm1 7.989 ppm2 1.336 CV 1 ASSI { 1397} (( segid " " and resid 105 and name HN )) ( segid " " and resid 106 and name HB% ) 4.300 2.300 1.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.72586E-03 ppm1 7.984 ppm2 1.129 CV 1 ASSI { 1401} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HN )) 3.900 1.900 1.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 7.799 ppm2 8.380 CV 1 ASSI { 1402} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 2.600 0.800 0.800 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.33379E-02 ppm1 7.802 ppm2 8.069 CV 1 ASSI { 1403} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HA )) 5.300 3.500 0.700 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.24383E-03 ppm1 7.800 ppm2 4.363 CV 1 ASSI { 1404} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HA )) 2.600 2.600 3.400 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.61576E-02 ppm1 7.800 ppm2 4.035 CV 1 ASSI { 1405} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.26381E-02 ppm1 7.801 ppm2 3.767 CV 1 ASSI { 1406} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.400 2.400 3.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 7.803 ppm2 3.426 CV 1 ASSI { 1407} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HB1 )) 5.300 3.500 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.19653E-03 ppm1 7.804 ppm2 2.524 CV 1 ASSI { 1408} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB )) 2.700 0.900 0.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.31720E-02 ppm1 7.800 ppm2 2.107 CV 1 ASSI { 1409} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB2 )) 4.600 2.600 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.58247E-03 ppm1 7.800 ppm2 1.801 CV 1 OR { 1409} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HG )) OR { 1409} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 1411} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 3.500 1.500 1.500 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.34905E-02 ppm1 7.798 ppm2 0.878 CV 1 OR { 1411} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG1%) ASSI { 1412} (( segid " " and resid 96 and name HN )) ( segid " " and resid 93 and name HB% ) 4.700 2.800 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.46280E-03 ppm1 7.799 ppm2 0.537 CV 1 ASSI { 1414} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.43811E-02 ppm1 7.360 ppm2 8.041 CV 1 ASSI { 1415} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.25454E-02 ppm1 7.360 ppm2 7.225 CV 1 ASSI { 1418} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 3.600 1.600 1.600 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.60015E-03 ppm1 7.361 ppm2 4.250 CV 1 ASSI { 1421} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.30342E-02 ppm1 7.361 ppm2 3.062 CV 1 ASSI { 1422} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.56663E-02 ppm1 7.358 ppm2 2.758 CV 1 ASSI { 1423} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.18471E-02 ppm1 7.360 ppm2 1.914 CV 1 ASSI { 1424} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.600 1.600 1.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.14051E-02 ppm1 7.360 ppm2 1.546 CV 1 ASSI { 1427} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HD1%) 3.300 1.300 1.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 7.362 ppm2 0.778 CV 1 ASSI { 1429} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 3.900 1.900 1.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.37432E-03 ppm1 9.020 ppm2 8.632 CV 1 ASSI { 1432} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HD% ) 4.400 2.400 1.600 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.66654E-03 ppm1 9.020 ppm2 6.762 CV 1 ASSI { 1433} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA2 )) 2.800 1.000 1.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.24439E-02 ppm1 9.020 ppm2 4.705 CV 1 ASSI { 1434} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 2.000 0.500 0.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.97733E-02 ppm1 9.020 ppm2 4.562 CV 1 ASSI { 1435} (( segid " " and resid 123 and name HN )) (( segid " " and resid 132 and name HB2 )) 5.200 3.300 0.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.26511E-03 ppm1 9.019 ppm2 4.276 CV 1 ASSI { 1437} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA1 )) 2.500 0.800 0.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.29377E-02 ppm1 9.021 ppm2 3.780 CV 1 ASSI { 1438} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 4.000 2.000 2.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.86900E-03 ppm1 9.021 ppm2 2.822 CV 1 ASSI { 1439} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.100 1.200 1.200 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.11901E-02 ppm1 9.020 ppm2 2.504 CV 1 ASSI { 1440} (( segid " " and resid 123 and name HN )) (( segid " " and resid 131 and name HB2 )) 5.400 3.600 0.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.18332E-03 ppm1 9.021 ppm2 2.130 CV 1 ASSI { 1441} (( segid " " and resid 123 and name HN )) (( segid " " and resid 131 and name HB1 )) 5.400 3.600 0.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.31354E-03 ppm1 9.021 ppm2 1.591 CV 1 ASSI { 1442} (( segid " " and resid 123 and name HN )) (( segid " " and resid 131 and name HG2 )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.27181E-03 ppm1 9.021 ppm2 1.459 CV 1 OR { 1442} (( segid " " and resid 123 and name HN )) (( segid " " and resid 131 and name HG1 )) ASSI { 1444} (( segid " " and resid 123 and name HN )) ( segid " " and resid 130 and name HB% ) 3.900 1.900 1.900 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.10095E-02 ppm1 9.020 ppm2 0.557 CV 1 ASSI { 1445} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.100 3.100 2.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.25579E-03 ppm1 8.231 ppm2 2.776 CV 1 OR { 1445} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 1447} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.200 1.300 1.300 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.12553E-02 ppm1 8.231 ppm2 4.571 CV 1 ASSI { 1448} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 8.231 ppm2 4.239 CV 1 ASSI { 1449} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.300 0.700 0.700 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.82076E-02 ppm1 8.231 ppm2 4.059 CV 1 OR { 1449} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) ASSI { 1450} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.600 1.600 1.600 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.90701E-03 ppm1 8.230 ppm2 3.482 CV 1 ASSI { 1452} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.600 2.600 3.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.72034E-03 ppm1 8.230 ppm2 2.180 CV 1 ASSI { 1453} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.48259E-02 ppm1 8.230 ppm2 1.971 CV 1 ASSI { 1454} (( segid " " and resid 16 and name HN )) ( segid " " and resid 14 and name HB% ) 2.900 2.900 3.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.39474E-03 ppm1 8.230 ppm2 1.659 CV 1 ASSI { 1460} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 2.900 2.900 3.100 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.40182E-03 ppm1 7.664 ppm2 8.066 CV 1 ASSI { 1461} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.600 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.46947E-02 ppm1 7.664 ppm2 4.677 CV 1 ASSI { 1465} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.000 1.100 1.100 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.34865E-02 ppm1 7.665 ppm2 2.524 CV 1 ASSI { 1466} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 7.664 ppm2 2.225 CV 1 OR { 1466} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HG1 )) ASSI { 1467} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 3.800 1.800 1.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.77539E-03 ppm1 7.664 ppm2 1.246 CV 1 ASSI { 1475} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB )) 5.100 3.200 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.37604E-03 ppm1 8.416 ppm2 1.964 CV 1 ASSI { 1476} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 2.900 2.900 3.100 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.67133E-02 ppm1 8.413 ppm2 7.229 CV 1 ASSI { 1479} (( segid " " and resid 120 and name HN )) (( segid " " and resid 116 and name HA )) 2.800 2.800 3.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.48801E-03 ppm1 8.413 ppm2 3.641 CV 1 ASSI { 1481} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HG2%) 3.700 1.700 1.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.19441E-02 ppm1 8.411 ppm2 0.588 CV 1 ASSI { 1482} (( segid " " and resid 120 and name HN )) ( segid " " and resid 119 and name HD1%) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.26519E-02 ppm1 8.413 ppm2 -0.202 CV 1 ASSI { 1485} (( segid " " and resid 71 and name HN )) (( segid " " and resid 85 and name HN )) 4.900 3.000 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.18875E-03 ppm1 8.182 ppm2 9.823 CV 1 ASSI { 1486} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.53762E-03 ppm1 8.184 ppm2 9.552 CV 1 ASSI { 1488} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.000 0.500 0.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.99380E-02 ppm1 8.185 ppm2 5.363 CV 1 ASSI { 1492} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB )) 4.200 2.200 1.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.80939E-03 ppm1 8.182 ppm2 1.750 CV 1 ASSI { 1493} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HG2%) 2.800 1.000 1.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18013E-02 ppm1 8.182 ppm2 0.819 CV 1 ASSI { 1496} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HN )) 4.300 2.300 1.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.45839E-03 ppm1 8.118 ppm2 9.029 CV 1 ASSI { 1497} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 2.600 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.22990E-02 ppm1 8.118 ppm2 8.633 CV 1 ASSI { 1500} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HA )) 4.400 2.400 1.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 8.118 ppm2 4.576 CV 1 ASSI { 1502} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB1 )) 2.900 1.000 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.34141E-02 ppm1 8.118 ppm2 3.527 CV 1 ASSI { 1503} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 4.200 2.200 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.70243E-03 ppm1 8.118 ppm2 2.918 CV 1 ASSI { 1504} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB1 )) 4.500 2.600 1.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.61822E-03 ppm1 8.118 ppm2 2.823 CV 1 ASSI { 1505} (( segid " " and resid 125 and name HN )) (( segid " " and resid 131 and name HE1 )) 5.100 3.200 0.900 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.22336E-03 ppm1 8.116 ppm2 2.127 CV 1 OR { 1505} (( segid " " and resid 125 and name HN )) (( segid " " and resid 131 and name HE2 )) ASSI { 1506} (( segid " " and resid 125 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.300 1.400 1.400 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.62607E-03 ppm1 8.117 ppm2 1.598 CV 1 ASSI { 1507} (( segid " " and resid 125 and name HN )) (( segid " " and resid 131 and name HG1 )) 4.400 2.500 1.600 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.72031E-03 ppm1 8.117 ppm2 1.447 CV 1 OR { 1507} (( segid " " and resid 125 and name HN )) (( segid " " and resid 131 and name HG2 )) ASSI { 1508} (( segid " " and resid 125 and name HN )) ( segid " " and resid 129 and name HB% ) 3.700 1.800 1.800 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.60814E-03 ppm1 8.118 ppm2 1.113 CV 1 ASSI { 1510} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HA )) 4.900 3.000 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.38460E-03 ppm1 8.780 ppm2 4.526 CV 1 ASSI { 1513} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HN )) 3.700 1.700 1.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.47540E-03 ppm1 8.780 ppm2 7.010 CV 1 ASSI { 1514} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 3.700 1.700 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 8.780 ppm2 4.724 CV 1 ASSI { 1515} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.13728E-02 ppm1 8.780 ppm2 4.036 CV 1 ASSI { 1517} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.500 3.500 2.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.90171E-03 ppm1 8.779 ppm2 2.914 CV 1 ASSI { 1518} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB1 )) 3.600 1.600 1.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.62349E-03 ppm1 8.779 ppm2 2.677 CV 1 ASSI { 1519} (( segid " " and resid 149 and name HN )) ( segid " " and resid 150 and name HG2%) 4.900 3.100 1.100 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.25089E-03 ppm1 8.778 ppm2 1.028 CV 1 ASSI { 1520} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 8.313 ppm2 8.642 CV 1 ASSI { 1521} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.45097E-02 ppm1 8.311 ppm2 7.414 CV 1 ASSI { 1522} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD21)) 3.900 1.900 1.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.41451E-03 ppm1 8.310 ppm2 7.194 CV 1 ASSI { 1523} (( segid " " and resid 52 and name HN )) ( segid " " and resid 53 and name HD% ) 4.900 3.000 1.100 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.21214E-03 ppm1 8.311 ppm2 6.823 CV 1 ASSI { 1524} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HD22)) 4.300 2.300 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.38855E-03 ppm1 8.315 ppm2 5.970 CV 1 ASSI { 1529} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.48612E-02 ppm1 8.310 ppm2 4.378 CV 1 ASSI { 1531} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) 5.300 3.500 0.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.23409E-03 ppm1 8.313 ppm2 3.850 CV 1 ASSI { 1532} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.300 1.400 1.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.20620E-02 ppm1 8.310 ppm2 2.661 CV 1 OR { 1532} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1533} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.47976E-02 ppm1 8.312 ppm2 2.347 CV 1 OR { 1533} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 1534} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HG2 )) 5.000 3.100 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.44501E-03 ppm1 8.312 ppm2 2.105 CV 1 OR { 1534} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HG1 )) ASSI { 1535} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HB1 )) 3.500 1.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.14483E-02 ppm1 8.311 ppm2 1.824 CV 1 ASSI { 1536} (( segid " " and resid 52 and name HN )) ( segid " " and resid 85 and name HG2%) 4.700 2.800 1.300 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.31308E-03 ppm1 8.313 ppm2 1.101 CV 1 ASSI { 1541} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HD% ) 2.900 1.000 1.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 8.062 ppm2 7.086 CV 1 ASSI { 1543} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.000 1.200 1.200 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 8.061 ppm2 4.645 CV 1 ASSI { 1545} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HD2 )) 4.000 2.000 2.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.10534E-02 ppm1 8.060 ppm2 3.030 CV 1 OR { 1545} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 1546} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.100 1.200 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 8.060 ppm2 2.790 CV 1 ASSI { 1547} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.300 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.35089E-03 ppm1 8.061 ppm2 2.524 CV 1 ASSI { 1548} (( segid " " and resid 65 and name HN )) (( segid " " and resid 86 and name HB2 )) 5.100 3.200 0.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.26732E-03 ppm1 8.061 ppm2 1.832 CV 1 ASSI { 1550} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.600 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.79209E-03 ppm1 8.059 ppm2 0.998 CV 1 ASSI { 1553} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.400 1.400 1.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 8.061 ppm2 3.758 CV 1 ASSI { 1555} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.85112E-03 ppm1 7.759 ppm2 9.032 CV 1 ASSI { 1556} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.42127E-02 ppm1 7.757 ppm2 8.878 CV 1 ASSI { 1559} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD% ) 4.600 2.600 1.400 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.42129E-03 ppm1 7.756 ppm2 6.175 CV 1 ASSI { 1560} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HA )) 2.600 2.600 3.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.85092E-03 ppm1 7.759 ppm2 4.676 CV 1 ASSI { 1561} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.52115E-02 ppm1 7.757 ppm2 4.046 CV 1 ASSI { 1562} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.300 0.700 0.700 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.10585E-01 ppm1 7.757 ppm2 3.876 CV 1 OR { 1562} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 1563} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.800 1.800 1.800 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.52524E-03 ppm1 7.760 ppm2 2.694 CV 1 ASSI { 1564} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.62209E-03 ppm1 7.756 ppm2 2.195 CV 1 ASSI { 1565} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.27128E-02 ppm1 7.758 ppm2 4.269 CV 1 ASSI { 1567} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.200 2.200 1.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.59364E-03 ppm1 7.757 ppm2 2.392 CV 1 ASSI { 1572} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 3.600 1.600 1.600 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.47343E-03 ppm1 8.911 ppm2 7.480 CV 1 ASSI { 1574} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.700 0.900 0.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.46598E-02 ppm1 8.910 ppm2 4.706 CV 1 ASSI { 1575} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 2.700 3.300 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.57053E-02 ppm1 8.911 ppm2 4.085 CV 1 ASSI { 1576} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.100 3.100 2.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.25354E-03 ppm1 8.913 ppm2 3.853 CV 1 OR { 1576} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 1577} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.900 1.100 1.100 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.59316E-02 ppm1 8.910 ppm2 3.304 CV 1 ASSI { 1578} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.35321E-02 ppm1 8.911 ppm2 3.011 CV 1 ASSI { 1583} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.30362E-02 ppm1 8.350 ppm2 10.651 CV 1 ASSI { 1584} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 2.600 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.42361E-02 ppm1 8.350 ppm2 8.058 CV 1 ASSI { 1586} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HN )) 4.200 2.200 1.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.55483E-03 ppm1 8.350 ppm2 7.155 CV 1 ASSI { 1588} (( segid " " and resid 117 and name HN )) ( segid " " and resid 83 and name HE% ) 3.900 1.900 1.900 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.65150E-03 ppm1 8.352 ppm2 6.427 CV 1 ASSI { 1589} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.800 1.000 1.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.27311E-02 ppm1 8.348 ppm2 4.292 CV 1 ASSI { 1590} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA2 )) 3.300 1.400 1.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.76903E-03 ppm1 8.350 ppm2 3.879 CV 1 ASSI { 1592} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.22181E-02 ppm1 8.350 ppm2 3.044 CV 1 ASSI { 1593} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.30543E-02 ppm1 8.351 ppm2 2.866 CV 1 ASSI { 1594} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HG1 )) 3.600 1.700 1.700 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.13126E-02 ppm1 8.350 ppm2 1.379 CV 1 ASSI { 1595} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB2 )) 3.500 1.600 1.600 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.99197E-03 ppm1 8.350 ppm2 1.208 CV 1 ASSI { 1596} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HB1 )) 3.200 1.300 1.300 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 8.350 ppm2 0.920 CV 1 ASSI { 1601} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HN )) 5.400 3.600 0.600 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.16411E-03 ppm1 8.352 ppm2 8.770 CV 1 ASSI { 1602} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 5.100 3.300 0.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.28134E-03 ppm1 8.348 ppm2 4.942 CV 1 ASSI { 1605} (( segid " " and resid 133 and name HN )) (( segid " " and resid 124 and name HA )) 4.500 2.600 1.500 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.29386E-03 ppm1 7.362 ppm2 5.017 CV 1 ASSI { 1607} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 5.100 3.200 0.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.17681E-03 ppm1 7.225 ppm2 8.873 CV 1 ASSI { 1610} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) 2.900 2.900 3.100 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.21638E-02 ppm1 7.226 ppm2 4.221 CV 1 ASSI { 1611} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) 3.200 3.200 2.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.23722E-03 ppm1 7.227 ppm2 4.009 CV 1 ASSI { 1612} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.50167E-03 ppm1 7.226 ppm2 3.806 CV 1 ASSI { 1613} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.700 2.800 1.300 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.68937E-03 ppm1 7.226 ppm2 3.072 CV 1 ASSI { 1614} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 3.300 1.300 1.300 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.73079E-03 ppm1 7.224 ppm2 2.745 CV 1 ASSI { 1618} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.500 1.500 1.500 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 8.805 ppm2 2.215 CV 1 OR { 1618} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 1620} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.34550E-02 ppm1 8.808 ppm2 7.652 CV 1 ASSI { 1621} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.47062E-02 ppm1 8.806 ppm2 4.712 CV 1 ASSI { 1623} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.100 1.200 1.200 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 8.805 ppm2 2.485 CV 1 ASSI { 1624} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 3.300 1.300 1.300 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.18479E-02 ppm1 8.806 ppm2 1.225 CV 1 ASSI { 1627} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HN )) 3.100 3.100 2.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.26734E-03 ppm1 7.363 ppm2 9.630 CV 1 ASSI { 1629} (( segid " " and resid 133 and name HN )) (( segid " " and resid 109 and name HN )) 4.600 2.600 1.400 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.17318E-03 ppm1 7.363 ppm2 8.781 CV 1 ASSI { 1632} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB )) 4.100 2.100 1.900 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.60439E-03 ppm1 7.362 ppm2 4.352 CV 1 ASSI { 1633} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB1 )) 4.100 2.100 1.900 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.36031E-03 ppm1 7.363 ppm2 3.804 CV 1 ASSI { 1636} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.300 1.400 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.93749E-03 ppm1 7.363 ppm2 2.117 CV 1 ASSI { 1637} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.500 1.500 1.500 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.46208E-02 ppm1 7.363 ppm2 1.636 CV 1 ASSI { 1638} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HG2 )) 2.600 0.900 0.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.24988E-02 ppm1 7.363 ppm2 1.482 CV 1 OR { 1638} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HG1 )) ASSI { 1640} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.25506E-02 ppm1 7.227 ppm2 4.822 CV 1 ASSI { 1641} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HG )) 4.500 2.500 1.500 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.26431E-03 ppm1 7.228 ppm2 1.607 CV 1 ASSI { 1645} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HN )) 4.500 2.500 1.500 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.39755E-03 ppm1 7.206 ppm2 8.777 CV 1 ASSI { 1647} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HN )) 2.700 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.26655E-02 ppm1 7.206 ppm2 8.055 CV 1 ASSI { 1652} (( segid " " and resid 142 and name HN )) ( segid " " and resid 141 and name HB% ) 2.700 0.900 0.900 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.38079E-02 ppm1 7.206 ppm2 1.430 CV 1 ASSI { 1654} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.000 1.100 1.100 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.15799E-02 ppm1 8.112 ppm2 8.610 CV 1 ASSI { 1656} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.800 1.000 1.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.32061E-02 ppm1 8.114 ppm2 4.788 CV 1 ASSI { 1658} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 4.100 2.100 1.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.69622E-03 ppm1 8.114 ppm2 3.134 CV 1 ASSI { 1659} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.500 1.500 1.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.76748E-03 ppm1 8.114 ppm2 2.885 CV 1 ASSI { 1661} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 2.700 0.900 0.900 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.37532E-02 ppm1 8.114 ppm2 1.290 CV 1 ASSI { 1663} (( segid " " and resid 142 and name HN )) (( segid " " and resid 125 and name HA )) 5.200 3.400 0.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.20891E-03 ppm1 7.207 ppm2 4.770 CV 1 ASSI { 1664} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 4.300 2.300 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.62126E-03 ppm1 7.334 ppm2 8.763 CV 1 ASSI { 1666} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HD% ) 4.100 2.200 1.900 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.21995E-03 ppm1 7.332 ppm2 6.138 CV 1 ASSI { 1667} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 7.333 ppm2 4.755 CV 1 ASSI { 1668} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.600 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.31586E-02 ppm1 7.333 ppm2 4.560 CV 1 ASSI { 1669} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.400 1.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 7.332 ppm2 4.414 CV 1 ASSI { 1671} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.88088E-03 ppm1 7.336 ppm2 3.537 CV 1 ASSI { 1672} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) 3.800 1.800 1.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.87433E-03 ppm1 7.335 ppm2 2.770 CV 1 ASSI { 1673} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HB% ) 2.500 0.800 0.800 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.56715E-02 ppm1 7.333 ppm2 1.681 CV 1 ASSI { 1678} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 2.700 0.900 0.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.34768E-02 ppm1 8.631 ppm2 8.819 CV 1 ASSI { 1679} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HD21)) 4.600 2.700 1.400 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.22154E-03 ppm1 8.628 ppm2 7.759 CV 1 ASSI { 1680} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HD22)) 3.700 1.700 1.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.66176E-03 ppm1 8.629 ppm2 6.864 CV 1 ASSI { 1681} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HA )) 3.600 1.600 1.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.15630E-02 ppm1 8.629 ppm2 4.814 CV 1 ASSI { 1682} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.900 1.100 1.100 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.18487E-02 ppm1 8.629 ppm2 4.422 CV 1 ASSI { 1684} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA1 )) 2.500 0.800 0.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.60516E-02 ppm1 8.630 ppm2 3.907 CV 1 ASSI { 1685} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HB2 )) 4.700 2.700 1.300 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.32754E-03 ppm1 8.629 ppm2 3.126 CV 1 ASSI { 1686} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HB1 )) 4.500 2.600 1.500 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.25673E-03 ppm1 8.632 ppm2 2.531 CV 1 ASSI { 1687} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.700 1.700 1.700 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.90437E-03 ppm1 8.632 ppm2 1.649 CV 1 OR { 1687} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) ASSI { 1688} (( segid " " and resid 103 and name HN )) ( segid " " and resid 106 and name HB% ) 3.700 1.700 1.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.72873E-03 ppm1 8.629 ppm2 1.108 CV 1 ASSI { 1689} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HD1%) 4.700 2.800 1.300 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.44123E-03 ppm1 8.630 ppm2 0.660 CV 1 ASSI { 1690} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HD2%) 5.400 3.700 0.600 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.21321E-03 ppm1 8.634 ppm2 0.526 CV 1 ASSI { 1694} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 4.700 2.800 1.300 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.27241E-03 ppm1 7.898 ppm2 9.183 CV 1 ASSI { 1695} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 5.300 3.500 0.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.16391E-03 ppm1 7.898 ppm2 8.889 CV 1 ASSI { 1698} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HH11)) 4.000 2.000 2.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.16597E-02 ppm1 7.898 ppm2 6.645 CV 1 OR { 1698} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HH12)) ASSI { 1699} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.300 0.600 0.600 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.48102E-02 ppm1 7.898 ppm2 5.620 CV 1 ASSI { 1701} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.86003E-03 ppm1 7.898 ppm2 4.887 CV 1 ASSI { 1702} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB )) 4.400 2.500 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.31706E-03 ppm1 7.898 ppm2 4.585 CV 1 ASSI { 1704} (( segid " " and resid 87 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.400 1.400 1.400 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.46271E-03 ppm1 7.898 ppm2 2.076 CV 1 ASSI { 1705} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB2 )) 4.100 2.100 1.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.83219E-03 ppm1 7.898 ppm2 1.797 CV 1 ASSI { 1706} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 4.000 2.000 2.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.73641E-03 ppm1 7.899 ppm2 1.475 CV 1 ASSI { 1707} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG2%) 2.700 0.900 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.30371E-02 ppm1 7.898 ppm2 1.081 CV 1 ASSI { 1709} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HE% ) 5.300 3.600 0.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.21229E-03 ppm1 7.336 ppm2 6.387 CV 1 ASSI { 1710} (( segid " " and resid 80 and name HN )) (( segid " " and resid 107 and name HB1 )) 6.000 4.900 0.000 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.18981E-03 ppm1 7.333 ppm2 1.047 CV 1 OR { 1710} (( segid " " and resid 80 and name HN )) (( segid " " and resid 107 and name HB2 )) ASSI { 1712} (( segid " " and resid 110 and name HN )) ( segid " " and resid 155 and name HD% ) 5.800 4.200 0.200 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.19852E-03 ppm1 9.483 ppm2 7.223 CV 1 ASSI { 1713} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HA )) 4.000 2.000 2.000 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.24831E-03 ppm1 9.481 ppm2 4.772 CV 1 ASSI { 1714} (( segid " " and resid 110 and name HN )) (( segid " " and resid 155 and name HA )) 3.200 1.300 1.300 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.68218E-03 ppm1 9.477 ppm2 4.551 CV 1 ASSI { 1716} (( segid " " and resid 110 and name HN )) ( segid " " and resid 109 and name HD% ) 3.900 1.900 1.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.33740E-03 ppm1 9.477 ppm2 7.067 CV 1 ASSI { 1719} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.200 0.600 0.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.45948E-02 ppm1 9.478 ppm2 5.505 CV 1 ASSI { 1720} (( segid " " and resid 110 and name HN )) (( segid " " and resid 154 and name HA )) 3.500 3.500 2.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.16720E-02 ppm1 9.476 ppm2 5.192 CV 1 ASSI { 1721} (( segid " " and resid 110 and name HN )) (( segid " " and resid 130 and name HA )) 5.100 3.200 0.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.34195E-03 ppm1 9.476 ppm2 4.885 CV 1 ASSI { 1722} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA1 )) 2.600 0.800 0.800 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 9.476 ppm2 4.113 CV 1 ASSI { 1723} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.700 1.700 1.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.15280E-02 ppm1 9.476 ppm2 3.046 CV 1 ASSI { 1724} (( segid " " and resid 110 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.100 2.100 1.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.58551E-03 ppm1 9.476 ppm2 2.805 CV 1 ASSI { 1727} (( segid " " and resid 110 and name HN )) (( segid " " and resid 131 and name HD1 )) 4.300 2.300 1.700 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.47142E-03 ppm1 9.476 ppm2 1.388 CV 1 ASSI { 1728} (( segid " " and resid 110 and name HN )) ( segid " " and resid 153 and name HG2%) 4.600 2.600 1.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.20931E-03 ppm1 9.477 ppm2 1.102 CV 1 OR { 1728} (( segid " " and resid 110 and name HN )) ( segid " " and resid 153 and name HG1%) ASSI { 1733} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 5.100 3.300 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.19606E-03 ppm1 8.386 ppm2 8.090 CV 1 ASSI { 1734} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.500 0.800 0.800 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.36395E-02 ppm1 8.384 ppm2 7.782 CV 1 ASSI { 1736} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.58812E-02 ppm1 8.385 ppm2 4.340 CV 1 ASSI { 1738} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HA )) 4.300 2.300 1.700 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.49127E-03 ppm1 8.385 ppm2 3.396 CV 1 ASSI { 1739} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.200 3.200 2.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.24547E-03 ppm1 8.385 ppm2 2.216 CV 1 OR { 1739} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 1740} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB )) 4.700 2.700 1.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.35673E-03 ppm1 8.385 ppm2 1.788 CV 1 ASSI { 1742} (( segid " " and resid 22 and name HN )) ( segid " " and resid 18 and name HG1%) 2.500 2.500 3.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 8.385 ppm2 0.913 CV 1 OR { 1742} (( segid " " and resid 22 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1744} (( segid " " and resid 81 and name HN )) (( segid " " and resid 157 and name HN )) 4.700 2.800 1.300 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.23970E-03 ppm1 8.775 ppm2 9.161 CV 1 ASSI { 1746} (( segid " " and resid 81 and name HN )) (( segid " " and resid 156 and name HZ )) 4.400 2.400 1.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.72824E-03 ppm1 8.775 ppm2 7.170 CV 1 ASSI { 1748} (( segid " " and resid 81 and name HN )) ( segid " " and resid 35 and name HD% ) 4.600 2.600 1.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.34819E-03 ppm1 8.783 ppm2 6.184 CV 1 ASSI { 1750} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA1 )) 2.400 0.700 0.700 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.36146E-02 ppm1 8.772 ppm2 3.977 CV 1 ASSI { 1752} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.20537E-02 ppm1 8.776 ppm2 2.758 CV 1 ASSI { 1756} (( segid " " and resid 81 and name HN )) (( segid " " and resid 107 and name HG2 )) 5.200 3.400 0.800 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.19915E-03 ppm1 8.776 ppm2 0.717 CV 1 OR { 1756} (( segid " " and resid 81 and name HN )) (( segid " " and resid 107 and name HG1 )) ASSI { 1757} (( segid " " and resid 81 and name HN )) ( segid " " and resid 74 and name HB% ) 4.500 2.600 1.500 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.24513E-03 ppm1 8.776 ppm2 0.109 CV 1 ASSI { 1758} (( segid " " and resid 81 and name HN )) (( segid " " and resid 107 and name HB1 )) 5.200 3.400 0.800 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.27535E-03 ppm1 8.776 ppm2 1.025 CV 1 ASSI { 1759} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 2.300 0.600 0.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.39766E-02 ppm1 8.118 ppm2 7.237 CV 1 ASSI { 1760} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HD% ) 4.800 2.900 1.200 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.25138E-03 ppm1 8.116 ppm2 7.070 CV 1 ASSI { 1761} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA2 )) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.24961E-02 ppm1 8.118 ppm2 4.521 CV 1 ASSI { 1762} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 4.700 2.700 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.78092E-03 ppm1 8.118 ppm2 4.376 CV 1 ASSI { 1763} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA1 )) 2.400 0.700 0.700 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.37466E-02 ppm1 8.118 ppm2 3.888 CV 1 ASSI { 1764} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 4.000 2.000 2.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.46561E-03 ppm1 8.118 ppm2 3.741 CV 1 ASSI { 1765} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HD2 )) 5.100 3.300 0.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.29675E-03 ppm1 8.118 ppm2 3.010 CV 1 OR { 1765} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 1766} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.300 2.300 1.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.50711E-03 ppm1 8.118 ppm2 2.814 CV 1 ASSI { 1767} (( segid " " and resid 66 and name HN )) (( segid " " and resid 88 and name HB1 )) 6.000 4.700 0.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.16348E-03 ppm1 8.117 ppm2 1.750 CV 1 ASSI { 1772} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HH11)) 3.000 3.000 3.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.52954E-03 ppm1 7.242 ppm2 6.612 CV 1 OR { 1772} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HH12)) ASSI { 1773} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA2 )) 2.900 1.100 1.100 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.22597E-02 ppm1 7.242 ppm2 4.423 CV 1 ASSI { 1775} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB2 )) 4.100 2.100 1.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.51204E-03 ppm1 7.242 ppm2 3.729 CV 1 ASSI { 1776} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HD1 )) 4.800 2.800 1.200 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.37074E-03 ppm1 7.241 ppm2 3.199 CV 1 OR { 1776} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HD2 )) ASSI { 1778} (( segid " " and resid 67 and name HN )) (( segid " " and resid 88 and name HB2 )) 4.300 2.300 1.700 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.71664E-03 ppm1 7.242 ppm2 2.082 CV 1 ASSI { 1783} (( segid " " and resid 72 and name HN )) (( segid " " and resid 83 and name HB2 )) 5.100 3.200 0.900 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.20006E-03 ppm1 6.654 ppm2 2.341 CV 1 ASSI { 1784} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB1 )) 5.000 3.100 1.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.25159E-03 ppm1 6.658 ppm2 2.146 CV 1 OR { 1784} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1785} (( segid " " and resid 72 and name HN )) (( segid " " and resid 85 and name HN )) 5.100 3.300 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.21715E-03 ppm1 6.654 ppm2 9.808 CV 1 ASSI { 1787} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 4.400 2.400 1.600 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.74600E-03 ppm1 6.653 ppm2 8.174 CV 1 ASSI { 1789} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.100 0.500 0.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.92606E-02 ppm1 6.654 ppm2 5.264 CV 1 ASSI { 1791} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA1 )) 2.800 1.000 1.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.21705E-02 ppm1 6.654 ppm2 3.799 CV 1 ASSI { 1792} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB )) 2.700 0.900 0.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.36753E-02 ppm1 6.656 ppm2 1.755 CV 1 ASSI { 1793} (( segid " " and resid 72 and name HN )) (( segid " " and resid 84 and name HB1 )) 5.400 3.600 0.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.31124E-03 ppm1 6.656 ppm2 1.508 CV 1 ASSI { 1795} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HG2%) 3.700 1.700 1.700 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.19487E-02 ppm1 6.658 ppm2 0.814 CV 1 ASSI { 1796} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HG1%) 4.000 2.000 2.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.18254E-02 ppm1 6.658 ppm2 0.572 CV 1 ASSI { 1797} (( segid " " and resid 72 and name HN )) ( segid " " and resid 38 and name HD2%) 2.400 2.400 3.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.14089E-02 ppm1 6.657 ppm2 0.186 CV 1 ASSI { 1799} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 4.900 3.000 1.100 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 7.016 ppm2 4.774 CV 1 ASSI { 1800} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 3.700 1.700 1.700 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.46034E-03 ppm1 7.017 ppm2 4.572 CV 1 ASSI { 1803} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB1 )) 4.800 2.800 1.200 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.19339E-03 ppm1 7.019 ppm2 3.853 CV 1 OR { 1803} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) ASSI { 1804} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HG2%) 3.800 1.800 1.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.60195E-03 ppm1 7.021 ppm2 1.018 CV 1 ASSI { 1806} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB2 )) 5.600 4.000 0.400 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.16378E-03 ppm1 7.014 ppm2 2.913 CV 1 ASSI { 1808} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HN )) 4.300 2.300 1.700 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.40416E-03 ppm1 7.848 ppm2 8.372 CV 1 ASSI { 1809} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 3.500 1.500 1.500 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.90709E-03 ppm1 7.848 ppm2 4.621 CV 1 ASSI { 1810} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 7.848 ppm2 4.186 CV 1 ASSI { 1811} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA2 )) 2.300 0.700 0.700 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.89294E-02 ppm1 7.847 ppm2 3.965 CV 1 OR { 1811} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA1 )) ASSI { 1812} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 4.100 2.100 1.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.33963E-03 ppm1 7.849 ppm2 3.510 CV 1 ASSI { 1813} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.300 1.300 1.300 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 7.847 ppm2 3.119 CV 1 ASSI { 1814} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.800 1.000 1.000 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 7.847 ppm2 2.925 CV 1 ASSI { 1815} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB2 )) 4.800 2.800 1.200 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.47007E-03 ppm1 7.848 ppm2 1.929 CV 1 ASSI { 1816} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB )) 5.100 3.300 0.900 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.30890E-03 ppm1 7.848 ppm2 1.740 CV 1 ASSI { 1817} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HG )) 4.500 2.600 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.34974E-03 ppm1 7.848 ppm2 1.640 CV 1 ASSI { 1818} (( segid " " and resid 27 and name HN )) ( segid " " and resid 24 and name HB% ) 3.000 3.000 3.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.35369E-03 ppm1 7.848 ppm2 1.474 CV 1 ASSI { 1820} (( segid " " and resid 27 and name HN )) ( segid " " and resid 30 and name HD1%) 5.200 3.400 0.800 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.41227E-03 ppm1 7.848 ppm2 0.960 CV 1 OR { 1820} (( segid " " and resid 27 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 1821} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HD1%) 5.100 3.300 0.900 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.39984E-03 ppm1 7.849 ppm2 0.814 CV 1 OR { 1821} (( segid " " and resid 27 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 1824} (( segid " " and resid 108 and name HN )) (( segid " " and resid 158 and name HN )) 6.000 4.500 0.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.28091E-03 ppm1 7.511 ppm2 8.133 CV 1 ASSI { 1825} (( segid " " and resid 108 and name HN )) ( segid " " and resid 80 and name HD% ) 5.600 3.900 0.400 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.17075E-03 ppm1 7.513 ppm2 6.139 CV 1 ASSI { 1827} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HA )) 4.200 2.200 1.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.21527E-03 ppm1 7.511 ppm2 5.510 CV 1 ASSI { 1829} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HG1 )) 4.800 2.800 1.200 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.39274E-03 ppm1 7.512 ppm2 0.723 CV 1 OR { 1829} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HG2 )) ASSI { 1831} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 1.900 0.500 0.500 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.66809E-02 ppm1 7.510 ppm2 9.399 CV 1 ASSI { 1832} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 4.100 2.100 1.900 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.70819E-03 ppm1 7.511 ppm2 8.770 CV 1 ASSI { 1834} (( segid " " and resid 108 and name HN )) ( segid " " and resid 156 and name HD% ) 5.000 3.100 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.33900E-03 ppm1 7.511 ppm2 6.789 CV 1 ASSI { 1835} (( segid " " and resid 108 and name HN )) ( segid " " and resid 80 and name HE% ) 4.200 2.200 1.800 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.43536E-03 ppm1 7.513 ppm2 6.366 CV 1 ASSI { 1836} (( segid " " and resid 108 and name HN )) (( segid " " and resid 157 and name HA )) 3.500 1.500 1.500 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.15683E-02 ppm1 7.511 ppm2 4.915 CV 1 ASSI { 1837} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA2 )) 2.800 1.000 1.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.18614E-02 ppm1 7.511 ppm2 4.221 CV 1 ASSI { 1839} (( segid " " and resid 108 and name HN )) (( segid " " and resid 155 and name HB2 )) 4.000 2.000 2.000 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.33479E-03 ppm1 7.509 ppm2 2.817 CV 1 ASSI { 1840} (( segid " " and resid 108 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.000 1.100 1.100 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 7.511 ppm2 2.360 CV 1 ASSI { 1841} (( segid " " and resid 108 and name HN )) (( segid " " and resid 156 and name HB1 )) 3.200 1.300 1.300 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.13201E-02 ppm1 7.512 ppm2 1.859 CV 1 ASSI { 1844} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.500 0.800 0.800 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.43613E-02 ppm1 7.511 ppm2 1.079 CV 1 ASSI { 1845} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 2.600 0.800 0.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.31586E-02 ppm1 6.799 ppm2 9.583 CV 1 ASSI { 1847} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HN )) 4.700 2.700 1.300 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.20328E-03 ppm1 6.802 ppm2 7.826 CV 1 ASSI { 1852} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.000 1.200 1.200 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 6.798 ppm2 4.048 CV 1 ASSI { 1853} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HA )) 4.300 2.300 1.700 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.41098E-03 ppm1 6.801 ppm2 3.402 CV 1 ASSI { 1855} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HB1 )) 4.100 2.100 1.900 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.33952E-03 ppm1 6.802 ppm2 1.778 CV 1 ASSI { 1858} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HG2%) 2.600 2.600 3.400 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.42780E-02 ppm1 6.798 ppm2 1.028 CV 1 ASSI { 1859} (( segid " " and resid 99 and name HN )) ( segid " " and resid 95 and name HG1%) 3.400 1.500 1.500 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 6.801 ppm2 0.869 CV 1 ASSI { 1861} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HD22)) 4.000 2.000 2.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 8.390 ppm2 7.162 CV 1 ASSI { 1862} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 8.388 ppm2 3.853 CV 1 ASSI { 1863} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HB1 )) 4.600 2.600 1.400 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.32537E-03 ppm1 8.376 ppm2 0.920 CV 1 ASSI { 1865} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HN )) 4.200 2.200 1.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.39766E-03 ppm1 8.230 ppm2 8.579 CV 1 ASSI { 1874} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 5.000 3.100 1.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.23202E-03 ppm1 8.365 ppm2 7.798 CV 1 ASSI { 1876} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HN )) 4.400 2.400 1.600 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.44936E-03 ppm1 7.122 ppm2 7.913 CV 1 ASSI { 1877} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.900 1.900 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.61040E-03 ppm1 7.127 ppm2 2.653 CV 1 ASSI { 1879} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 3.100 1.200 1.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.58287E-03 ppm1 8.810 ppm2 1.522 CV 1 ASSI { 1882} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA1 )) 2.900 1.000 1.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 8.630 ppm2 3.758 CV 1 ASSI { 1883} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB2 )) 4.000 2.000 2.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.57451E-03 ppm1 8.631 ppm2 2.913 CV 1 ASSI { 1884} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB1 )) 3.700 1.700 1.700 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.67052E-03 ppm1 8.632 ppm2 2.831 CV 1 ASSI { 1885} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.300 1.400 1.400 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.85210E-03 ppm1 7.672 ppm2 4.750 CV 1 ASSI { 1886} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HE1 )) 4.300 2.300 1.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.52046E-03 ppm1 7.672 ppm2 3.021 CV 1 OR { 1886} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HE2 )) ASSI { 1887} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.100 1.200 1.200 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.60292E-03 ppm1 7.670 ppm2 2.460 CV 1 ASSI { 1888} (( segid " " and resid 151 and name HN )) ( segid " " and resid 150 and name HG2%) 4.800 2.900 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.46403E-03 ppm1 8.549 ppm2 0.999 CV 1 ASSI { 1890} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.200 1.300 1.300 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 8.550 ppm2 2.706 CV 1 OR { 1890} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB1 )) ASSI { 1891} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.42742E-03 ppm1 8.551 ppm2 4.034 CV 1 ASSI { 1893} (( segid " " and resid 107 and name HN )) (( segid " " and resid 156 and name HN )) 5.200 3.400 0.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.11228E-03 ppm1 9.392 ppm2 8.439 CV 1 ASSI { 1896} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG )) 3.400 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.19808E-02 ppm1 8.325 ppm2 1.501 CV 1 ASSI { 1897} (( segid " " and resid 82 and name HN )) ( segid " " and resid 35 and name HE% ) 4.200 2.200 1.800 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.51072E-03 ppm1 8.045 ppm2 6.852 CV 1 ASSI { 1900} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HA )) 5.000 3.100 1.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.41345E-03 ppm1 8.253 ppm2 4.986 CV 1 ASSI { 1908} (( segid " " and resid 156 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.600 2.700 1.400 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.58448E-03 ppm1 8.465 ppm2 1.086 CV 1 ASSI { 1910} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB1 )) 4.800 2.900 1.200 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.41090E-03 ppm1 8.463 ppm2 2.588 CV 1 ASSI { 1911} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB )) 4.500 2.500 1.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.61925E-03 ppm1 8.279 ppm2 1.553 CV 1 ASSI { 1913} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB1 )) 5.500 3.700 0.500 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.25921E-03 ppm1 8.323 ppm2 2.472 CV 1 ASSI { 1914} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.600 1.600 1.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.44888E-03 ppm1 8.659 ppm2 2.149 CV 1 ASSI { 1915} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HG1 )) 4.300 2.300 1.700 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.30148E-03 ppm1 8.652 ppm2 1.843 CV 1 ASSI { 1916} (( segid " " and resid 55 and name HN )) (( segid " " and resid 152 and name HB1 )) 3.000 1.100 1.100 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.69493E-03 ppm1 8.653 ppm2 1.644 CV 1 OR { 1916} (( segid " " and resid 55 and name HN )) (( segid " " and resid 152 and name HD2 )) ASSI { 1917} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 3.900 1.900 1.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 8.654 ppm2 1.502 CV 1 ASSI { 1919} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.700 0.900 0.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.27545E-02 ppm1 8.419 ppm2 2.820 CV 1 ASSI { 1920} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG12)) 4.500 4.500 1.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.33284E-03 ppm1 8.416 ppm2 1.637 CV 1 ASSI { 1923} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB )) 2.600 0.800 0.800 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.36870E-02 ppm1 7.145 ppm2 1.971 CV 1 ASSI { 1925} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) 4.000 2.000 2.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.65357E-03 ppm1 8.238 ppm2 1.747 CV 1 ASSI { 1928} (( segid " " and resid 136 and name HN )) (( segid " " and resid 101 and name HA )) 3.100 3.100 2.900 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.29738E-03 ppm1 8.612 ppm2 4.810 CV 1 ASSI { 1929} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.500 1.600 1.600 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.60991E-03 ppm1 8.612 ppm2 3.963 CV 1 ASSI { 1933} (( segid " " and resid 39 and name HN )) (( segid " " and resid 73 and name HG2 )) 4.300 2.300 1.700 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.95785E-04 ppm1 7.472 ppm2 3.730 CV 1 OR { 1933} (( segid " " and resid 39 and name HN )) (( segid " " and resid 73 and name HG1 )) ASSI { 1934} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 3.200 3.200 2.800 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.48193E-02 ppm1 7.226 ppm2 1.360 CV 1 ASSI { 1937} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 3.100 2.900 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.29111E-03 ppm1 8.041 ppm2 4.906 CV 1 ASSI { 1938} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB )) 4.100 2.100 1.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.36249E-03 ppm1 6.930 ppm2 4.365 CV 1 ASSI { 1939} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 2.900 2.900 3.100 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.43676E-03 ppm1 6.929 ppm2 4.774 CV 1 ASSI { 1940} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.000 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 8.043 ppm2 1.886 CV 1 OR { 1940} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) ASSI { 1941} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HD1 )) 3.600 1.600 1.600 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.12265E-02 ppm1 8.043 ppm2 1.621 CV 1 OR { 1941} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HD2 )) ASSI { 1942} (( segid " " and resid 92 and name HN )) (( segid " " and resid 90 and name HA )) 5.900 4.400 0.100 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.11892E-03 ppm1 8.013 ppm2 4.844 CV 1 ASSI { 1943} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.900 1.100 1.100 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.19235E-02 ppm1 8.010 ppm2 1.885 CV 1 OR { 1943} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB1 )) ASSI { 1949} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.900 2.900 3.100 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.39806E-03 ppm1 7.812 ppm2 3.838 CV 1 OR { 1949} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 1950} (( segid " " and resid 43 and name HN )) (( segid " " and resid 39 and name HA )) 4.700 2.700 1.300 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13871E-03 ppm1 7.006 ppm2 4.732 CV 1 ASSI { 1951} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 8.057 ppm2 8.785 CV 1 ASSI { 1953} (( segid " " and resid 34 and name HN )) (( segid " " and resid 76 and name HA )) 4.100 2.100 1.900 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.47156E-03 ppm1 7.664 ppm2 4.832 CV 1 ASSI { 1956} (( segid " " and resid 131 and name HN )) ( segid " " and resid 122 and name HE% ) 3.500 1.600 1.600 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.12721E-03 ppm1 9.637 ppm2 6.365 CV 1 ASSI { 2} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24360E-02 ppm1 7.332 ppm2 4.252 CV 1 ASSI { 3} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 7.330 ppm2 2.883 CV 1 ASSI { 4} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 29 and name HB1 )) 2.500 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.27634E-02 ppm1 7.330 ppm2 2.662 CV 1 ASSI { 5} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 32 and name HB2 )) 3.300 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 7.331 ppm2 2.198 CV 1 ASSI { 6} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 28 and name HB2 )) 2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17363E-02 ppm1 7.328 ppm2 1.899 CV 1 ASSI { 8} ( segid " " and resid 109 and name HD% ) ( segid " " and resid 109 and name HE% ) 2.500 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.39148E-02 ppm1 7.063 ppm2 6.866 CV 1 ASSI { 9} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 6.776 ppm2 2.314 CV 1 ASSI { 11} ( segid " " and resid 83 and name HD% ) ( segid " " and resid 83 and name HE% ) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.40351E-02 ppm1 6.773 ppm2 6.400 CV 1 ASSI { 12} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.17097E-02 ppm1 6.773 ppm2 2.135 CV 1 ASSI { 13} ( segid " " and resid 83 and name HD% ) ( segid " " and resid 62 and name HG2%) 3.200 1.300 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13971E-02 ppm1 6.778 ppm2 0.036 CV 1 ASSI { 18} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 155 and name HA )) 3.700 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14073E-02 ppm1 7.203 ppm2 4.532 CV 1 ASSI { 19} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 155 and name HB2 )) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27178E-02 ppm1 7.202 ppm2 2.825 CV 1 ASSI { 20} ( segid " " and resid 155 and name HD% ) (( segid " " and resid 155 and name HB1 )) 2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 7.202 ppm2 2.602 CV 1 ASSI { 25} (( segid " " and resid 62 and name HA )) (( segid " " and resid 85 and name HA )) 2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.44590E-02 ppm1 5.117 ppm2 5.665 CV 1 ASSI { 27} (( segid " " and resid 62 and name HA )) ( segid " " and resid 62 and name HG2%) 2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.29867E-02 ppm1 5.115 ppm2 0.015 CV 1 ASSI { 28} (( segid " " and resid 62 and name HA )) (( segid " " and resid 86 and name HN )) 2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 5.111 ppm2 9.146 CV 1 ASSI { 31} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.29168E-02 ppm1 6.181 ppm2 8.853 CV 1 ASSI { 32} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 35 and name HE% ) 2.300 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.69928E-02 ppm1 6.181 ppm2 6.831 CV 1 ASSI { 33} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.19508E-02 ppm1 6.180 ppm2 4.267 CV 1 ASSI { 34} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.18120E-02 ppm1 6.182 ppm2 3.987 CV 1 ASSI { 35} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.38850E-02 ppm1 6.184 ppm2 2.683 CV 1 ASSI { 36} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HB1 )) 2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.29924E-02 ppm1 6.178 ppm2 2.370 CV 1 ASSI { 38} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 29 and name HE% ) 3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14168E-02 ppm1 6.176 ppm2 6.700 CV 1 ASSI { 40} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 81 and name HA2 )) 3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19848E-02 ppm1 6.178 ppm2 4.504 CV 1 ASSI { 41} ( segid " " and resid 65 and name HD% ) (( segid " " and resid 65 and name HB2 )) 3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 7.080 ppm2 3.732 CV 1 ASSI { 46} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 122 and name HE% ) 2.200 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.93981E-02 ppm1 6.776 ppm2 6.358 CV 1 ASSI { 47} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26261E-02 ppm1 6.773 ppm2 4.543 CV 1 ASSI { 48} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 108 and name HA1 )) 3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.18973E-02 ppm1 6.773 ppm2 4.003 CV 1 ASSI { 49} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 122 and name HB2 )) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.38764E-02 ppm1 6.775 ppm2 2.810 CV 1 ASSI { 50} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 122 and name HB1 )) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.23750E-02 ppm1 6.774 ppm2 2.503 CV 1 ASSI { 53} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HN )) 2.000 0.500 0.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.71077E-02 ppm1 5.682 ppm2 9.194 CV 1 ASSI { 55} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HG2%) 2.500 2.500 3.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34668E-02 ppm1 5.683 ppm2 1.072 CV 1 ASSI { 56} (( segid " " and resid 85 and name HA )) ( segid " " and resid 62 and name HG2%) 3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13790E-02 ppm1 5.683 ppm2 0.007 CV 1 ASSI { 60} (( segid " " and resid 154 and name HA )) (( segid " " and resid 53 and name HA )) 2.900 2.900 3.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 5.220 ppm2 4.931 CV 1 ASSI { 62} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HG2%) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.46509E-02 ppm1 5.218 ppm2 1.215 CV 1 ASSI { 65} ( segid " " and resid 156 and name HE% ) ( segid " " and resid 156 and name HD% ) 3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.12543E-02 ppm1 7.655 ppm2 6.775 CV 1 ASSI { 67} ( segid " " and resid 156 and name HD% ) ( segid " " and resid 119 and name HG2%) 2.700 2.700 3.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.28950E-02 ppm1 6.805 ppm2 0.602 CV 1 ASSI { 70} ( segid " " and resid 80 and name HE% ) ( segid " " and resid 79 and name HB% ) 3.100 1.200 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 6.374 ppm2 1.668 CV 1 ASSI { 71} ( segid " " and resid 122 and name HE% ) ( segid " " and resid 119 and name HG2%) 3.100 3.100 2.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27058E-02 ppm1 6.376 ppm2 0.554 CV 1 ASSI { 72} ( segid " " and resid 122 and name HE% ) ( segid " " and resid 119 and name HD1%) 3.300 1.400 1.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13272E-02 ppm1 6.376 ppm2 -0.204 CV 1 ASSI { 74} (( segid " " and resid 156 and name HZ )) (( segid " " and resid 117 and name HA )) 3.000 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 7.150 ppm2 4.312 CV 1 ASSI { 75} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.17372E-02 ppm1 5.255 ppm2 8.145 CV 1 ASSI { 76} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB )) 2.400 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.43510E-02 ppm1 5.254 ppm2 1.752 CV 1 ASSI { 79} (( segid " " and resid 71 and name HA )) ( segid " " and resid 71 and name HG1%) 2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19760E-02 ppm1 5.252 ppm2 0.531 CV 1 ASSI { 85} (( segid " " and resid 153 and name HA )) ( segid " " and resid 154 and name HG2%) 3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 5.178 ppm2 1.243 CV 1 ASSI { 87} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB )) 2.800 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 5.181 ppm2 2.510 CV 1 ASSI { 89} (( segid " " and resid 122 and name HZ )) (( segid " " and resid 119 and name HG11)) 3.300 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 6.661 ppm2 1.141 CV 1 ASSI { 91} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.800 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.13164E-02 ppm1 5.507 ppm2 8.741 CV 1 ASSI { 92} (( segid " " and resid 109 and name HA )) ( segid " " and resid 109 and name HD% ) 3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 5.510 ppm2 7.047 CV 1 ASSI { 93} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 5.507 ppm2 3.073 CV 1 ASSI { 94} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 2.900 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 5.507 ppm2 2.777 CV 1 ASSI { 97} ( segid " " and resid 80 and name HD% ) ( segid " " and resid 80 and name HE% ) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.37601E-02 ppm1 6.131 ppm2 6.356 CV 1 ASSI { 100} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.32780E-02 ppm1 5.119 ppm2 1.840 CV 1 ASSI { 101} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 2.400 0.700 0.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.42433E-02 ppm1 5.116 ppm2 8.982 CV 1 ASSI { 102} (( segid " " and resid 82 and name HA )) (( segid " " and resid 73 and name HA )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.34745E-02 ppm1 5.117 ppm2 4.851 CV 1 ASSI { 103} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.36495E-02 ppm1 5.117 ppm2 2.636 CV 1 ASSI { 104} (( segid " " and resid 82 and name HA )) ( segid " " and resid 74 and name HB% ) 2.800 2.800 3.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.15746E-02 ppm1 5.117 ppm2 0.135 CV 1 ASSI { 108} (( segid " " and resid 69 and name HA )) (( segid " " and resid 86 and name HB1 )) 3.400 1.400 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.34009E-02 ppm1 5.254 ppm2 1.459 CV 1 ASSI { 112} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14105E-02 ppm1 5.498 ppm2 9.001 CV 1 ASSI { 113} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.000 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.99812E-02 ppm1 5.500 ppm2 8.390 CV 1 ASSI { 115} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 2.800 1.000 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26502E-02 ppm1 5.500 ppm2 2.660 CV 1 OR { 115} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB1 )) ASSI { 116} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.25464E-02 ppm1 5.498 ppm2 2.314 CV 1 ASSI { 117} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB1 )) 2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.35931E-02 ppm1 5.496 ppm2 2.158 CV 1 ASSI { 119} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HB1 )) 4.200 2.200 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 5.498 ppm2 1.544 CV 1 ASSI { 120} (( segid " " and resid 83 and name HA )) ( segid " " and resid 83 and name HD% ) 3.700 1.700 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 5.493 ppm2 6.730 CV 1 ASSI { 121} (( segid " " and resid 83 and name HA )) ( segid " " and resid 62 and name HG2%) 3.500 1.600 1.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 5.494 ppm2 0.009 CV 1 ASSI { 122} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.900 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 5.287 ppm2 8.349 CV 1 ASSI { 123} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 1.900 0.400 0.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.73082E-02 ppm1 5.329 ppm2 8.166 CV 1 ASSI { 124} (( segid " " and resid 60 and name HA )) (( segid " " and resid 87 and name HA )) 2.100 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.24130E-02 ppm1 5.329 ppm2 4.819 CV 1 ASSI { 125} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HG12)) 3.400 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.17564E-02 ppm1 5.326 ppm2 1.066 CV 1 ASSI { 133} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB2 )) 2.400 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24708E-02 ppm1 5.589 ppm2 1.795 CV 1 ASSI { 138} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 3.000 1.200 1.200 peak 138 spectrum 1 weight 0.10000E+01 volume 0.24877E-02 ppm1 5.364 ppm2 2.581 CV 1 ASSI { 139} (( segid " " and resid 70 and name HA )) ( segid " " and resid 71 and name HG1%) 3.900 1.900 1.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.12497E-02 ppm1 5.365 ppm2 0.580 CV 1 ASSI { 140} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.18695E-02 ppm1 5.364 ppm2 9.511 CV 1 ASSI { 146} (( segid " " and resid 126 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.900 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14542E-02 ppm1 5.198 ppm2 1.605 CV 1 ASSI { 148} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HN )) 2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.16530E-02 ppm1 5.194 ppm2 7.609 CV 1 ASSI { 149} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 29 and name HD% ) 2.900 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18427E-02 ppm1 6.845 ppm2 7.330 CV 1 ASSI { 151} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 34 and name HA )) 2.800 2.800 3.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.39102E-02 ppm1 6.843 ppm2 4.721 CV 1 ASSI { 152} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 81 and name HA2 )) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.21543E-02 ppm1 6.842 ppm2 4.491 CV 1 ASSI { 154} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 29 and name HB2 )) 2.700 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.19336E-02 ppm1 6.847 ppm2 2.876 CV 1 ASSI { 155} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 29 and name HB1 )) 3.400 1.500 1.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.25105E-02 ppm1 6.845 ppm2 2.652 CV 1 ASSI { 156} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 25 and name HD1%) 2.500 2.500 3.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.50723E-02 ppm1 6.841 ppm2 0.151 CV 1 ASSI { 157} (( segid " " and resid 110 and name HA2 )) (( segid " " and resid 111 and name HN )) 2.200 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.36816E-02 ppm1 5.120 ppm2 8.878 CV 1 ASSI { 159} (( segid " " and resid 110 and name HA2 )) (( segid " " and resid 110 and name HA1 )) 1.700 0.400 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.77843E-02 ppm1 5.122 ppm2 4.095 CV 1 ASSI { 160} (( segid " " and resid 110 and name HA2 )) (( segid " " and resid 131 and name HD1 )) 3.600 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.19477E-02 ppm1 5.121 ppm2 1.410 CV 1 OR { 160} (( segid " " and resid 110 and name HA2 )) (( segid " " and resid 131 and name HG2 )) OR { 160} (( segid " " and resid 110 and name HA2 )) (( segid " " and resid 131 and name HG1 )) ASSI { 162} (( segid " " and resid 110 and name HA2 )) ( segid " " and resid 113 and name HD1%) 3.000 3.000 3.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.25732E-02 ppm1 5.114 ppm2 0.629 CV 1 ASSI { 165} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 38 and name HG )) 2.500 2.500 3.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.46589E-02 ppm1 6.704 ppm2 0.922 CV 1 ASSI { 166} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 29 and name HD% ) 2.100 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.11035E-01 ppm1 6.704 ppm2 7.325 CV 1 ASSI { 168} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 29 and name HA )) 3.300 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.29311E-02 ppm1 6.704 ppm2 4.247 CV 1 ASSI { 170} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 38 and name HD1%) 2.500 2.500 3.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.64343E-02 ppm1 6.704 ppm2 0.782 CV 1 ASSI { 178} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 61 and name HB )) 2.200 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.31033E-02 ppm1 6.731 ppm2 1.498 CV 1 ASSI { 179} ( segid " " and resid 155 and name HE% ) ( segid " " and resid 155 and name HD% ) 2.000 0.500 0.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.97759E-02 ppm1 6.724 ppm2 7.201 CV 1 ASSI { 182} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 61 and name HG11)) 2.900 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.62005E-02 ppm1 6.728 ppm2 1.092 CV 1 OR { 182} ( segid " " and resid 155 and name HE% ) (( segid " " and resid 61 and name HG12)) ASSI { 184} ( segid " " and resid 155 and name HE% ) ( segid " " and resid 61 and name HD1%) 2.800 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.60370E-02 ppm1 6.726 ppm2 0.529 CV 1 ASSI { 185} ( segid " " and resid 53 and name HE% ) ( segid " " and resid 53 and name HD% ) 1.900 0.500 0.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.14697E-01 ppm1 6.557 ppm2 6.826 CV 1 ASSI { 186} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 52 and name HD22)) 3.500 1.500 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12988E-02 ppm1 6.554 ppm2 5.982 CV 1 ASSI { 190} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 50 and name HB2 )) 2.900 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 6.555 ppm2 2.377 CV 1 ASSI { 191} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 50 and name HG2 )) 2.600 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.29818E-02 ppm1 6.557 ppm2 2.092 CV 1 OR { 191} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 50 and name HG1 )) ASSI { 198} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HN )) 2.400 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.30403E-02 ppm1 3.020 ppm2 8.786 CV 1 ASSI { 199} (( segid " " and resid 62 and name HB )) ( segid " " and resid 83 and name HD% ) 3.400 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17782E-02 ppm1 3.020 ppm2 6.809 CV 1 ASSI { 201} (( segid " " and resid 62 and name HB )) ( segid " " and resid 62 and name HG2%) 2.300 0.600 0.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.52037E-02 ppm1 3.022 ppm2 0.012 CV 1 ASSI { 202} (( segid " " and resid 18 and name HA )) (( segid " " and resid 21 and name HN )) 3.200 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13505E-02 ppm1 3.388 ppm2 8.661 CV 1 ASSI { 203} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.600 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.31356E-02 ppm1 3.384 ppm2 8.217 CV 1 ASSI { 213} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HB1 )) 3.800 1.900 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 3.504 ppm2 1.321 CV 1 ASSI { 214} (( segid " " and resid 25 and name HA )) ( segid " " and resid 29 and name HD% ) 3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 3.499 ppm2 7.323 CV 1 ASSI { 216} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HG2%) 3.000 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.38254E-02 ppm1 3.501 ppm2 0.602 CV 1 ASSI { 217} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.28947E-02 ppm1 3.485 ppm2 8.411 CV 1 ASSI { 218} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG12)) 2.400 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.58711E-02 ppm1 3.488 ppm2 1.924 CV 1 OR { 218} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) OR { 218} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG11)) ASSI { 219} (( segid " " and resid 25 and name HA )) ( segid " " and resid 28 and name HD2%) 2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.53647E-02 ppm1 3.488 ppm2 0.827 CV 1 OR { 219} (( segid " " and resid 25 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 223} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG2%) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.74752E-02 ppm1 3.488 ppm2 0.974 CV 1 OR { 223} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HD1%) ASSI { 226} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 123 and name HA2 )) 3.900 1.900 1.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27005E-02 ppm1 3.543 ppm2 4.729 CV 1 ASSI { 229} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HN )) 2.300 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.64623E-02 ppm1 3.378 ppm2 8.634 CV 1 ASSI { 230} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.27674E-02 ppm1 3.375 ppm2 7.804 CV 1 ASSI { 232} (( segid " " and resid 134 and name HA )) (( segid " " and resid 101 and name HD22)) 3.200 3.200 2.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 3.378 ppm2 6.864 CV 1 ASSI { 235} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HB% ) 2.300 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.82297E-02 ppm1 3.375 ppm2 1.068 CV 1 ASSI { 239} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 86 and name HB2 )) 3.400 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13923E-02 ppm1 3.037 ppm2 1.839 CV 1 OR { 239} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 86 and name HB2 )) ASSI { 242} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HB1 )) 1.500 0.300 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.86103E-02 ppm1 1.820 ppm2 1.450 CV 1 ASSI { 247} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HN )) 2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 1.454 ppm2 9.169 CV 1 ASSI { 248} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HA )) 2.900 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.21147E-02 ppm1 1.451 ppm2 5.580 CV 1 ASSI { 250} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 69 and name HB1 )) 3.400 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.36776E-02 ppm1 1.451 ppm2 1.003 CV 1 ASSI { 251} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 61 and name HD1%) 3.800 3.800 2.200 peak 251 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 1.449 ppm2 0.541 CV 1 ASSI { 256} (( segid " " and resid 109 and name HB2 )) ( segid " " and resid 109 and name HD% ) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 3.078 ppm2 7.056 CV 1 ASSI { 257} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HB1 )) 1.900 0.400 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.62108E-02 ppm1 3.078 ppm2 2.785 CV 1 ASSI { 260} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 109 and name HD% ) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.19651E-02 ppm1 2.795 ppm2 7.061 CV 1 ASSI { 262} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 157 and name HB2 )) 4.100 2.100 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12576E-02 ppm1 2.795 ppm2 1.728 CV 1 ASSI { 263} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 3.200 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 1.761 ppm2 5.266 CV 1 ASSI { 264} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB1 )) 1.700 0.400 0.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.81549E-02 ppm1 1.760 ppm2 1.511 CV 1 ASSI { 265} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 84 and name HD1%) 2.700 0.900 0.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.38532E-02 ppm1 1.758 ppm2 0.903 CV 1 OR { 265} (( segid " " and resid 84 and name HB2 )) ( segid " " and resid 84 and name HD2%) ASSI { 266} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.600 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.19979E-02 ppm1 1.537 ppm2 5.271 CV 1 ASSI { 269} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 84 and name HD2%) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.39783E-02 ppm1 1.533 ppm2 0.917 CV 1 OR { 269} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 84 and name HD1%) ASSI { 273} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.27846E-02 ppm1 1.917 ppm2 4.192 CV 1 ASSI { 274} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.15834E-02 ppm1 1.915 ppm2 3.487 CV 1 ASSI { 275} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.19688E-02 ppm1 1.923 ppm2 1.635 CV 1 ASSI { 276} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 1.600 0.300 0.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13627E-01 ppm1 1.913 ppm2 1.341 CV 1 ASSI { 280} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 64 and name HB2 )) 3.600 3.600 2.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.14791E-02 ppm1 1.638 ppm2 2.485 CV 1 ASSI { 281} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HB1 )) 3.500 1.500 1.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.36681E-02 ppm1 1.639 ppm2 1.461 CV 1 ASSI { 282} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 86 and name HD2%) 3.100 3.100 2.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.79048E-02 ppm1 1.637 ppm2 0.980 CV 1 ASSI { 283} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD1%) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31093E-02 ppm1 1.637 ppm2 0.661 CV 1 OR { 283} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD2%) ASSI { 285} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HG )) 3.300 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12799E-02 ppm1 1.331 ppm2 1.657 CV 1 ASSI { 286} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 3.200 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 1.330 ppm2 7.951 CV 1 ASSI { 287} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 29 and name HD% ) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 1.333 ppm2 7.335 CV 1 ASSI { 290} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD2%) 2.300 2.300 3.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.66505E-02 ppm1 1.329 ppm2 0.777 CV 1 ASSI { 291} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) 2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.22165E-02 ppm1 0.998 ppm2 5.247 CV 1 ASSI { 293} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 1.700 0.400 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.78152E-02 ppm1 0.994 ppm2 1.628 CV 1 ASSI { 294} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HG )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.32199E-02 ppm1 0.998 ppm2 1.459 CV 1 ASSI { 295} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 69 and name HD1%) 3.000 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.35707E-02 ppm1 0.996 ppm2 0.678 CV 1 ASSI { 296} (( segid " " and resid 88 and name HD1 )) (( segid " " and resid 88 and name HB1 )) 2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.49310E-02 ppm1 3.202 ppm2 1.752 CV 1 OR { 296} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB1 )) ASSI { 297} (( segid " " and resid 88 and name HD1 )) (( segid " " and resid 88 and name HB2 )) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 3.199 ppm2 2.069 CV 1 OR { 297} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB2 )) ASSI { 298} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 155 and name HE% ) 3.000 3.000 3.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.22771E-02 ppm1 2.172 ppm2 6.730 CV 1 OR { 298} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 155 and name HE% ) ASSI { 299} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 96 and name HA )) 3.000 3.000 3.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 2.173 ppm2 4.088 CV 1 OR { 299} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 96 and name HA )) ASSI { 300} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HG )) 2.100 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13807E-01 ppm1 2.171 ppm2 1.502 CV 1 ASSI { 301} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD1%) 2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.26945E-02 ppm1 2.171 ppm2 0.951 CV 1 OR { 301} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 100 and name HD1%) ASSI { 303} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 134 and name HN )) 3.000 3.000 3.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 2.171 ppm2 7.840 CV 1 OR { 303} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 134 and name HN )) ASSI { 307} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 29 and name HE% ) 4.100 2.100 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.13775E-02 ppm1 1.515 ppm2 6.728 CV 1 OR { 307} (( segid " " and resid 38 and name HB1 )) ( segid " " and resid 29 and name HE% ) ASSI { 309} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 2.400 2.400 3.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.77694E-02 ppm1 1.518 ppm2 2.149 CV 1 OR { 309} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 73 and name HB2 )) OR { 309} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 73 and name HB1 )) ASSI { 322} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 59 and name HG2 )) 3.000 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 3.009 ppm2 1.312 CV 1 OR { 322} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 59 and name HG2 )) OR { 322} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 59 and name HG1 )) OR { 322} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 59 and name HG1 )) ASSI { 329} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 123 and name HA2 )) 2.700 2.700 3.300 peak 329 spectrum 1 weight 0.10000E+01 volume 0.37148E-02 ppm1 2.827 ppm2 4.729 CV 1 ASSI { 330} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 158 and name HB2 )) 2.700 2.700 3.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.50304E-02 ppm1 2.826 ppm2 1.703 CV 1 OR { 330} (( segid " " and resid 107 and name HE1 )) (( segid " " and resid 158 and name HB2 )) ASSI { 331} (( segid " " and resid 107 and name HE1 )) (( segid " " and resid 107 and name HD2 )) 2.300 0.600 0.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.58285E-02 ppm1 2.823 ppm2 1.556 CV 1 OR { 331} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 107 and name HD1 )) OR { 331} (( segid " " and resid 107 and name HE1 )) (( segid " " and resid 107 and name HD1 )) OR { 331} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 107 and name HD2 )) ASSI { 345} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 151 and name HB1 )) 3.800 1.800 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 1.215 ppm2 2.706 CV 1 OR { 345} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 151 and name HB2 )) ASSI { 346} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HB1 )) 1.900 0.400 0.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.38698E-02 ppm1 1.209 ppm2 0.983 CV 1 ASSI { 347} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 89 and name HD1%) 3.000 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.25033E-02 ppm1 1.210 ppm2 0.545 CV 1 ASSI { 349} (( segid " " and resid 89 and name HB1 )) ( segid " " and resid 89 and name HD1%) 2.600 2.600 3.400 peak 349 spectrum 1 weight 0.10000E+01 volume 0.34934E-02 ppm1 0.996 ppm2 0.557 CV 1 ASSI { 350} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 0.989 ppm2 4.170 CV 1 ASSI { 352} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.500 0.800 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.33794E-02 ppm1 3.296 ppm2 4.689 CV 1 ASSI { 361} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.16725E-02 ppm1 3.035 ppm2 9.513 CV 1 ASSI { 362} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HD22)) 3.800 1.800 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.19795E-02 ppm1 3.034 ppm2 7.121 CV 1 ASSI { 363} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 1.700 0.400 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11733E-01 ppm1 3.032 ppm2 2.581 CV 1 ASSI { 364} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.19323E-02 ppm1 3.031 ppm2 8.162 CV 1 ASSI { 366} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.61991E-02 ppm1 3.023 ppm2 4.727 CV 1 ASSI { 368} (( segid " " and resid 59 and name HE2 )) (( segid " " and resid 59 and name HB1 )) 2.500 2.500 3.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.13309E-01 ppm1 3.021 ppm2 1.605 CV 1 OR { 368} (( segid " " and resid 59 and name HE1 )) (( segid " " and resid 59 and name HB1 )) ASSI { 369} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG2 )) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.34473E-02 ppm1 3.022 ppm2 1.166 CV 1 OR { 369} (( segid " " and resid 10 and name HE2 )) (( segid " " and resid 10 and name HG1 )) OR { 369} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HG1 )) OR { 369} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HG2 )) ASSI { 374} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HB2 )) 1.800 0.400 0.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.98048E-02 ppm1 2.993 ppm2 3.265 CV 1 ASSI { 376} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 91 and name HG2 )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.53249E-02 ppm1 2.943 ppm2 1.263 CV 1 OR { 376} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 91 and name HG2 )) ASSI { 378} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 94 and name HB1 )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 2.924 ppm2 2.484 CV 1 OR { 378} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 94 and name HB1 )) ASSI { 380} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 91 and name HD1 )) 2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.91801E-02 ppm1 2.891 ppm2 1.654 CV 1 OR { 380} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 91 and name HD2 )) OR { 380} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 91 and name HD1 )) OR { 380} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 91 and name HD2 )) ASSI { 381} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 91 and name HG1 )) 2.600 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.46982E-02 ppm1 2.894 ppm2 1.410 CV 1 OR { 381} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 91 and name HG1 )) ASSI { 383} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 4 and name HB2 )) 2.800 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.40316E-02 ppm1 2.888 ppm2 4.729 CV 1 OR { 383} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 4 and name HB1 )) ASSI { 384} (( segid " " and resid 91 and name HE1 )) (( segid " " and resid 91 and name HA )) 3.600 1.600 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12689E-02 ppm1 2.870 ppm2 3.606 CV 1 OR { 384} (( segid " " and resid 91 and name HE2 )) (( segid " " and resid 91 and name HA )) ASSI { 388} (( segid " " and resid 107 and name HE1 )) (( segid " " and resid 156 and name HB2 )) 4.100 2.100 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 2.789 ppm2 2.337 CV 1 OR { 388} (( segid " " and resid 107 and name HE2 )) (( segid " " and resid 156 and name HB2 )) ASSI { 391} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HN )) 2.600 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.21222E-02 ppm1 2.589 ppm2 9.513 CV 1 ASSI { 393} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HD22)) 3.700 1.700 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.20542E-02 ppm1 2.589 ppm2 7.121 CV 1 ASSI { 395} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 85 and name HB )) 2.500 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.29512E-02 ppm1 2.588 ppm2 3.997 CV 1 ASSI { 397} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 85 and name HG2%) 3.400 1.500 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 2.589 ppm2 1.068 CV 1 ASSI { 398} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.21939E-02 ppm1 2.006 ppm2 4.238 CV 1 ASSI { 400} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG )) 2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.38678E-02 ppm1 2.005 ppm2 1.582 CV 1 ASSI { 401} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 1.600 0.300 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.10802E-01 ppm1 2.003 ppm2 1.420 CV 1 ASSI { 402} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD2%) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.53089E-02 ppm1 2.001 ppm2 0.828 CV 1 ASSI { 403} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD2%) 2.500 0.800 0.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.58425E-02 ppm1 1.911 ppm2 0.796 CV 1 OR { 403} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD1%) ASSI { 404} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 48 and name HN )) 3.500 3.500 2.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.28965E-02 ppm1 1.909 ppm2 8.032 CV 1 ASSI { 405} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.100 3.100 2.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.26753E-02 ppm1 1.905 ppm2 3.823 CV 1 ASSI { 406} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HB1 )) 1.700 0.400 0.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11508E-01 ppm1 1.907 ppm2 1.526 CV 1 ASSI { 409} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HN )) 3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 1.676 ppm2 8.780 CV 1 OR { 409} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 102 and name HN )) ASSI { 411} (( segid " " and resid 102 and name HB1 )) ( segid " " and resid 106 and name HB% ) 2.700 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25167E-02 ppm1 1.674 ppm2 1.117 CV 1 OR { 411} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 106 and name HB% ) ASSI { 412} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 155 and name HB2 )) 2.900 2.900 3.100 peak 412 spectrum 1 weight 0.10000E+01 volume 0.43281E-02 ppm1 1.669 ppm2 2.887 CV 1 OR { 412} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 155 and name HB2 )) ASSI { 413} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 102 and name HD2%) 3.000 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.22373E-02 ppm1 1.647 ppm2 0.661 CV 1 OR { 413} (( segid " " and resid 102 and name HB1 )) ( segid " " and resid 102 and name HD2%) ASSI { 414} (( segid " " and resid 102 and name HB1 )) ( segid " " and resid 102 and name HD1%) 2.800 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.29581E-02 ppm1 1.658 ppm2 0.558 CV 1 OR { 414} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 102 and name HD1%) ASSI { 419} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 48 and name HN )) 3.800 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 1.533 ppm2 8.004 CV 1 ASSI { 420} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 41 and name HA )) 3.300 3.300 2.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.26724E-02 ppm1 1.533 ppm2 3.820 CV 1 ASSI { 425} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HN )) 2.900 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.17284E-02 ppm1 1.426 ppm2 6.990 CV 1 ASSI { 428} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38727E-02 ppm1 1.426 ppm2 1.594 CV 1 ASSI { 429} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HD2%) 2.300 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.58918E-02 ppm1 1.428 ppm2 0.819 CV 1 ASSI { 433} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HB1 )) 1.900 0.400 0.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.56898E-02 ppm1 2.823 ppm2 2.484 CV 1 ASSI { 437} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HA )) 2.500 0.800 0.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.22385E-02 ppm1 2.516 ppm2 4.565 CV 1 ASSI { 439} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 132 and name HA )) 2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 2.516 ppm2 4.677 CV 1 ASSI { 443} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HA )) 3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 2.642 ppm2 4.793 CV 1 ASSI { 446} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) 2.000 0.500 0.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.44243E-02 ppm1 2.633 ppm2 1.844 CV 1 ASSI { 450} (( segid " " and resid 131 and name HE1 )) ( segid " " and resid 111 and name HG2%) 3.200 3.200 2.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.20442E-02 ppm1 2.065 ppm2 0.971 CV 1 OR { 450} (( segid " " and resid 131 and name HE2 )) ( segid " " and resid 111 and name HG2%) ASSI { 453} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 25 and name HD1%) 3.000 3.000 3.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.20639E-02 ppm1 1.842 ppm2 0.165 CV 1 ASSI { 455} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 60 and name HN )) 3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20456E-02 ppm1 3.022 ppm2 8.232 CV 1 ASSI { 459} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 59 and name HD1 )) 3.000 1.100 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19564E-02 ppm1 3.025 ppm2 1.224 CV 1 OR { 459} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 59 and name HD2 )) ASSI { 461} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB1 )) 1.800 0.400 0.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.10767E-01 ppm1 2.905 ppm2 2.679 CV 1 ASSI { 462} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) 2.900 1.100 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.24359E-02 ppm1 2.899 ppm2 4.729 CV 1 ASSI { 473} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.600 0.300 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.10784E-01 ppm1 2.488 ppm2 3.018 CV 1 ASSI { 474} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 59 and name HD1 )) 3.000 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.23269E-02 ppm1 2.490 ppm2 1.246 CV 1 OR { 474} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 59 and name HD2 )) ASSI { 477} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HB1 )) 2.000 0.500 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.37690E-02 ppm1 2.326 ppm2 2.149 CV 1 ASSI { 484} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HD21)) 3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15753E-02 ppm1 3.025 ppm2 7.441 CV 1 ASSI { 485} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) 2.600 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.48861E-02 ppm1 3.020 ppm2 4.980 CV 1 ASSI { 486} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 48 and name HN )) 3.600 3.600 2.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.29323E-02 ppm1 3.022 ppm2 8.039 CV 1 ASSI { 487} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HB1 )) 1.600 0.300 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.22649E-01 ppm1 3.025 ppm2 2.632 CV 1 ASSI { 489} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HB2 )) 1.900 0.500 0.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.72257E-02 ppm1 2.869 ppm2 3.069 CV 1 ASSI { 490} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HB1 )) 1.800 0.400 0.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.93983E-02 ppm1 2.867 ppm2 2.435 CV 1 ASSI { 496} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HD21)) 2.800 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.22572E-02 ppm1 2.629 ppm2 7.463 CV 1 ASSI { 498} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HA )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.30025E-02 ppm1 2.630 ppm2 4.973 CV 1 ASSI { 510} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20983E-02 ppm1 1.780 ppm2 4.339 CV 1 OR { 510} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HA )) ASSI { 512} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HD21)) 3.000 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 3.062 ppm2 7.560 CV 1 ASSI { 514} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.51419E-02 ppm1 3.060 ppm2 4.921 CV 1 ASSI { 515} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HB1 )) 1.500 0.300 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21797E-01 ppm1 3.063 ppm2 2.731 CV 1 ASSI { 520} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 2.859 ppm2 4.827 CV 1 ASSI { 522} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HA )) 2.600 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 2.802 ppm2 5.022 CV 1 ASSI { 529} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HB1 )) 1.800 0.400 0.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.45105E-02 ppm1 2.360 ppm2 1.862 CV 1 ASSI { 531} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HA )) 2.900 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.14506E-02 ppm1 1.876 ppm2 4.181 CV 1 ASSI { 533} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HB1 )) 1.800 0.400 0.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10707E-01 ppm1 3.131 ppm2 2.533 CV 1 ASSI { 534} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.48454E-02 ppm1 3.127 ppm2 8.292 CV 1 ASSI { 535} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HD21)) 2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 3.125 ppm2 7.769 CV 1 ASSI { 536} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HD22)) 3.800 1.800 1.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 3.127 ppm2 6.907 CV 1 ASSI { 537} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.53856E-02 ppm1 3.126 ppm2 4.797 CV 1 ASSI { 540} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HB1 )) 1.500 0.300 0.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.33531E-01 ppm1 3.118 ppm2 2.923 CV 1 ASSI { 542} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.500 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.50680E-02 ppm1 2.912 ppm2 4.698 CV 1 OR { 542} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) ASSI { 543} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 12 and name HN )) 3.500 3.500 2.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 2.903 ppm2 8.136 CV 1 OR { 543} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HN )) ASSI { 544} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.400 0.700 0.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.30222E-02 ppm1 2.903 ppm2 7.656 CV 1 ASSI { 545} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.26297E-02 ppm1 2.894 ppm2 4.245 CV 1 ASSI { 550} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 142 and name HG2%) 3.400 3.400 2.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.21236E-02 ppm1 2.850 ppm2 1.166 CV 1 ASSI { 553} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 75 and name HD21)) 2.800 1.000 1.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.21424E-02 ppm1 2.810 ppm2 7.560 CV 1 ASSI { 555} (( segid " " and resid 65 and name HB1 )) ( segid " " and resid 65 and name HD% ) 2.700 0.900 0.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.30268E-02 ppm1 2.795 ppm2 7.084 CV 1 ASSI { 571} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HD21)) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.21084E-02 ppm1 2.533 ppm2 7.755 CV 1 ASSI { 572} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HD22)) 3.900 1.900 1.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 2.533 ppm2 6.877 CV 1 ASSI { 573} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HA )) 3.100 1.200 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 2.530 ppm2 4.833 CV 1 ASSI { 577} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HN )) 3.500 1.500 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.16179E-02 ppm1 2.462 ppm2 8.048 CV 1 ASSI { 578} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HD21)) 3.400 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 2.461 ppm2 7.023 CV 1 OR { 578} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HD22)) ASSI { 579} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.22815E-02 ppm1 2.461 ppm2 4.729 CV 1 ASSI { 580} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 151 and name HB1 )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.84476E-02 ppm1 2.463 ppm2 2.679 CV 1 OR { 580} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 151 and name HB2 )) ASSI { 583} (( segid " " and resid 15 and name HB )) (( segid " " and resid 18 and name HN )) 3.400 3.400 2.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.24818E-02 ppm1 1.977 ppm2 8.207 CV 1 ASSI { 584} (( segid " " and resid 113 and name HB )) (( segid " " and resid 111 and name HA )) 3.400 1.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 1.533 ppm2 4.729 CV 1 ASSI { 586} (( segid " " and resid 113 and name HB )) (( segid " " and resid 113 and name HG11)) 2.700 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.22359E-02 ppm1 1.524 ppm2 1.293 CV 1 OR { 586} (( segid " " and resid 113 and name HB )) (( segid " " and resid 113 and name HG12)) ASSI { 589} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.25819E-02 ppm1 3.115 ppm2 4.602 CV 1 ASSI { 591} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.40528E-02 ppm1 2.928 ppm2 8.592 CV 1 ASSI { 596} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 2.435 ppm2 4.940 CV 1 ASSI { 597} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 85 and name HG2%) 3.300 3.300 2.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.33035E-02 ppm1 2.436 ppm2 1.081 CV 1 ASSI { 599} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 53 and name HD% ) 3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 2.435 ppm2 6.827 CV 1 ASSI { 600} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HB2 )) 1.800 0.400 0.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.67602E-02 ppm1 2.438 ppm2 3.831 CV 1 ASSI { 603} (( segid " " and resid 49 and name HB )) (( segid " " and resid 49 and name HG11)) 2.300 0.700 0.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.75709E-02 ppm1 1.996 ppm2 1.400 CV 1 OR { 603} (( segid " " and resid 49 and name HB )) (( segid " " and resid 49 and name HG12)) ASSI { 606} (( segid " " and resid 15 and name HB )) (( segid " " and resid 11 and name HA )) 2.600 2.600 3.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.73099E-02 ppm1 1.980 ppm2 4.058 CV 1 ASSI { 608} (( segid " " and resid 25 and name HB )) (( segid " " and resid 22 and name HA )) 3.200 3.200 2.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.19247E-02 ppm1 1.765 ppm2 4.320 CV 1 ASSI { 610} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HN )) 2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.41591E-02 ppm1 1.757 ppm2 8.348 CV 1 ASSI { 612} (( segid " " and resid 25 and name HB )) ( segid " " and resid 25 and name HD1%) 2.600 2.600 3.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.47807E-02 ppm1 1.757 ppm2 0.152 CV 1 ASSI { 614} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HB1 )) 1.800 0.400 0.400 peak 614 spectrum 1 weight 0.10000E+01 volume 0.42152E-02 ppm1 3.549 ppm2 2.751 CV 1 ASSI { 615} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 156 and name HZ )) 3.500 1.600 1.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.13167E-02 ppm1 3.545 ppm2 7.181 CV 1 ASSI { 616} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 4.400 2.500 1.600 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 3.541 ppm2 0.992 CV 1 ASSI { 619} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HA )) 2.300 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.32634E-02 ppm1 2.770 ppm2 4.556 CV 1 ASSI { 620} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 81 and name HN )) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 3.553 ppm2 8.775 CV 1 ASSI { 624} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HA )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 2.321 ppm2 4.930 CV 1 OR { 624} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HA )) ASSI { 632} (( segid " " and resid 135 and name HB )) ( segid " " and resid 135 and name HD1%) 2.500 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.72910E-02 ppm1 1.680 ppm2 0.829 CV 1 ASSI { 633} (( segid " " and resid 135 and name HB )) ( segid " " and resid 135 and name HG2%) 3.100 1.200 1.200 peak 633 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 1.678 ppm2 0.625 CV 1 ASSI { 639} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 139 and name HB1 )) 2.800 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.23506E-02 ppm1 2.246 ppm2 1.849 CV 1 OR { 639} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HB1 )) ASSI { 640} (( segid " " and resid 42 and name HB )) (( segid " " and resid 39 and name HA )) 2.300 2.300 3.700 peak 640 spectrum 1 weight 0.10000E+01 volume 0.45326E-02 ppm1 2.235 ppm2 4.719 CV 1 ASSI { 643} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HG12)) 2.200 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.62381E-02 ppm1 2.216 ppm2 1.686 CV 1 OR { 643} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HG11)) ASSI { 644} (( segid " " and resid 42 and name HB )) ( segid " " and resid 42 and name HD1%) 3.000 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.67058E-02 ppm1 2.218 ppm2 0.935 CV 1 ASSI { 645} (( segid " " and resid 42 and name HB )) ( segid " " and resid 42 and name HG2%) 2.500 0.800 0.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.36953E-02 ppm1 2.217 ppm2 0.781 CV 1 ASSI { 647} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HA )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.30996E-02 ppm1 1.825 ppm2 4.778 CV 1 ASSI { 649} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HG1 )) 2.300 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.39314E-02 ppm1 1.825 ppm2 1.253 CV 1 OR { 649} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HG2 )) ASSI { 653} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HN )) 3.600 1.600 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.15191E-02 ppm1 1.695 ppm2 8.184 CV 1 OR { 653} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 61 and name HN )) ASSI { 654} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 152 and name HA )) 2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.30365E-02 ppm1 1.691 ppm2 4.787 CV 1 ASSI { 658} (( segid " " and resid 152 and name HB1 )) (( segid " " and resid 60 and name HA )) 3.500 1.600 1.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.16671E-02 ppm1 1.631 ppm2 5.315 CV 1 ASSI { 664} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HD22)) 3.700 1.700 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13469E-02 ppm1 3.501 ppm2 7.084 CV 1 ASSI { 665} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 91 and name HA )) 2.400 2.400 3.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.66199E-02 ppm1 3.457 ppm2 3.603 CV 1 ASSI { 667} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HB1 )) 2.100 0.500 0.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.37375E-02 ppm1 3.455 ppm2 2.467 CV 1 ASSI { 669} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 95 and name HN )) 2.600 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.18062E-02 ppm1 2.493 ppm2 8.557 CV 1 ASSI { 670} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 1.900 0.400 0.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.83480E-02 ppm1 3.051 ppm2 2.861 CV 1 ASSI { 671} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HD21)) 2.800 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 3.042 ppm2 7.598 CV 1 ASSI { 672} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HA )) 2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.39067E-02 ppm1 3.042 ppm2 4.273 CV 1 ASSI { 673} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HD22)) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.13551E-02 ppm1 3.032 ppm2 7.084 CV 1 ASSI { 674} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HB2 )) 1.900 0.500 0.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.62633E-02 ppm1 3.036 ppm2 3.507 CV 1 ASSI { 679} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HD21)) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 2.870 ppm2 7.609 CV 1 ASSI { 680} (( segid " " and resid 117 and name HB1 )) ( segid " " and resid 83 and name HE% ) 3.700 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13606E-02 ppm1 2.871 ppm2 6.389 CV 1 ASSI { 682} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 1.900 0.400 0.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.48291E-02 ppm1 2.699 ppm2 2.416 CV 1 ASSI { 688} (( segid " " and resid 153 and name HB )) (( segid " " and resid 153 and name HN )) 2.600 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.36097E-02 ppm1 2.504 ppm2 8.886 CV 1 ASSI { 691} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.28192E-02 ppm1 2.504 ppm2 8.383 CV 1 ASSI { 693} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) 3.300 1.400 1.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 2.494 ppm2 3.824 CV 1 ASSI { 695} (( segid " " and resid 153 and name HB )) (( segid " " and resid 111 and name HA )) 2.900 1.100 1.100 peak 695 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 2.494 ppm2 4.750 CV 1 ASSI { 701} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 97 and name HB1 )) 2.200 2.200 3.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.16487E-02 ppm1 2.280 ppm2 1.752 CV 1 OR { 701} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 97 and name HB2 )) OR { 701} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 97 and name HB1 )) OR { 701} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 97 and name HB2 )) ASSI { 703} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 142 and name HN )) 3.600 1.600 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 2.276 ppm2 7.163 CV 1 OR { 703} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 142 and name HN )) ASSI { 707} (( segid " " and resid 71 and name HB )) ( segid " " and resid 38 and name HD2%) 2.100 2.100 3.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 1.754 ppm2 0.163 CV 1 ASSI { 711} (( segid " " and resid 71 and name HB )) ( segid " " and resid 71 and name HG1%) 2.400 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.55217E-02 ppm1 1.754 ppm2 0.561 CV 1 ASSI { 716} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HN )) 3.400 1.500 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 2.113 ppm2 9.610 CV 1 ASSI { 717} (( segid " " and resid 119 and name HB )) ( segid " " and resid 119 and name HG2%) 2.700 0.900 0.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.25065E-02 ppm1 1.951 ppm2 0.575 CV 1 ASSI { 719} (( segid " " and resid 119 and name HB )) ( segid " " and resid 156 and name HD% ) 3.300 1.400 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 1.945 ppm2 6.788 CV 1 ASSI { 720} (( segid " " and resid 119 and name HB )) (( segid " " and resid 119 and name HG12)) 2.800 1.000 1.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.22120E-02 ppm1 1.947 ppm2 1.571 CV 1 ASSI { 721} (( segid " " and resid 119 and name HB )) (( segid " " and resid 119 and name HG11)) 2.700 0.900 0.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.27395E-02 ppm1 1.949 ppm2 1.128 CV 1 ASSI { 724} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HB2 )) 1.900 0.400 0.400 peak 724 spectrum 1 weight 0.10000E+01 volume 0.44387E-02 ppm1 1.590 ppm2 2.093 CV 1 OR { 724} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HE1 )) ASSI { 725} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HN )) 2.800 2.800 3.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.25658E-02 ppm1 1.531 ppm2 8.171 CV 1 ASSI { 726} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.13699E-02 ppm1 1.532 ppm2 4.571 CV 1 ASSI { 733} (( segid " " and resid 116 and name HG2 )) ( segid " " and resid 62 and name HG2%) 3.200 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 1.480 ppm2 -0.006 CV 1 ASSI { 734} (( segid " " and resid 116 and name HG1 )) (( segid " " and resid 116 and name HG2 )) 2.100 0.500 0.500 peak 734 spectrum 1 weight 0.10000E+01 volume 0.39534E-02 ppm1 1.373 ppm2 1.459 CV 1 ASSI { 735} (( segid " " and resid 116 and name HG1 )) ( segid " " and resid 62 and name HG2%) 3.300 3.300 2.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14448E-02 ppm1 1.376 ppm2 -0.006 CV 1 ASSI { 736} (( segid " " and resid 116 and name HG1 )) (( segid " " and resid 116 and name HB2 )) 3.100 1.200 1.200 peak 736 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 1.368 ppm2 1.215 CV 1 ASSI { 737} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HA )) 2.800 1.000 1.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.16338E-02 ppm1 2.621 ppm2 3.804 CV 1 ASSI { 738} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HG1 )) 1.900 0.400 0.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.75809E-02 ppm1 2.618 ppm2 2.480 CV 1 ASSI { 739} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HB1 )) 2.900 1.000 1.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.16788E-02 ppm1 2.613 ppm2 2.174 CV 1 ASSI { 744} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 112 and name HB1 )) 3.600 1.600 1.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.17430E-02 ppm1 2.464 ppm2 3.021 CV 1 ASSI { 745} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 15 and name HB )) 3.200 3.200 2.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.28591E-02 ppm1 2.460 ppm2 1.996 CV 1 OR { 745} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 15 and name HB )) OR { 745} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 15 and name HG11)) OR { 745} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 15 and name HG11)) OR { 745} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 15 and name HG12)) ASSI { 750} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 152 and name HB2 )) 3.300 1.400 1.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.16269E-02 ppm1 2.179 ppm2 1.828 CV 1 ASSI { 753} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HB1 )) 1.800 0.400 0.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.64864E-02 ppm1 2.162 ppm2 1.508 CV 1 ASSI { 755} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 60 and name HG1 )) 3.500 3.500 2.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.20078E-02 ppm1 2.161 ppm2 0.775 CV 1 OR { 755} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 60 and name HG2 )) ASSI { 759} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 107 and name HA )) 3.100 3.100 2.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.28182E-02 ppm1 1.881 ppm2 3.948 CV 1 ASSI { 761} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HG1 )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.24655E-02 ppm1 1.881 ppm2 1.361 CV 1 OR { 761} (( segid " " and resid 158 and name HB1 )) (( segid " " and resid 158 and name HG2 )) ASSI { 762} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 107 and name HA )) 2.900 2.900 3.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.21992E-02 ppm1 1.706 ppm2 3.939 CV 1 ASSI { 763} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HB1 )) 1.500 0.300 0.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.15970E-01 ppm1 1.706 ppm2 1.849 CV 1 ASSI { 764} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HG2 )) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 1.705 ppm2 1.312 CV 1 OR { 764} (( segid " " and resid 158 and name HB2 )) (( segid " " and resid 158 and name HG1 )) ASSI { 766} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 60 and name HG1 )) 3.400 3.400 2.600 peak 766 spectrum 1 weight 0.10000E+01 volume 0.23866E-02 ppm1 1.521 ppm2 0.775 CV 1 OR { 766} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 60 and name HG2 )) ASSI { 767} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HD2 )) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.25698E-02 ppm1 1.512 ppm2 1.654 CV 1 OR { 767} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HD1 )) ASSI { 774} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.41307E-02 ppm1 2.240 ppm2 8.870 CV 1 OR { 774} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 35 and name HN )) ASSI { 775} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.17915E-02 ppm1 2.240 ppm2 8.045 CV 1 OR { 775} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HN )) ASSI { 776} (( segid " " and resid 111 and name HB )) (( segid " " and resid 111 and name HA )) 2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.15357E-02 ppm1 2.241 ppm2 4.729 CV 1 ASSI { 782} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HB1 )) 2.700 0.900 0.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.25429E-02 ppm1 2.236 ppm2 2.484 CV 1 OR { 782} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HB1 )) ASSI { 785} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 86 and name HB2 )) 2.800 2.800 3.200 peak 785 spectrum 1 weight 0.10000E+01 volume 0.11413E-01 ppm1 2.009 ppm2 1.800 CV 1 ASSI { 792} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 1.800 0.400 0.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.67671E-02 ppm1 1.722 ppm2 0.930 CV 1 ASSI { 793} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.31385E-02 ppm1 1.724 ppm2 8.174 CV 1 ASSI { 795} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG2 )) 2.800 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.18391E-02 ppm1 1.710 ppm2 1.166 CV 1 OR { 795} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG1 )) ASSI { 799} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HE2 )) 3.300 1.400 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 1.090 ppm2 2.777 CV 1 OR { 799} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HE1 )) ASSI { 800} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HN )) 3.100 1.200 1.200 peak 800 spectrum 1 weight 0.10000E+01 volume 0.17401E-02 ppm1 1.029 ppm2 9.364 CV 1 ASSI { 801} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HA )) 2.600 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.25493E-02 ppm1 1.028 ppm2 3.969 CV 1 ASSI { 802} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HG2 )) 2.900 1.000 1.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 1.032 ppm2 0.727 CV 1 OR { 802} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HG1 )) OR { 802} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HG2 )) OR { 802} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HG1 )) ASSI { 805} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG1 )) 2.900 1.100 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.14485E-02 ppm1 0.923 ppm2 1.166 CV 1 OR { 805} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG2 )) ASSI { 814} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 157 and name HG1 )) 2.800 2.800 3.200 peak 814 spectrum 1 weight 0.10000E+01 volume 0.98131E-02 ppm1 1.058 ppm2 2.191 CV 1 OR { 814} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 157 and name HG2 )) OR { 814} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 157 and name HG1 )) OR { 814} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 157 and name HG2 )) ASSI { 817} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 88 and name HB2 )) 3.700 1.700 1.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.28019E-02 ppm1 2.544 ppm2 2.044 CV 1 ASSI { 819} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 86 and name HB2 )) 3.300 1.300 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 2.527 ppm2 1.849 CV 1 ASSI { 820} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD2 )) 3.200 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 2.522 ppm2 3.021 CV 1 OR { 820} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD1 )) ASSI { 821} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG1 )) 2.700 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.32777E-02 ppm1 2.519 ppm2 1.654 CV 1 ASSI { 824} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.48027E-02 ppm1 2.351 ppm2 4.389 CV 1 ASSI { 825} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HG2 )) 2.400 0.700 0.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.38930E-02 ppm1 2.351 ppm2 2.078 CV 1 OR { 825} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HG1 )) ASSI { 826} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HB1 )) 1.600 0.300 0.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12797E-01 ppm1 2.348 ppm2 1.808 CV 1 ASSI { 840} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HB2 )) 1.600 0.300 0.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.72707E-02 ppm1 1.019 ppm2 2.533 CV 1 ASSI { 841} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 156 and name HB1 )) 3.300 1.300 1.300 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 1.014 ppm2 1.849 CV 1 ASSI { 842} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG1 )) 2.200 0.600 0.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.28947E-02 ppm1 1.012 ppm2 1.654 CV 1 ASSI { 843} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HN )) 3.400 1.400 1.400 peak 843 spectrum 1 weight 0.10000E+01 volume 0.27346E-02 ppm1 2.771 ppm2 8.536 CV 1 ASSI { 844} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 2.771 ppm2 4.095 CV 1 ASSI { 845} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HG1 )) 1.600 0.300 0.600 peak 845 spectrum 1 weight 0.10000E+01 volume 0.22793E-01 ppm1 2.775 ppm2 2.630 CV 1 ASSI { 846} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HB1 )) 2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.59307E-02 ppm1 2.772 ppm2 2.191 CV 1 ASSI { 847} (( segid " " and resid 19 and name HG2 )) ( segid " " and resid 15 and name HG2%) 2.100 2.100 3.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.22193E-02 ppm1 2.770 ppm2 0.971 CV 1 ASSI { 848} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HN )) 3.600 1.600 1.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 2.654 ppm2 8.536 CV 1 ASSI { 849} (( segid " " and resid 19 and name HG1 )) ( segid " " and resid 15 and name HG2%) 3.100 3.100 2.900 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 2.654 ppm2 0.971 CV 1 ASSI { 851} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HB1 )) 2.600 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.51533E-02 ppm1 2.650 ppm2 2.191 CV 1 ASSI { 854} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 15 and name HA )) 3.000 3.000 3.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.22850E-02 ppm1 2.202 ppm2 3.447 CV 1 OR { 854} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 15 and name HA )) ASSI { 859} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 2.500 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.24301E-02 ppm1 2.161 ppm2 4.868 CV 1 OR { 859} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 870} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 38 and name HD2%) 2.100 2.100 3.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.22803E-02 ppm1 2.161 ppm2 0.135 CV 1 ASSI { 879} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 131 and name HE2 )) 3.500 3.500 2.500 peak 879 spectrum 1 weight 0.10000E+01 volume 0.18763E-02 ppm1 1.890 ppm2 2.044 CV 1 OR { 879} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 131 and name HE1 )) ASSI { 882} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 1.800 0.400 0.400 peak 882 spectrum 1 weight 0.10000E+01 volume 0.76070E-02 ppm1 1.867 ppm2 2.386 CV 1 ASSI { 883} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HG2 )) 2.500 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.51751E-02 ppm1 1.749 ppm2 2.158 CV 1 OR { 883} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 157 and name HG1 )) ASSI { 885} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.900 1.100 1.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.17187E-02 ppm1 2.244 ppm2 8.537 CV 1 ASSI { 887} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.19983E-02 ppm1 2.245 ppm2 4.069 CV 1 ASSI { 888} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HG2 )) 2.900 1.100 1.100 peak 888 spectrum 1 weight 0.10000E+01 volume 0.21591E-02 ppm1 2.240 ppm2 2.777 CV 1 OR { 888} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HG2 )) ASSI { 892} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.18126E-02 ppm1 2.175 ppm2 8.539 CV 1 ASSI { 896} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG2 )) 2.800 1.000 1.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.18364E-02 ppm1 1.631 ppm2 2.143 CV 1 OR { 896} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HG1 )) ASSI { 901} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15094E-02 ppm1 2.188 ppm2 8.782 CV 1 ASSI { 902} (( segid " " and resid 15 and name HG12)) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.18670E-02 ppm1 1.967 ppm2 3.465 CV 1 OR { 902} (( segid " " and resid 15 and name HG11)) (( segid " " and resid 15 and name HA )) ASSI { 904} (( segid " " and resid 15 and name HG11)) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.26891E-02 ppm1 1.973 ppm2 8.435 CV 1 OR { 904} (( segid " " and resid 15 and name HG12)) (( segid " " and resid 15 and name HN )) ASSI { 932} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.500 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.33476E-02 ppm1 2.498 ppm2 4.680 CV 1 ASSI { 935} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.21389E-02 ppm1 2.187 ppm2 8.053 CV 1 ASSI { 936} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 3.300 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.12977E-02 ppm1 2.179 ppm2 4.674 CV 1 ASSI { 937} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.800 0.400 0.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.69264E-02 ppm1 2.180 ppm2 2.469 CV 1 ASSI { 940} (( segid " " and resid 42 and name HG11)) (( segid " " and resid 41 and name HB )) 3.200 3.200 2.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.19350E-02 ppm1 1.695 ppm2 4.299 CV 1 OR { 940} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 41 and name HB )) ASSI { 947} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HB2 )) 2.500 2.500 3.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.34238E-02 ppm1 1.608 ppm2 2.777 CV 1 ASSI { 951} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG1 )) 2.500 0.800 0.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.37744E-02 ppm1 1.510 ppm2 1.166 CV 1 OR { 951} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HG2 )) OR { 951} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HG1 )) OR { 951} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HG2 )) ASSI { 952} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HE1 )) 2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.38761E-02 ppm1 1.502 ppm2 3.023 CV 1 OR { 952} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HE1 )) OR { 952} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HE2 )) OR { 952} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HE2 )) ASSI { 953} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 100 and name HB1 )) 3.200 1.300 1.300 peak 953 spectrum 1 weight 0.10000E+01 volume 0.13486E-02 ppm1 1.500 ppm2 2.133 CV 1 OR { 953} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 100 and name HB1 )) OR { 953} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 100 and name HB2 )) OR { 953} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 100 and name HB2 )) ASSI { 954} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 10 and name HB1 )) 3.100 1.200 1.200 peak 954 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 1.498 ppm2 0.914 CV 1 ASSI { 957} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 55 and name HN )) 3.800 1.800 1.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 1.755 ppm2 8.666 CV 1 ASSI { 959} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HG2 )) 2.300 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.45584E-02 ppm1 1.748 ppm2 0.824 CV 1 OR { 959} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 60 and name HG1 )) ASSI { 960} (( segid " " and resid 10 and name HD2 )) (( segid " " and resid 97 and name HG )) 3.100 3.100 2.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.21982E-02 ppm1 1.547 ppm2 1.849 CV 1 OR { 960} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 97 and name HG )) ASSI { 965} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HG2 )) 2.400 0.700 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.43854E-02 ppm1 2.172 ppm2 1.312 CV 1 OR { 965} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HG1 )) ASSI { 969} (( segid " " and resid 97 and name HG )) (( segid " " and resid 97 and name HN )) 2.600 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.21871E-02 ppm1 1.835 ppm2 8.056 CV 1 ASSI { 970} (( segid " " and resid 97 and name HG )) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.21698E-02 ppm1 1.840 ppm2 4.339 CV 1 ASSI { 971} (( segid " " and resid 97 and name HG )) ( segid " " and resid 97 and name HD1%) 2.200 0.600 0.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.80266E-02 ppm1 1.836 ppm2 1.019 CV 1 OR { 971} (( segid " " and resid 97 and name HG )) ( segid " " and resid 97 and name HD2%) ASSI { 974} (( segid " " and resid 42 and name HG11)) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.43796E-02 ppm1 1.702 ppm2 4.006 CV 1 OR { 974} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 42 and name HA )) ASSI { 978} (( segid " " and resid 42 and name HG12)) ( segid " " and resid 42 and name HG2%) 2.500 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.63913E-02 ppm1 1.689 ppm2 0.783 CV 1 OR { 978} (( segid " " and resid 42 and name HG11)) ( segid " " and resid 42 and name HG2%) ASSI { 979} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 1.500 0.300 0.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.17181E-01 ppm1 1.635 ppm2 2.156 CV 1 ASSI { 981} (( segid " " and resid 135 and name HG11)) (( segid " " and resid 135 and name HB )) 2.000 0.500 0.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.15241E-01 ppm1 1.325 ppm2 1.716 CV 1 OR { 981} (( segid " " and resid 135 and name HG12)) (( segid " " and resid 135 and name HB )) ASSI { 984} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 131 and name HB2 )) 3.500 1.500 1.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 1.254 ppm2 2.142 CV 1 ASSI { 987} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 0.916 ppm2 5.285 CV 1 OR { 987} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HA )) ASSI { 994} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 3.100 1.200 1.200 peak 994 spectrum 1 weight 0.10000E+01 volume 0.30199E-02 ppm1 2.400 ppm2 8.163 CV 1 ASSI { 995} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 2.402 ppm2 3.988 CV 1 ASSI { 996} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG1 )) 2.300 0.700 0.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.77651E-02 ppm1 2.400 ppm2 1.984 CV 1 ASSI { 999} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG1 )) 2.600 0.800 0.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 2.165 ppm2 2.446 CV 1 OR { 999} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) OR { 999} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG1 )) OR { 999} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) ASSI { 1003} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 43 and name HA )) 3.400 1.400 1.400 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.28250E-02 ppm1 2.119 ppm2 4.219 CV 1 ASSI { 1004} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HB1 )) 1.500 0.300 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.15182E-01 ppm1 2.086 ppm2 1.745 CV 1 ASSI { 1007} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HA )) 3.400 1.500 1.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 2.060 ppm2 4.351 CV 1 OR { 1007} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HA )) ASSI { 1008} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20994E-02 ppm1 2.056 ppm2 4.237 CV 1 ASSI { 1009} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 2.400 0.700 0.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.33648E-02 ppm1 2.044 ppm2 3.997 CV 1 ASSI { 1017} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 86 and name HN )) 2.900 2.900 3.100 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 1.789 ppm2 9.171 CV 1 ASSI { 1018} (( segid " " and resid 60 and name HD2 )) (( segid " " and resid 86 and name HA )) 3.100 3.100 2.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.16817E-02 ppm1 1.788 ppm2 5.608 CV 1 ASSI { 1030} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 107 and name HA )) 3.200 1.300 1.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.28796E-02 ppm1 1.561 ppm2 3.997 CV 1 OR { 1030} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 107 and name HA )) ASSI { 1035} (( segid " " and resid 69 and name HG )) (( segid " " and resid 70 and name HN )) 3.400 1.400 1.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 1.477 ppm2 9.523 CV 1 ASSI { 1039} (( segid " " and resid 113 and name HG11)) ( segid " " and resid 113 and name HG2%) 2.100 0.500 0.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.12999E-01 ppm1 1.295 ppm2 0.565 CV 1 OR { 1039} (( segid " " and resid 113 and name HG12)) ( segid " " and resid 113 and name HG2%) ASSI { 1040} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HG2 )) 2.900 1.000 1.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.20780E-02 ppm1 1.200 ppm2 1.439 CV 1 ASSI { 1041} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB1 )) 2.000 0.500 0.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.38984E-02 ppm1 1.201 ppm2 0.902 CV 1 ASSI { 1045} ( segid " " and resid 84 and name HD2%) ( segid " " and resid 71 and name HG1%) 3.100 3.100 2.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.19902E-02 ppm1 0.936 ppm2 0.580 CV 1 OR { 1045} ( segid " " and resid 84 and name HD1%) ( segid " " and resid 71 and name HG1%) ASSI { 1050} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HG )) 2.100 2.100 3.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.10257E-01 ppm1 0.571 ppm2 1.263 CV 1 ASSI { 1054} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.21500E-02 ppm1 1.624 ppm2 6.998 CV 1 ASSI { 1056} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 119 and name HD1%) 2.700 0.900 0.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 1.588 ppm2 -0.201 CV 1 ASSI { 1057} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 116 and name HA )) 3.600 3.600 2.400 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.16200E-02 ppm1 1.581 ppm2 3.615 CV 1 ASSI { 1061} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 81 and name HN )) 3.300 1.400 1.400 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.15121E-02 ppm1 1.523 ppm2 8.804 CV 1 OR { 1061} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 81 and name HN )) ASSI { 1062} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 105 and name HA )) 3.000 3.000 3.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 1.526 ppm2 4.383 CV 1 OR { 1062} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 105 and name HA )) ASSI { 1063} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 107 and name HG1 )) 2.300 0.600 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.60630E-02 ppm1 1.522 ppm2 0.678 CV 1 OR { 1063} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 107 and name HG2 )) OR { 1063} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 107 and name HG1 )) OR { 1063} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 107 and name HG2 )) ASSI { 1065} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 157 and name HG1 )) 3.000 3.000 3.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.39534E-02 ppm1 1.493 ppm2 2.155 CV 1 OR { 1065} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 157 and name HG1 )) OR { 1065} (( segid " " and resid 107 and name HD2 )) (( segid " " and resid 157 and name HG2 )) OR { 1065} (( segid " " and resid 107 and name HD1 )) (( segid " " and resid 157 and name HG2 )) ASSI { 1074} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 131 and name HG2 )) 2.900 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 1.260 ppm2 1.459 CV 1 OR { 1074} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 131 and name HG1 )) ASSI { 1078} (( segid " " and resid 119 and name HG11)) (( segid " " and resid 119 and name HN )) 3.800 1.800 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.17457E-02 ppm1 1.144 ppm2 7.127 CV 1 ASSI { 1085} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB2 )) 1.900 1.900 4.100 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.11182E-01 ppm1 1.069 ppm2 1.781 CV 1 ASSI { 1093} (( segid " " and resid 60 and name HD1 )) (( segid " " and resid 61 and name HN )) 2.700 2.700 3.300 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.37876E-02 ppm1 0.568 ppm2 8.183 CV 1 ASSI { 1097} (( segid " " and resid 60 and name HD1 )) (( segid " " and resid 60 and name HD2 )) 1.800 0.400 0.400 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.53475E-02 ppm1 0.567 ppm2 1.759 CV 1 ASSI { 1099} ( segid " " and resid 89 and name HD1%) ( segid " " and resid 89 and name HD2%) 2.600 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.45504E-02 ppm1 0.572 ppm2 0.307 CV 1 ASSI { 1100} ( segid " " and resid 38 and name HD2%) ( segid " " and resid 35 and name HD% ) 2.300 2.300 3.700 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.15733E-02 ppm1 0.182 ppm2 6.159 CV 1 ASSI { 1103} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HB2 )) 2.600 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.46280E-02 ppm1 0.180 ppm2 1.472 CV 1 OR { 1103} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HB1 )) ASSI { 1104} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HG )) 2.300 2.300 3.700 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.54890E-02 ppm1 0.180 ppm2 0.936 CV 1 ASSI { 1105} ( segid " " and resid 38 and name HD2%) ( segid " " and resid 38 and name HD1%) 2.300 2.300 3.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.97653E-02 ppm1 0.183 ppm2 0.779 CV 1 ASSI { 1106} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HB1 )) 1.800 0.400 0.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.92313E-02 ppm1 2.358 ppm2 2.191 CV 1 ASSI { 1108} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 129 and name HA )) 2.900 2.900 3.100 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.26559E-02 ppm1 2.249 ppm2 4.057 CV 1 ASSI { 1123} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HA )) 2.900 1.000 1.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.32496E-02 ppm1 1.641 ppm2 4.185 CV 1 ASSI { 1125} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HD1 )) 2.500 0.800 0.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 1.641 ppm2 3.029 CV 1 OR { 1125} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HD2 )) ASSI { 1130} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 119 and name HA )) 3.500 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.14257E-02 ppm1 1.594 ppm2 3.850 CV 1 ASSI { 1133} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 66 and name HN )) 3.800 1.800 1.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 1.405 ppm2 8.146 CV 1 ASSI { 1135} (( segid " " and resid 131 and name HD1 )) (( segid " " and resid 109 and name HB1 )) 2.700 2.700 3.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 1.404 ppm2 2.820 CV 1 ASSI { 1140} (( segid " " and resid 119 and name HG11)) (( segid " " and resid 119 and name HG12)) 1.800 0.400 0.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.61524E-02 ppm1 1.148 ppm2 1.560 CV 1 ASSI { 1142} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 69 and name HD1%) 2.400 2.400 3.600 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 1.102 ppm2 0.727 CV 1 ASSI { 1148} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HG )) 2.100 2.100 3.900 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.11172E-01 ppm1 0.555 ppm2 1.508 CV 1 ASSI { 1150} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HA )) 3.400 1.500 1.500 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.15083E-02 ppm1 0.556 ppm2 4.404 CV 1 ASSI { 1155} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HB2 )) 2.900 1.100 1.100 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.13687E-02 ppm1 1.650 ppm2 2.142 CV 1 ASSI { 1166} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HD1 )) 2.000 0.500 0.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.11751E-01 ppm1 1.185 ppm2 1.556 CV 1 OR { 1166} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HD1 )) ASSI { 1173} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HA )) 3.700 1.700 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 0.705 ppm2 5.225 CV 1 ASSI { 1174} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HB2 )) 2.300 2.300 3.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.52985E-02 ppm1 0.705 ppm2 1.624 CV 1 ASSI { 1176} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 106 and name HB% ) 2.500 2.500 3.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.55761E-02 ppm1 0.704 ppm2 1.106 CV 1 ASSI { 1178} (( segid " " and resid 86 and name HG )) ( segid " " and resid 86 and name HD2%) 2.000 0.500 0.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.78670E-02 ppm1 1.663 ppm2 0.967 CV 1 ASSI { 1187} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 97 and name HA )) 2.600 2.600 3.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.49067E-02 ppm1 0.978 ppm2 4.361 CV 1 ASSI { 1190} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 97 and name HB1 )) 2.100 0.500 0.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.17923E-01 ppm1 0.977 ppm2 1.789 CV 1 OR { 1190} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 97 and name HB2 )) ASSI { 1195} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 67 and name HN )) 2.200 2.200 3.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.78361E-02 ppm1 0.966 ppm2 7.196 CV 1 ASSI { 1196} ( segid " " and resid 97 and name HD2%) ( segid " " and resid 155 and name HE% ) 2.600 2.600 3.400 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.36154E-02 ppm1 0.966 ppm2 6.721 CV 1 ASSI { 1197} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 69 and name HA )) 3.500 3.500 2.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.26853E-02 ppm1 0.965 ppm2 5.269 CV 1 ASSI { 1202} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 102 and name HD1%) 2.700 2.700 3.300 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.50937E-02 ppm1 0.876 ppm2 0.561 CV 1 ASSI { 1207} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB1 )) 2.400 0.700 0.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.64377E-02 ppm1 0.843 ppm2 2.186 CV 1 OR { 1207} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB2 )) ASSI { 1208} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 15 and name HG12)) 2.900 2.900 3.100 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.21325E-02 ppm1 0.845 ppm2 1.957 CV 1 OR { 1208} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 15 and name HG11)) ASSI { 1209} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HG )) 2.000 0.500 0.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.12968E-01 ppm1 0.843 ppm2 1.501 CV 1 ASSI { 1212} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 72 and name HA1 )) 3.000 3.000 3.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.57345E-02 ppm1 0.787 ppm2 3.833 CV 1 ASSI { 1218} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HA )) 2.800 1.000 1.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.51290E-02 ppm1 0.994 ppm2 5.583 CV 1 ASSI { 1220} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 98 and name HN )) 3.800 1.800 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.14284E-02 ppm1 0.991 ppm2 9.522 CV 1 ASSI { 1221} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 66 and name HN )) 3.100 1.200 1.200 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.27608E-02 ppm1 0.990 ppm2 8.140 CV 1 ASSI { 1223} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HH11)) 2.300 2.300 3.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.25439E-02 ppm1 0.993 ppm2 6.624 CV 1 OR { 1223} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HH12)) ASSI { 1225} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 88 and name HB2 )) 2.300 0.700 0.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.43504E-02 ppm1 0.989 ppm2 2.045 CV 1 ASSI { 1228} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HA )) 2.800 2.800 3.200 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 0.800 ppm2 4.192 CV 1 ASSI { 1229} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 25 and name HA )) 3.600 1.600 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 0.801 ppm2 3.490 CV 1 ASSI { 1230} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.87693E-02 ppm1 0.802 ppm2 1.895 CV 1 ASSI { 1231} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HG )) 2.000 0.500 0.500 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.12936E-01 ppm1 0.793 ppm2 1.646 CV 1 ASSI { 1233} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HB2 )) 3.100 1.200 1.200 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.17279E-02 ppm1 0.984 ppm2 1.802 CV 1 ASSI { 1234} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HA )) 3.600 1.600 1.600 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.23836E-02 ppm1 0.635 ppm2 5.277 CV 1 OR { 1234} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HA )) ASSI { 1235} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HG )) 2.100 0.600 0.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.10869E-01 ppm1 0.637 ppm2 1.459 CV 1 OR { 1235} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HG )) ASSI { 1239} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 152 and name HG1 )) 2.900 1.100 1.100 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.37621E-02 ppm1 1.674 ppm2 1.263 CV 1 OR { 1239} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 152 and name HG1 )) OR { 1239} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 152 and name HG2 )) OR { 1239} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 152 and name HG2 )) ASSI { 1247} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HE1 )) 2.600 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.28329E-02 ppm1 1.273 ppm2 2.978 CV 1 OR { 1247} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HE2 )) OR { 1247} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HE1 )) OR { 1247} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HE2 )) ASSI { 1255} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.85147E-02 ppm1 0.633 ppm2 1.625 CV 1 ASSI { 1259} (( segid " " and resid 100 and name HG )) (( segid " " and resid 15 and name HN )) 3.600 3.600 2.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 1.515 ppm2 8.449 CV 1 ASSI { 1261} (( segid " " and resid 100 and name HG )) ( segid " " and resid 100 and name HD1%) 2.500 0.800 0.800 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.31293E-02 ppm1 1.491 ppm2 0.964 CV 1 ASSI { 1263} (( segid " " and resid 102 and name HG )) (( segid " " and resid 109 and name HB1 )) 3.500 1.600 1.600 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 1.508 ppm2 2.754 CV 1 ASSI { 1279} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 88 and name HH22)) 3.100 3.100 2.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.43668E-02 ppm1 1.090 ppm2 7.314 CV 1 OR { 1279} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 88 and name HH22)) OR { 1279} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 88 and name HH21)) ASSI { 1290} (( segid " " and resid 38 and name HG )) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.90085E-02 ppm1 0.966 ppm2 4.100 CV 1 ASSI { 1292} (( segid " " and resid 38 and name HG )) (( segid " " and resid 38 and name HB2 )) 1.900 0.500 0.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.15891E-01 ppm1 0.967 ppm2 1.492 CV 1 OR { 1292} (( segid " " and resid 38 and name HG )) (( segid " " and resid 38 and name HB1 )) ASSI { 1293} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HA )) 3.000 1.100 1.100 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.17898E-02 ppm1 0.742 ppm2 3.933 CV 1 OR { 1293} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HA )) ASSI { 1294} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HE2 )) 2.700 0.900 0.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.31889E-02 ppm1 0.739 ppm2 2.802 CV 1 OR { 1294} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HE1 )) OR { 1294} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HE2 )) OR { 1294} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HE1 )) ASSI { 1295} (( segid " " and resid 107 and name HG2 )) (( segid " " and resid 107 and name HB1 )) 1.900 0.400 0.400 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.16011E-01 ppm1 0.740 ppm2 1.019 CV 1 OR { 1295} (( segid " " and resid 107 and name HG1 )) (( segid " " and resid 107 and name HB1 )) ASSI { 1307} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 0.911 ppm2 8.780 CV 1 ASSI { 1308} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HN )) 2.700 2.700 3.300 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.28830E-02 ppm1 0.912 ppm2 8.176 CV 1 ASSI { 1309} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 152 and name HA )) 3.600 1.600 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 0.910 ppm2 4.776 CV 1 ASSI { 1310} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HA )) 2.300 0.700 0.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.45025E-02 ppm1 0.911 ppm2 4.577 CV 1 ASSI { 1313} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 61 and name HD1%) 1.900 1.900 4.100 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.19329E-01 ppm1 0.908 ppm2 0.520 CV 1 ASSI { 1314} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 89 and name HB2 )) 2.400 2.400 3.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.35203E-02 ppm1 0.882 ppm2 1.166 CV 1 ASSI { 1315} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HG )) 2.300 0.700 0.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.63039E-02 ppm1 0.849 ppm2 1.654 CV 1 ASSI { 1316} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.11426E-01 ppm1 0.842 ppm2 4.192 CV 1 ASSI { 1317} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB2 )) 2.600 2.600 3.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.31568E-02 ppm1 0.843 ppm2 1.898 CV 1 ASSI { 1318} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB1 )) 2.400 0.700 0.700 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.77381E-02 ppm1 0.841 ppm2 1.361 CV 1 ASSI { 1328} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.90171E-02 ppm1 0.774 ppm2 3.790 CV 1 OR { 1328} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HA )) ASSI { 1330} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HG )) 2.000 0.500 0.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.12178E-01 ppm1 0.778 ppm2 1.602 CV 1 OR { 1330} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HG )) ASSI { 1331} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HB1 )) 2.200 0.600 0.600 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.12040E-01 ppm1 0.779 ppm2 1.508 CV 1 OR { 1331} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HB1 )) ASSI { 1335} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 23 and name HN )) 3.400 1.400 1.400 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.13613E-02 ppm1 1.408 ppm2 7.773 CV 1 ASSI { 1340} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 1.093 ppm2 8.842 CV 1 OR { 1340} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 62 and name HN )) ASSI { 1346} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HB )) 2.300 0.700 0.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.66454E-02 ppm1 1.092 ppm2 4.557 CV 1 ASSI { 1349} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 64 and name HG1 )) 2.000 0.500 0.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.57485E-02 ppm1 1.095 ppm2 1.589 CV 1 OR { 1349} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 64 and name HG1 )) ASSI { 1352} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 94 and name HN )) 2.300 2.300 3.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.15896E-02 ppm1 1.034 ppm2 8.402 CV 1 ASSI { 1354} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 97 and name HN )) 2.900 1.100 1.100 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.29437E-02 ppm1 1.033 ppm2 8.048 CV 1 ASSI { 1357} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 97 and name HA )) 2.800 2.800 3.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.89037E-02 ppm1 1.031 ppm2 4.341 CV 1 ASSI { 1358} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 85 and name HB )) 2.400 0.700 0.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.39116E-02 ppm1 1.033 ppm2 4.004 CV 1 ASSI { 1361} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 97 and name HB2 )) 2.200 0.600 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10537E-01 ppm1 1.033 ppm2 1.784 CV 1 OR { 1361} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 97 and name HB1 )) ASSI { 1382} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 122 and name HE% ) 2.800 1.000 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.25443E-02 ppm1 0.567 ppm2 6.366 CV 1 ASSI { 1383} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 130 and name HA )) 2.200 0.600 0.600 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.67178E-02 ppm1 0.567 ppm2 4.892 CV 1 ASSI { 1384} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 129 and name HA )) 3.800 1.800 1.800 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.13439E-02 ppm1 0.568 ppm2 4.052 CV 1 ASSI { 1385} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 119 and name HD1%) 2.400 2.400 3.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.58978E-02 ppm1 0.567 ppm2 -0.212 CV 1 ASSI { 1386} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.23695E-02 ppm1 0.567 ppm2 9.608 CV 1 ASSI { 1387} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 130 and name HN )) 2.300 0.700 0.700 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.60040E-02 ppm1 0.566 ppm2 8.120 CV 1 ASSI { 1388} ( segid " " and resid 130 and name HB% ) ( segid " " and resid 122 and name HD% ) 2.300 2.300 3.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.62667E-02 ppm1 0.567 ppm2 6.781 CV 1 ASSI { 1397} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 97 and name HB2 )) 2.700 2.700 3.300 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.33387E-02 ppm1 0.287 ppm2 1.771 CV 1 OR { 1397} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 97 and name HB1 )) ASSI { 1398} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 89 and name HG )) 2.200 0.600 0.600 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.73861E-02 ppm1 0.287 ppm2 1.281 CV 1 ASSI { 1399} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 89 and name HB1 )) 2.400 2.400 3.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.84740E-02 ppm1 0.287 ppm2 0.962 CV 1 ASSI { 1402} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 89 and name HB2 )) 2.900 2.900 3.100 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.18360E-02 ppm1 0.286 ppm2 1.167 CV 1 ASSI { 1412} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 83 and name HB2 )) 2.700 0.900 0.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 0.020 ppm2 2.305 CV 1 ASSI { 1413} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 83 and name HB1 )) 3.400 1.500 1.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.31216E-02 ppm1 0.022 ppm2 2.145 CV 1 ASSI { 1420} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 22 and name HN )) 2.600 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.49981E-02 ppm1 1.408 ppm2 8.364 CV 1 ASSI { 1422} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 22 and name HB )) 2.300 0.600 0.600 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.84307E-02 ppm1 1.406 ppm2 4.128 CV 1 ASSI { 1439} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.16454E-02 ppm1 1.220 ppm2 4.962 CV 1 ASSI { 1441} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 60 and name HD2 )) 2.500 2.500 3.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.39291E-02 ppm1 1.207 ppm2 1.752 CV 1 ASSI { 1446} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 44 and name HN )) 3.800 1.800 1.800 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 0.902 ppm2 8.050 CV 1 ASSI { 1448} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HA )) 2.500 2.500 3.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.89022E-02 ppm1 0.899 ppm2 3.421 CV 1 ASSI { 1451} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 50 and name HG2 )) 2.500 2.500 3.500 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.97403E-02 ppm1 0.902 ppm2 2.086 CV 1 ASSI { 1452} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) 2.600 2.600 3.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.14660E-01 ppm1 0.899 ppm2 1.430 CV 1 ASSI { 1454} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.900 2.900 3.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.11055E-01 ppm1 0.817 ppm2 4.241 CV 1 ASSI { 1460} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 131 and name HE2 )) 3.200 1.300 1.300 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.14669E-02 ppm1 1.394 ppm2 2.093 CV 1 OR { 1460} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 131 and name HE1 )) ASSI { 1464} ( segid " " and resid 104 and name HG2%) (( segid " " and resid 104 and name HA )) 2.400 0.700 0.700 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.94147E-02 ppm1 1.344 ppm2 4.241 CV 1 ASSI { 1465} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HB )) 2.200 0.600 0.600 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.11568E-01 ppm1 1.320 ppm2 4.290 CV 1 ASSI { 1468} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HA )) 2.500 0.800 0.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.62000E-02 ppm1 1.317 ppm2 3.846 CV 1 ASSI { 1476} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HA )) 2.000 2.000 4.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.22161E-01 ppm1 1.270 ppm2 4.697 CV 1 ASSI { 1479} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20612E-02 ppm1 1.265 ppm2 3.948 CV 1 ASSI { 1482} ( segid " " and resid 133 and name HG2%) (( segid " " and resid 133 and name HN )) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.19962E-02 ppm1 1.251 ppm2 7.348 CV 1 ASSI { 1486} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HB )) 2.100 0.600 0.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.14046E-01 ppm1 1.234 ppm2 4.436 CV 1 ASSI { 1487} ( segid " " and resid 154 and name HG2%) (( segid " " and resid 155 and name HN )) 3.600 1.600 1.600 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.23429E-02 ppm1 1.220 ppm2 8.000 CV 1 ASSI { 1488} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.16305E-02 ppm1 1.206 ppm2 7.181 CV 1 ASSI { 1496} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 120 and name HA )) 2.500 0.800 0.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.83036E-02 ppm1 1.165 ppm2 4.485 CV 1 ASSI { 1497} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 120 and name HB )) 2.200 0.600 0.600 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.12193E-01 ppm1 1.168 ppm2 4.339 CV 1 ASSI { 1499} ( segid " " and resid 120 and name HG2%) ( segid " " and resid 119 and name HD1%) 2.300 2.300 3.700 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.12885E-02 ppm1 1.166 ppm2 -0.201 CV 1 ASSI { 1512} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 60 and name HG1 )) 2.600 2.600 3.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.78948E-02 ppm1 1.104 ppm2 0.824 CV 1 OR { 1512} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 60 and name HG2 )) ASSI { 1514} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 112 and name HN )) 3.400 1.400 1.400 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.15958E-02 ppm1 0.849 ppm2 9.122 CV 1 ASSI { 1515} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 111 and name HN )) 2.400 0.700 0.700 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.44954E-02 ppm1 0.850 ppm2 8.878 CV 1 ASSI { 1516} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 111 and name HA )) 2.400 2.400 3.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.54796E-02 ppm1 0.847 ppm2 4.759 CV 1 ASSI { 1517} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 111 and name HB )) 2.200 0.600 0.600 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.92938E-02 ppm1 0.849 ppm2 2.240 CV 1 ASSI { 1518} ( segid " " and resid 111 and name HG1%) (( segid " " and resid 110 and name HA2 )) 3.600 1.600 1.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 0.844 ppm2 5.120 CV 1 ASSI { 1524} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.85997E-02 ppm1 0.809 ppm2 5.268 CV 1 ASSI { 1525} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 71 and name HB )) 2.100 0.500 0.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.11915E-01 ppm1 0.811 ppm2 1.752 CV 1 ASSI { 1528} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 126 and name HN )) 2.300 0.700 0.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.60123E-02 ppm1 1.413 ppm2 9.214 CV 1 ASSI { 1530} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HB2 )) 3.600 1.600 1.600 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 1.416 ppm2 2.866 CV 1 ASSI { 1532} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 131 and name HN )) 3.400 3.400 2.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.16019E-02 ppm1 1.411 ppm2 9.612 CV 1 ASSI { 1533} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 127 and name HN )) 2.600 0.800 0.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.17052E-02 ppm1 1.413 ppm2 7.622 CV 1 ASSI { 1534} ( segid " " and resid 126 and name HB% ) (( segid " " and resid 126 and name HA )) 2.100 0.500 0.500 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.10307E-01 ppm1 1.412 ppm2 5.173 CV 1 ASSI { 1541} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HN )) 3.000 3.000 3.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.24646E-02 ppm1 1.364 ppm2 6.901 CV 1 ASSI { 1542} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.48998E-02 ppm1 1.364 ppm2 4.782 CV 1 ASSI { 1543} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 2.200 0.600 0.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.96667E-02 ppm1 1.366 ppm2 4.328 CV 1 ASSI { 1551} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HD22)) 3.400 1.500 1.500 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.12449E-02 ppm1 1.187 ppm2 7.015 CV 1 OR { 1551} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 58 and name HD21)) ASSI { 1553} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HB )) 2.200 0.600 0.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.11058E-01 ppm1 1.183 ppm2 4.192 CV 1 ASSI { 1554} ( segid " " and resid 129 and name HB% ) (( segid " " and resid 130 and name HN )) 2.300 0.700 0.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.10032E-01 ppm1 1.130 ppm2 8.103 CV 1 ASSI { 1556} ( segid " " and resid 129 and name HB% ) (( segid " " and resid 129 and name HA )) 2.100 0.600 0.600 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.13342E-01 ppm1 1.130 ppm2 4.046 CV 1 ASSI { 1559} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.68551E-02 ppm1 1.033 ppm2 4.729 CV 1 OR { 1559} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 4 and name HB1 )) ASSI { 1560} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.56219E-02 ppm1 1.033 ppm2 4.290 CV 1 ASSI { 1562} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 95 and name HA )) 3.400 3.400 2.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 1.027 ppm2 3.411 CV 1 ASSI { 1564} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 137 and name HG1 )) 3.200 3.200 2.800 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.29205E-02 ppm1 1.024 ppm2 2.044 CV 1 OR { 1564} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 137 and name HG2 )) ASSI { 1565} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 152 and name HD1 )) 3.500 3.500 2.500 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.25505E-02 ppm1 1.025 ppm2 1.605 CV 1 OR { 1565} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 152 and name HD2 )) ASSI { 1566} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HB )) 2.300 0.600 0.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.71862E-02 ppm1 0.977 ppm2 2.240 CV 1 ASSI { 1567} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 112 and name HN )) 2.800 1.000 1.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.39769E-02 ppm1 0.971 ppm2 9.122 CV 1 ASSI { 1575} ( segid " " and resid 18 and name HG1%) (( segid " " and resid 18 and name HA )) 2.400 0.700 0.700 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.70530E-02 ppm1 0.872 ppm2 3.404 CV 1 ASSI { 1581} ( segid " " and resid 61 and name HD1%) ( segid " " and resid 155 and name HD% ) 4.000 2.000 2.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 0.532 ppm2 7.197 CV 1 ASSI { 1585} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HG12)) 1.900 0.500 0.500 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.15444E-01 ppm1 0.532 ppm2 1.113 CV 1 OR { 1585} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HG11)) ASSI { 1597} ( segid " " and resid 129 and name HB% ) (( segid " " and resid 125 and name HB1 )) 3.000 1.200 1.200 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.16509E-02 ppm1 1.123 ppm2 3.526 CV 1 ASSI { 1610} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HA )) 3.500 1.500 1.500 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.30145E-02 ppm1 0.530 ppm2 4.553 CV 1 ASSI { 1613} ( segid " " and resid 61 and name HD1%) (( segid " " and resid 61 and name HB )) 2.100 2.100 3.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.10856E-01 ppm1 0.530 ppm2 1.505 CV 1 ASSI { 1630} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 79 and name HA )) 2.100 0.600 0.600 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.13951E-01 ppm1 1.677 ppm2 4.440 CV 1 ASSI { 1636} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 107 and name HN )) 2.300 0.600 0.600 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.39804E-02 ppm1 1.125 ppm2 9.371 CV 1 ASSI { 1638} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 108 and name HN )) 2.900 1.100 1.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.22070E-02 ppm1 1.126 ppm2 7.499 CV 1 ASSI { 1649} ( segid " " and resid 48 and name HB% ) (( segid " " and resid 48 and name HA )) 2.100 0.500 0.500 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.14065E-01 ppm1 1.394 ppm2 4.130 CV 1 ASSI { 1658} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HD22)) 1.800 1.800 4.200 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.60983E-02 ppm1 1.667 ppm2 7.150 CV 1 ASSI { 1659} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 2.200 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.93471E-02 ppm1 1.665 ppm2 4.023 CV 1 ASSI { 1660} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 10 and name HE2 )) 2.700 2.700 3.300 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.36994E-02 ppm1 1.665 ppm2 3.035 CV 1 OR { 1660} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 10 and name HE1 )) ASSI { 1661} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 100 and name HD1%) 2.100 2.100 3.900 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.13193E-01 ppm1 1.668 ppm2 1.007 CV 1 ASSI { 1665} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 25 and name HB )) 2.900 2.900 3.100 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.59095E-02 ppm1 1.506 ppm2 1.772 CV 1 ASSI { 1673} ( segid " " and resid 140 and name HB% ) ( segid " " and resid 95 and name HG1%) 1.900 1.900 4.100 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.30589E-01 ppm1 1.433 ppm2 0.868 CV 1 OR { 1673} ( segid " " and resid 140 and name HB% ) ( segid " " and resid 95 and name HG2%) ASSI { 1681} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 153 and name HN )) 3.000 1.100 1.100 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.16482E-02 ppm1 1.112 ppm2 8.878 CV 1 OR { 1681} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 153 and name HN )) ASSI { 1682} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 153 and name HA )) 2.400 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.60361E-02 ppm1 1.112 ppm2 5.168 CV 1 OR { 1682} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 153 and name HA )) ASSI { 1683} ( segid " " and resid 153 and name HG1%) (( segid " " and resid 153 and name HB )) 2.200 0.600 0.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.86493E-02 ppm1 1.113 ppm2 2.484 CV 1 OR { 1683} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 153 and name HB )) ASSI { 1701} ( segid " " and resid 93 and name HB% ) (( segid " " and resid 89 and name HG )) 3.500 1.500 1.500 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 0.522 ppm2 1.312 CV 1 ASSI { 1704} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 74 and name HN )) 2.300 2.300 3.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.66302E-02 ppm1 0.111 ppm2 6.974 CV 1 ASSI { 1705} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 74 and name HA )) 2.300 0.600 0.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.67568E-02 ppm1 0.110 ppm2 3.850 CV 1 ASSI { 1707} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 76 and name HN )) 3.000 3.000 3.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.32388E-02 ppm1 0.106 ppm2 7.804 CV 1 ASSI { 1708} ( segid " " and resid 74 and name HB% ) ( segid " " and resid 156 and name HE% ) 2.900 1.000 1.000 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.17545E-02 ppm1 0.105 ppm2 7.658 CV 1 ASSI { 1709} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 80 and name HN )) 3.300 1.300 1.300 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.22316E-02 ppm1 0.105 ppm2 7.316 CV 1 ASSI { 1710} ( segid " " and resid 74 and name HB% ) (( segid " " and resid 156 and name HZ )) 3.000 1.100 1.100 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.15334E-02 ppm1 0.105 ppm2 7.170 CV 1 ASSI { 1713} ( segid " " and resid 74 and name HB% ) ( segid " " and resid 79 and name HB% ) 3.800 3.800 2.200 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 0.107 ppm2 1.654 CV 1 ASSI { 1717} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HA )) 2.200 0.600 0.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.13713E-01 ppm1 1.472 ppm2 4.192 CV 1 ASSI { 1719} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 138 and name HN )) 2.200 0.600 0.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.11057E-01 ppm1 1.394 ppm2 8.243 CV 1 ASSI { 1721} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 138 and name HA )) 2.100 0.500 0.500 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.18245E-01 ppm1 1.394 ppm2 4.095 CV 1 ASSI { 1723} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 98 and name HN )) 2.100 0.600 0.600 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.93972E-02 ppm1 1.344 ppm2 9.561 CV 1 ASSI { 1725} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 99 and name HN )) 2.900 1.100 1.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.21601E-02 ppm1 1.344 ppm2 6.779 CV 1 ASSI { 1727} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 95 and name HA )) 2.500 0.800 0.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.34164E-02 ppm1 1.344 ppm2 3.411 CV 1 ASSI { 1733} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 71 and name HN )) 2.400 0.700 0.700 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.57895E-02 ppm1 0.562 ppm2 8.166 CV 1 ASSI { 1741} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HN )) 4.000 2.000 2.000 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.19777E-02 ppm1 0.166 ppm2 8.341 CV 1 ASSI { 1743} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.000 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.45249E-02 ppm1 0.163 ppm2 3.481 CV 1 ASSI { 1744} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 25 and name HG2%) 2.300 2.300 3.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.10124E-01 ppm1 0.159 ppm2 0.590 CV 1 ASSI { 1746} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 29 and name HD% ) 2.800 2.800 3.200 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.36478E-02 ppm1 0.163 ppm2 7.337 CV 1 ASSI { 1747} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 29 and name HE% ) 2.900 1.100 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.21112E-02 ppm1 0.163 ppm2 6.692 CV 1 ASSI { 1752} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 92 and name HN )) 2.200 0.600 0.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.11881E-01 ppm1 1.416 ppm2 7.999 CV 1 ASSI { 1755} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 144 and name HN )) 2.700 0.900 0.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.24226E-02 ppm1 1.348 ppm2 8.341 CV 1 ASSI { 1756} ( segid " " and resid 143 and name HB% ) (( segid " " and resid 143 and name HN )) 2.200 0.600 0.600 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.84989E-02 ppm1 1.349 ppm2 7.902 CV 1 ASSI { 1760} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 135 and name HN )) 3.300 1.400 1.400 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.36140E-02 ppm1 1.069 ppm2 8.642 CV 1 ASSI { 1764} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 133 and name HB )) 3.700 1.700 1.700 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 1.070 ppm2 4.339 CV 1 ASSI { 1767} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 102 and name HB2 )) 2.600 2.600 3.400 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.23509E-02 ppm1 1.065 ppm2 1.605 CV 1 ASSI { 1770} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 14 and name HB% ) 3.300 3.300 2.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.46936E-02 ppm1 0.960 ppm2 1.654 CV 1 ASSI { 1787} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.17708E-02 ppm1 0.958 ppm2 8.446 CV 1 ASSI { 1789} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.27007E-02 ppm1 0.960 ppm2 4.222 CV 1 ASSI { 1790} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 105 and name HB2 )) 2.600 2.600 3.400 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.75405E-02 ppm1 0.962 ppm2 4.016 CV 1 ASSI { 1794} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 114 and name HN )) 2.500 2.500 3.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.40265E-02 ppm1 0.590 ppm2 8.240 CV 1 ASSI { 1797} ( segid " " and resid 113 and name HG2%) (( segid " " and resid 113 and name HB )) 2.100 0.500 0.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.93648E-02 ppm1 0.586 ppm2 1.504 CV 1 ASSI { 1804} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HA1 )) 3.100 1.200 1.200 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.25196E-02 ppm1 1.115 ppm2 3.803 CV 1 ASSI { 1807} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HB )) 2.200 0.600 0.600 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.90641E-02 ppm1 1.117 ppm2 2.003 CV 1 ASSI { 1812} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.000 0.500 0.500 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.18382E-01 ppm1 0.973 ppm2 1.975 CV 1 OR { 1812} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HG12)) OR { 1812} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HG11)) ASSI { 1813} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.100 3.100 2.900 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.26282E-02 ppm1 0.957 ppm2 8.194 CV 1 ASSI { 1814} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.53137E-02 ppm1 0.963 ppm2 3.485 CV 1 ASSI { 1821} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 122 and name HD% ) 3.600 3.600 2.400 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 -0.197 ppm2 6.773 CV 1 ASSI { 1825} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HA )) 2.900 1.000 1.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.36959E-02 ppm1 -0.198 ppm2 3.835 CV 1 ASSI { 1826} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HB )) 2.300 0.700 0.700 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.62512E-02 ppm1 -0.198 ppm2 1.947 CV 1 ASSI { 1828} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HG11)) 2.500 0.800 0.800 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.36928E-02 ppm1 -0.200 ppm2 1.123 CV 1 ASSI { 1829} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 119 and name HG2%) 2.300 2.300 3.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.15643E-01 ppm1 -0.199 ppm2 0.575 CV 1 ASSI { 1854} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 7 and name HB1 )) 3.100 1.200 1.200 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.31345E-02 ppm1 0.853 ppm2 2.770 CV 1 ASSI { 1856} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 135 and name HG11)) 2.100 0.600 0.600 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.11449E-01 ppm1 0.853 ppm2 1.361 CV 1 OR { 1856} ( segid " " and resid 135 and name HD1%) (( segid " " and resid 135 and name HG12)) ASSI { 1857} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HN )) 2.600 0.800 0.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.26976E-02 ppm1 0.575 ppm2 8.339 CV 1 ASSI { 1858} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 82 and name HE% ) 3.100 1.200 1.200 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 0.573 ppm2 6.492 CV 1 OR { 1858} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 82 and name HD% ) ASSI { 1861} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HB )) 2.100 0.500 0.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.10018E-01 ppm1 0.571 ppm2 1.799 CV 1 ASSI { 1867} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HA )) 3.300 1.300 1.300 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.34645E-02 ppm1 0.971 ppm2 4.039 CV 1 ASSI { 1869} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HB )) 2.800 0.900 0.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.46240E-02 ppm1 0.967 ppm2 1.979 CV 1 ASSI { 1875} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 94 and name HN )) 3.600 1.600 1.600 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 0.878 ppm2 8.439 CV 1 OR { 1875} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 94 and name HN )) ASSI { 1877} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 95 and name HA )) 2.900 1.000 1.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.22413E-02 ppm1 0.877 ppm2 3.465 CV 1 OR { 1877} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 95 and name HA )) ASSI { 1881} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 128 and name HN )) 3.400 3.400 2.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.14978E-02 ppm1 0.653 ppm2 8.860 CV 1 ASSI { 1886} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 130 and name HA )) 3.000 1.100 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.20143E-02 ppm1 0.652 ppm2 4.897 CV 1 ASSI { 1888} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 113 and name HB )) 2.600 0.800 0.800 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.37930E-02 ppm1 0.653 ppm2 1.535 CV 1 ASSI { 1889} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 113 and name HG11)) 2.300 0.600 0.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.63793E-02 ppm1 0.652 ppm2 1.264 CV 1 OR { 1889} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 113 and name HG12)) ASSI { 1903} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 42 and name HG11)) 2.300 0.700 0.700 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.56119E-02 ppm1 0.945 ppm2 1.673 CV 1 OR { 1903} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 42 and name HG12)) ASSI { 1913} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 72 and name HA1 )) 2.900 2.900 3.100 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.32499E-02 ppm1 0.780 ppm2 3.805 CV 1 ASSI { 1915} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 43 and name HB2 )) 3.100 3.100 2.900 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.34946E-02 ppm1 0.781 ppm2 1.976 CV 1 ASSI { 1916} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 38 and name HB1 )) 2.800 2.800 3.200 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.11934E-01 ppm1 0.777 ppm2 1.463 CV 1 OR { 1916} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 38 and name HB2 )) ASSI { 1937} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HG12)) 2.200 2.200 3.800 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.75451E-02 ppm1 0.583 ppm2 1.556 CV 1 ASSI { 1938} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HG11)) 2.500 2.500 3.500 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.98111E-02 ppm1 0.583 ppm2 1.114 CV 1 ASSI { 1941} (( segid " " and resid 85 and name HB )) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.38062E-02 ppm1 3.997 ppm2 9.805 CV 1 ASSI { 1942} (( segid " " and resid 85 and name HB )) (( segid " " and resid 70 and name HD21)) 2.400 0.700 0.700 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.36572E-02 ppm1 4.005 ppm2 7.311 CV 1 ASSI { 1943} (( segid " " and resid 85 and name HB )) (( segid " " and resid 84 and name HA )) 3.900 1.900 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.12704E-02 ppm1 4.002 ppm2 5.269 CV 1 ASSI { 1947} (( segid " " and resid 133 and name HB )) (( segid " " and resid 134 and name HN )) 2.300 0.600 0.600 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.68473E-02 ppm1 4.364 ppm2 7.804 CV 1 ASSI { 1948} (( segid " " and resid 133 and name HB )) ( segid " " and resid 133 and name HG2%) 2.200 0.600 0.600 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.95358E-02 ppm1 4.363 ppm2 1.248 CV 1 ASSI { 1949} (( segid " " and resid 133 and name HB )) (( segid " " and resid 133 and name HA )) 2.300 0.700 0.700 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.60937E-02 ppm1 4.357 ppm2 4.680 CV 1 ASSI { 1950} (( segid " " and resid 46 and name HB )) (( segid " " and resid 48 and name HN )) 3.400 1.400 1.400 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13985E-02 ppm1 4.353 ppm2 8.043 CV 1 ASSI { 1951} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.27131E-02 ppm1 4.347 ppm2 7.226 CV 1 ASSI { 1952} (( segid " " and resid 78 and name HB )) ( segid " " and resid 79 and name HB% ) 3.300 3.300 2.700 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 4.349 ppm2 1.653 CV 1 ASSI { 1953} (( segid " " and resid 46 and name HB )) (( segid " " and resid 43 and name HA )) 2.400 2.400 3.600 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.85221E-02 ppm1 4.345 ppm2 4.225 CV 1 ASSI { 1955} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.55698E-02 ppm1 4.349 ppm2 4.764 CV 1 ASSI { 1956} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 3.400 1.400 1.400 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.20922E-02 ppm1 4.374 ppm2 8.123 CV 1 ASSI { 1957} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.300 0.600 0.600 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.93694E-02 ppm1 4.375 ppm2 1.286 CV 1 ASSI { 1962} (( segid " " and resid 57 and name HB )) (( segid " " and resid 57 and name HN )) 2.500 0.800 0.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.34109E-02 ppm1 4.193 ppm2 8.325 CV 1 ASSI { 1965} (( segid " " and resid 142 and name HB )) (( segid " " and resid 143 and name HN )) 2.500 0.800 0.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.34424E-02 ppm1 4.114 ppm2 7.902 CV 1 ASSI { 1966} (( segid " " and resid 142 and name HB )) (( segid " " and resid 142 and name HN )) 2.300 0.600 0.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.56408E-02 ppm1 4.115 ppm2 7.170 CV 1 ASSI { 1967} (( segid " " and resid 142 and name HB )) ( segid " " and resid 142 and name HG2%) 2.200 0.600 0.600 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.81675E-02 ppm1 4.112 ppm2 1.215 CV 1 ASSI { 1971} (( segid " " and resid 41 and name HB )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 4.303 ppm2 7.560 CV 1 ASSI { 1973} (( segid " " and resid 41 and name HB )) (( segid " " and resid 41 and name HA )) 2.300 0.700 0.700 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.70601E-02 ppm1 4.297 ppm2 3.850 CV 1 ASSI { 1974} (( segid " " and resid 41 and name HB )) ( segid " " and resid 44 and name HD2%) 3.600 1.600 1.600 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.19215E-02 ppm1 4.297 ppm2 0.775 CV 1 OR { 1974} (( segid " " and resid 41 and name HB )) ( segid " " and resid 44 and name HD1%) ASSI { 1975} (( segid " " and resid 57 and name HB )) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.31414E-02 ppm1 4.193 ppm2 8.060 CV 1 ASSI { 1977} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.800 1.000 1.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.48440E-02 ppm1 4.012 ppm2 2.386 CV 1 ASSI { 1978} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) 2.600 0.900 0.900 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.33508E-02 ppm1 4.007 ppm2 1.996 CV 1 OR { 1978} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG1 )) ASSI { 1980} (( segid " " and resid 137 and name HA )) ( segid " " and resid 99 and name HG2%) 1.800 1.800 4.200 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.69126E-02 ppm1 4.010 ppm2 1.019 CV 1 ASSI { 1981} (( segid " " and resid 137 and name HA )) ( segid " " and resid 95 and name HG1%) 2.900 2.900 3.100 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 4.010 ppm2 0.873 CV 1 OR { 1981} (( segid " " and resid 137 and name HA )) ( segid " " and resid 95 and name HG2%) ASSI { 1983} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HN )) 2.800 0.900 0.900 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 4.079 ppm2 8.328 CV 1 ASSI { 1985} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HG2%) 2.400 0.700 0.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.79338E-02 ppm1 4.076 ppm2 1.194 CV 1 ASSI { 1986} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HN )) 3.200 1.300 1.300 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.14572E-02 ppm1 3.864 ppm2 7.999 CV 1 ASSI { 1988} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 3.859 ppm2 8.585 CV 1 ASSI { 1989} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 3.200 1.300 1.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 3.857 ppm2 7.560 CV 1 ASSI { 1992} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HG )) 2.700 0.900 0.900 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 3.860 ppm2 1.626 CV 1 ASSI { 1993} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HD2%) 2.600 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.59095E-02 ppm1 3.857 ppm2 0.775 CV 1 OR { 1993} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HD1%) ASSI { 1995} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.52447E-02 ppm1 4.016 ppm2 4.680 CV 1 OR { 1995} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) ASSI { 1999} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 2.800 1.000 1.000 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.16494E-02 ppm1 4.366 ppm2 8.060 CV 1 ASSI { 2000} (( segid " " and resid 22 and name HA )) ( segid " " and resid 82 and name HE% ) 2.800 2.800 3.200 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.24200E-02 ppm1 4.365 ppm2 6.535 CV 1 ASSI { 2001} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) 2.500 0.800 0.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.50084E-02 ppm1 4.364 ppm2 2.519 CV 1 ASSI { 2002} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB1 )) 2.300 0.700 0.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.34593E-02 ppm1 4.367 ppm2 0.997 CV 1 ASSI { 2005} (( segid " " and resid 56 and name HA )) (( segid " " and resid 151 and name HN )) 2.900 2.900 3.100 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.22232E-02 ppm1 4.346 ppm2 8.529 CV 1 ASSI { 2006} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB )) 2.400 0.700 0.700 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.52424E-02 ppm1 4.347 ppm2 4.143 CV 1 ASSI { 2007} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HG2%) 2.500 0.800 0.800 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.64311E-02 ppm1 4.345 ppm2 1.410 CV 1 ASSI { 2008} (( segid " " and resid 22 and name HA )) ( segid " " and resid 25 and name HG2%) 2.700 0.900 0.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.28913E-02 ppm1 4.347 ppm2 0.570 CV 1 ASSI { 2009} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 3.200 1.200 1.200 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.13588E-02 ppm1 4.340 ppm2 7.804 CV 1 ASSI { 2011} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HN )) 2.800 1.000 1.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 3.992 ppm2 7.179 CV 1 ASSI { 2013} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HN )) 3.200 1.300 1.300 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 4.266 ppm2 9.122 CV 1 ASSI { 2014} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.50932E-02 ppm1 4.268 ppm2 4.680 CV 1 ASSI { 2015} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB1 )) 1.700 0.400 0.500 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.12245E-01 ppm1 4.268 ppm2 3.811 CV 1 ASSI { 2016} (( segid " " and resid 104 and name HA )) (( segid " " and resid 103 and name HA1 )) 3.500 1.600 1.600 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 4.219 ppm2 3.948 CV 1 ASSI { 2018} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.200 1.300 1.300 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.18159E-02 ppm1 3.992 ppm2 7.658 CV 1 OR { 2018} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 2019} (( segid " " and resid 142 and name HA )) ( segid " " and resid 142 and name HG2%) 2.300 0.700 0.700 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.78321E-02 ppm1 3.990 ppm2 1.198 CV 1 ASSI { 2022} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.48677E-02 ppm1 3.831 ppm2 4.695 CV 1 ASSI { 2024} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 122 and name HB2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 3.834 ppm2 2.801 CV 1 ASSI { 2025} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 122 and name HB1 )) 3.000 1.100 1.100 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 3.831 ppm2 2.526 CV 1 ASSI { 2026} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HN )) 3.200 1.300 1.300 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 4.243 ppm2 7.951 CV 1 ASSI { 2027} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB )) 2.300 0.700 0.700 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.80681E-02 ppm1 4.238 ppm2 4.387 CV 1 ASSI { 2032} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 95 and name HA )) 3.500 1.500 1.500 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.20379E-02 ppm1 3.916 ppm2 3.460 CV 1 OR { 2032} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 95 and name HA )) ASSI { 2035} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 15 and name HA )) 2.200 2.200 3.800 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.21056E-02 ppm1 3.843 ppm2 3.509 CV 1 ASSI { 2037} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.36899E-02 ppm1 3.768 ppm2 4.485 CV 1 OR { 2037} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HA )) ASSI { 2038} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.300 1.400 1.400 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.22296E-02 ppm1 4.314 ppm2 8.378 CV 1 OR { 2038} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 2039} (( segid " " and resid 33 and name HA )) (( segid " " and resid 76 and name HD22)) 2.700 2.700 3.300 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.38211E-02 ppm1 4.304 ppm2 7.154 CV 1 ASSI { 2050} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HN )) 2.800 2.800 3.200 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.41015E-02 ppm1 4.016 ppm2 8.046 CV 1 ASSI { 2054} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.19305E-02 ppm1 3.941 ppm2 8.323 CV 1 OR { 2054} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 2058} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 97 and name HD1%) 3.600 1.600 1.600 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.15173E-02 ppm1 3.882 ppm2 1.019 CV 1 OR { 2058} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 97 and name HD2%) OR { 2058} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 97 and name HD1%) OR { 2058} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 97 and name HD2%) ASSI { 2060} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 23 and name HN )) 3.300 3.300 2.700 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.30953E-02 ppm1 4.020 ppm2 7.784 CV 1 ASSI { 2062} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 97 and name HG )) 3.200 1.300 1.300 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.27651E-02 ppm1 3.868 ppm2 1.796 CV 1 OR { 2062} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 97 and name HB2 )) OR { 2062} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 97 and name HG )) OR { 2062} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 97 and name HB1 )) OR { 2062} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 97 and name HB2 )) ASSI { 2065} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.19552E-02 ppm1 4.304 ppm2 8.775 CV 1 ASSI { 2069} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HA )) 3.900 3.900 2.100 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.13738E-02 ppm1 4.219 ppm2 4.534 CV 1 ASSI { 2073} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.30159E-02 ppm1 4.068 ppm2 4.655 CV 1 OR { 2073} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 7 and name HA )) ASSI { 2077} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.200 0.600 0.600 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.12640E-01 ppm1 4.063 ppm2 8.870 CV 1 ASSI { 2082} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.21640E-02 ppm1 4.015 ppm2 3.041 CV 1 ASSI { 2084} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.300 1.400 1.400 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 4.015 ppm2 7.350 CV 1 ASSI { 2085} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 2.800 1.000 1.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.21348E-02 ppm1 4.014 ppm2 6.987 CV 1 ASSI { 2086} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.500 3.500 2.500 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.25572E-02 ppm1 4.012 ppm2 8.399 CV 1 OR { 2086} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HN )) ASSI { 2087} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.41597E-02 ppm1 4.013 ppm2 7.549 CV 1 ASSI { 2088} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB )) 2.500 0.800 0.800 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.47572E-02 ppm1 4.012 ppm2 2.216 CV 1 ASSI { 2090} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name HD1%) 2.000 0.500 0.500 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.12503E-01 ppm1 4.012 ppm2 0.931 CV 1 ASSI { 2094} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HB2 )) 3.800 1.800 1.800 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.17776E-02 ppm1 4.289 ppm2 2.935 CV 1 ASSI { 2098} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB1 )) 2.500 2.500 3.500 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.26509E-02 ppm1 4.234 ppm2 2.175 CV 1 ASSI { 2108} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.100 0.600 0.600 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.13967E-01 ppm1 4.075 ppm2 3.852 CV 1 OR { 2108} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 2111} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HN )) 3.100 1.200 1.200 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.15960E-02 ppm1 3.907 ppm2 8.732 CV 1 OR { 2111} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HN )) ASSI { 2114} (( segid " " and resid 99 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.27924E-02 ppm1 4.291 ppm2 4.727 CV 1 OR { 2114} (( segid " " and resid 99 and name HA )) (( segid " " and resid 4 and name HB1 )) ASSI { 2115} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB )) 2.600 0.800 0.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.28565E-02 ppm1 4.291 ppm2 4.519 CV 1 ASSI { 2119} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HN )) 2.900 1.100 1.100 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 4.291 ppm2 6.815 CV 1 ASSI { 2124} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.29913E-02 ppm1 3.823 ppm2 1.699 CV 1 ASSI { 2125} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HD1 )) 3.400 1.500 1.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.28996E-02 ppm1 3.820 ppm2 1.552 CV 1 OR { 2125} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HD2 )) ASSI { 2126} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) 2.600 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.36730E-02 ppm1 3.821 ppm2 1.165 CV 1 OR { 2126} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG1 )) ASSI { 2127} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.600 0.800 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 3.824 ppm2 0.920 CV 1 ASSI { 2128} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB2 )) 3.200 1.300 1.300 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.12543E-02 ppm1 4.417 ppm2 3.946 CV 1 OR { 2128} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) ASSI { 2129} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HN )) 2.800 2.800 3.200 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.30228E-02 ppm1 3.967 ppm2 8.780 CV 1 ASSI { 2130} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.48196E-02 ppm1 3.968 ppm2 8.146 CV 1 ASSI { 2132} (( segid " " and resid 136 and name HA )) (( segid " " and resid 135 and name HB )) 1.900 1.900 4.100 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.39918E-02 ppm1 3.961 ppm2 1.703 CV 1 ASSI { 2134} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HN )) 2.000 0.500 0.500 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.94370E-02 ppm1 3.875 ppm2 8.390 CV 1 ASSI { 2135} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 3.877 ppm2 7.175 CV 1 ASSI { 2136} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB )) 2.700 0.900 0.900 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.16705E-02 ppm1 3.879 ppm2 1.925 CV 1 ASSI { 2139} (( segid " " and resid 119 and name HA )) ( segid " " and resid 119 and name HG2%) 2.700 0.900 0.900 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.86293E-02 ppm1 3.879 ppm2 0.568 CV 1 ASSI { 2143} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 3.000 1.100 1.100 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.25972E-02 ppm1 4.053 ppm2 2.472 CV 1 OR { 2143} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) ASSI { 2144} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.400 2.400 3.600 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.45953E-02 ppm1 4.053 ppm2 1.971 CV 1 ASSI { 2145} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.28816E-02 ppm1 3.974 ppm2 2.128 CV 1 ASSI { 2151} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 4.253 ppm2 7.670 CV 1 ASSI { 2153} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.700 0.900 0.900 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.21443E-02 ppm1 4.250 ppm2 2.625 CV 1 ASSI { 2154} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HG1 )) 3.300 1.400 1.400 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.26003E-02 ppm1 4.249 ppm2 2.278 CV 1 OR { 2154} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HG2 )) ASSI { 2155} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.800 0.900 0.900 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.27920E-02 ppm1 4.056 ppm2 8.139 CV 1 ASSI { 2156} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.300 0.700 0.700 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.73761E-02 ppm1 4.056 ppm2 2.148 CV 1 OR { 2156} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 2161} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG1 )) 3.000 1.100 1.100 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.31190E-02 ppm1 4.090 ppm2 2.636 CV 1 ASSI { 2162} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB1 )) 2.500 0.800 0.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.74296E-02 ppm1 4.090 ppm2 2.194 CV 1 ASSI { 2164} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HN )) 3.300 1.300 1.300 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 3.985 ppm2 8.778 CV 1 ASSI { 2167} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HG1 )) 2.700 0.900 0.900 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.46549E-02 ppm1 3.981 ppm2 2.291 CV 1 OR { 2167} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HG2 )) ASSI { 2168} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.800 1.000 1.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.41806E-02 ppm1 3.981 ppm2 1.835 CV 1 ASSI { 2169} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.19531E-02 ppm1 4.273 ppm2 8.823 CV 1 ASSI { 2172} (( segid " " and resid 35 and name HA )) ( segid " " and resid 29 and name HE% ) 2.900 1.100 1.100 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.21206E-02 ppm1 4.272 ppm2 6.687 CV 1 ASSI { 2173} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.900 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.26352E-02 ppm1 4.272 ppm2 2.684 CV 1 ASSI { 2174} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.600 0.900 0.900 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.19694E-02 ppm1 4.272 ppm2 2.434 CV 1 ASSI { 2176} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.31279E-02 ppm1 4.140 ppm2 8.625 CV 1 ASSI { 2177} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HE2 )) 3.000 1.100 1.100 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.17128E-02 ppm1 4.137 ppm2 3.170 CV 1 OR { 2177} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HE1 )) ASSI { 2179} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.46160E-02 ppm1 4.136 ppm2 2.692 CV 1 OR { 2179} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2181} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HN )) 3.200 1.300 1.300 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.14499E-02 ppm1 4.042 ppm2 7.026 CV 1 ASSI { 2183} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.600 0.800 0.800 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.49431E-02 ppm1 4.042 ppm2 3.863 CV 1 OR { 2183} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB1 )) ASSI { 2184} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) 3.000 1.100 1.100 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.19209E-02 ppm1 3.814 ppm2 8.035 CV 1 ASSI { 2185} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) 2.600 0.900 0.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 3.812 ppm2 1.895 CV 1 ASSI { 2186} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) 2.400 0.700 0.700 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.40643E-02 ppm1 3.814 ppm2 1.530 CV 1 ASSI { 2194} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) 3.000 1.100 1.100 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.19299E-02 ppm1 4.187 ppm2 2.317 CV 1 ASSI { 2197} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB1 )) 2.400 0.700 0.700 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.42476E-02 ppm1 4.188 ppm2 1.307 CV 1 ASSI { 2198} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD1%) 2.400 0.700 0.700 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.81223E-02 ppm1 4.189 ppm2 0.807 CV 1 OR { 2198} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD2%) ASSI { 2199} (( segid " " and resid 38 and name HA )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.20170E-02 ppm1 4.141 ppm2 8.599 CV 1 ASSI { 2202} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD1%) 3.400 1.400 1.400 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.58207E-02 ppm1 4.128 ppm2 0.767 CV 1 ASSI { 2203} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 2.900 2.900 3.100 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.51854E-02 ppm1 3.807 ppm2 8.890 CV 1 ASSI { 2206} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB2 )) 3.100 1.200 1.200 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.22258E-02 ppm1 3.808 ppm2 2.337 CV 1 ASSI { 2207} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HB1 )) 2.500 0.800 0.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.35347E-02 ppm1 3.808 ppm2 2.189 CV 1 ASSI { 2208} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 2.100 0.600 0.600 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.52118E-02 ppm1 3.743 ppm2 1.605 CV 1 ASSI { 2213} (( segid " " and resid 117 and name HA )) (( segid " " and resid 116 and name HB2 )) 3.300 3.300 2.700 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 4.316 ppm2 1.215 CV 1 ASSI { 2216} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HN )) 2.300 0.600 0.600 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.50597E-02 ppm1 3.950 ppm2 8.851 CV 1 ASSI { 2220} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB1 )) 2.700 0.900 0.900 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.33118E-02 ppm1 3.952 ppm2 1.732 CV 1 ASSI { 2221} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.900 1.000 1.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.19637E-02 ppm1 4.244 ppm2 7.007 CV 1 ASSI { 2223} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG )) 3.000 1.100 1.100 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.14801E-02 ppm1 4.240 ppm2 1.604 CV 1 ASSI { 2224} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.62478E-02 ppm1 4.244 ppm2 1.386 CV 1 ASSI { 2227} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HN )) 2.700 0.900 0.900 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.25468E-02 ppm1 4.111 ppm2 7.046 CV 1 ASSI { 2228} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.700 0.900 0.900 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.24074E-02 ppm1 4.110 ppm2 2.148 CV 1 OR { 2228} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) ASSI { 2229} (( segid " " and resid 100 and name HA )) ( segid " " and resid 100 and name HD1%) 2.800 1.000 1.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.68805E-02 ppm1 4.111 ppm2 0.960 CV 1 ASSI { 2230} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.23949E-02 ppm1 4.372 ppm2 8.035 CV 1 ASSI { 2231} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HN )) 3.100 1.200 1.200 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.14280E-02 ppm1 4.371 ppm2 9.540 CV 1 ASSI { 2235} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.800 1.000 1.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.25826E-02 ppm1 4.354 ppm2 8.281 CV 1 ASSI { 2236} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HN )) 3.300 1.300 1.300 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.13858E-02 ppm1 4.311 ppm2 8.061 CV 1 ASSI { 2239} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HD21)) 2.500 0.800 0.800 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.33445E-02 ppm1 4.297 ppm2 7.658 CV 1 ASSI { 2241} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 2.700 0.900 0.900 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.35318E-02 ppm1 4.297 ppm2 2.874 CV 1 ASSI { 2242} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HD22)) 3.800 1.800 1.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 4.291 ppm2 6.779 CV 1 ASSI { 2248} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 3.000 1.100 1.100 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 4.355 ppm2 7.407 CV 1 ASSI { 2249} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.66517E-02 ppm1 4.354 ppm2 2.348 CV 1 OR { 2249} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 2250} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.300 1.300 1.300 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.14361E-02 ppm1 4.274 ppm2 3.472 CV 1 ASSI { 2253} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HB )) 3.400 3.400 2.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.39632E-02 ppm1 4.276 ppm2 1.516 CV 1 ASSI { 2254} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.37165E-02 ppm1 4.197 ppm2 8.097 CV 1 ASSI { 2257} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HN )) 2.600 0.900 0.900 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 4.047 ppm2 9.561 CV 1 ASSI { 2260} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.200 1.300 1.300 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.13349E-02 ppm1 4.025 ppm2 8.145 CV 1 ASSI { 2262} (( segid " " and resid 98 and name HA )) (( segid " " and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.18487E-02 ppm1 4.026 ppm2 1.797 CV 1 OR { 2262} (( segid " " and resid 98 and name HA )) (( segid " " and resid 97 and name HB1 )) ASSI { 2263} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.31365E-02 ppm1 4.020 ppm2 8.586 CV 1 ASSI { 2266} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HN )) 3.200 1.300 1.300 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.15831E-02 ppm1 4.008 ppm2 8.292 CV 1 ASSI { 2267} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HN )) 2.700 0.900 0.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.31448E-02 ppm1 4.004 ppm2 7.999 CV 1 ASSI { 2268} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HB )) 2.700 2.700 3.300 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.33605E-02 ppm1 4.006 ppm2 2.099 CV 1 ASSI { 2269} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HN )) 2.600 0.800 0.800 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.21642E-02 ppm1 3.980 ppm2 9.366 CV 1 ASSI { 2271} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 2.500 0.800 0.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.57654E-02 ppm1 3.977 ppm2 1.068 CV 1 ASSI { 2274} (( segid " " and resid 141 and name HA )) (( segid " " and resid 144 and name HN )) 2.700 2.700 3.300 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.39076E-02 ppm1 3.766 ppm2 8.302 CV 1 ASSI { 2275} (( segid " " and resid 93 and name HA )) (( segid " " and resid 97 and name HN )) 3.100 1.200 1.200 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 3.766 ppm2 8.048 CV 1 ASSI { 2277} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HN )) 3.400 1.500 1.500 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 3.770 ppm2 7.190 CV 1 ASSI { 2278} (( segid " " and resid 141 and name HA )) ( segid " " and resid 141 and name HB% ) 2.200 0.600 0.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 3.766 ppm2 1.429 CV 1 ASSI { 2280} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HB% ) 2.200 0.600 0.600 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.93073E-02 ppm1 3.766 ppm2 0.542 CV 1 ASSI { 2281} (( segid " " and resid 93 and name HA )) (( segid " " and resid 90 and name HB1 )) 4.000 2.000 2.000 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.15752E-02 ppm1 3.766 ppm2 2.850 CV 1 ASSI { 2283} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 2.700 0.900 0.900 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.33639E-02 ppm1 4.067 ppm2 7.895 CV 1 ASSI { 2285} (( segid " " and resid 98 and name HA )) (( segid " " and resid 4 and name HB1 )) 3.400 3.400 2.600 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.13185E-02 ppm1 4.059 ppm2 4.729 CV 1 OR { 2285} (( segid " " and resid 98 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 2291} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 2.200 0.600 0.600 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.58058E-02 ppm1 4.201 ppm2 8.341 CV 1 ASSI { 2292} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB2 )) 2.700 0.900 0.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 4.192 ppm2 1.219 CV 1 ASSI { 2293} (( segid " " and resid 89 and name HA )) ( segid " " and resid 61 and name HG2%) 3.200 3.200 2.800 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 4.197 ppm2 0.884 CV 1 ASSI { 2294} (( segid " " and resid 89 and name HA )) ( segid " " and resid 89 and name HD2%) 2.700 0.900 0.900 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.43980E-02 ppm1 4.189 ppm2 0.280 CV 1 ASSI { 2306} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HN )) 2.200 0.600 0.600 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.73744E-02 ppm1 4.054 ppm2 8.097 CV 1 ASSI { 2321} (( segid " " and resid 73 and name HD2 )) (( segid " " and resid 73 and name HB1 )) 3.000 1.100 1.100 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.27696E-02 ppm1 4.059 ppm2 2.191 CV 1 OR { 2321} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 73 and name HB1 )) OR { 2321} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 73 and name HB2 )) OR { 2321} (( segid " " and resid 73 and name HD2 )) (( segid " " and resid 73 and name HB2 )) ASSI { 2322} (( segid " " and resid 73 and name HD2 )) (( segid " " and resid 38 and name HB2 )) 2.800 1.000 1.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 4.054 ppm2 1.459 CV 1 OR { 2322} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 38 and name HB2 )) OR { 2322} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 38 and name HB1 )) ASSI { 2327} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.20375E-02 ppm1 4.000 ppm2 7.999 CV 1 ASSI { 2329} (( segid " " and resid 81 and name HA1 )) ( segid " " and resid 35 and name HD% ) 3.600 1.600 1.600 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.16564E-02 ppm1 3.995 ppm2 6.193 CV 1 ASSI { 2330} (( segid " " and resid 81 and name HA1 )) (( segid " " and resid 81 and name HA2 )) 1.800 0.400 0.400 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.10137E-01 ppm1 3.994 ppm2 4.485 CV 1 ASSI { 2333} (( segid " " and resid 108 and name HA2 )) (( segid " " and resid 108 and name HA1 )) 1.900 0.400 0.400 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.71598E-02 ppm1 4.232 ppm2 3.997 CV 1 ASSI { 2334} (( segid " " and resid 110 and name HA1 )) (( segid " " and resid 130 and name HA )) 3.700 1.700 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 4.117 ppm2 4.896 CV 1 ASSI { 2337} (( segid " " and resid 110 and name HA1 )) (( segid " " and resid 111 and name HN )) 3.100 1.200 1.200 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.26749E-02 ppm1 4.114 ppm2 8.878 CV 1 ASSI { 2339} (( segid " " and resid 110 and name HA1 )) ( segid " " and resid 111 and name HG1%) 4.100 2.100 1.900 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.12535E-02 ppm1 4.115 ppm2 0.824 CV 1 ASSI { 2340} (( segid " " and resid 110 and name HA1 )) ( segid " " and resid 113 and name HD1%) 2.600 2.600 3.400 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.39746E-02 ppm1 4.114 ppm2 0.629 CV 1 ASSI { 2341} (( segid " " and resid 108 and name HA1 )) ( segid " " and resid 109 and name HD% ) 4.200 2.200 1.800 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.12380E-02 ppm1 4.030 ppm2 7.050 CV 1 ASSI { 2345} (( segid " " and resid 27 and name HA1 )) ( segid " " and resid 30 and name HD1%) 3.200 1.300 1.300 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 3.957 ppm2 0.950 CV 1 OR { 2345} (( segid " " and resid 27 and name HA2 )) ( segid " " and resid 30 and name HD1%) ASSI { 2346} (( segid " " and resid 115 and name HA2 )) (( segid " " and resid 116 and name HN )) 2.800 1.000 1.000 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.14552E-02 ppm1 3.907 ppm2 10.644 CV 1 ASSI { 2348} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 115 and name HN )) 3.000 1.100 1.100 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.22153E-02 ppm1 3.759 ppm2 8.773 CV 1 ASSI { 2349} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 115 and name HA2 )) 1.700 0.400 0.500 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.11124E-01 ppm1 3.758 ppm2 3.899 CV 1 ASSI { 2350} (( segid " " and resid 115 and name HA1 )) (( segid " " and resid 116 and name HN )) 3.700 1.700 1.700 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 3.772 ppm2 10.683 CV 1 ASSI { 2351} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.35951E-02 ppm1 4.207 ppm2 8.634 CV 1 ASSI { 2352} (( segid " " and resid 103 and name HA2 )) (( segid " " and resid 103 and name HA1 )) 1.800 0.400 0.400 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.10187E-01 ppm1 4.206 ppm2 3.899 CV 1 ASSI { 2359} (( segid " " and resid 31 and name HA1 )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.47371E-02 ppm1 3.810 ppm2 8.878 CV 1 ASSI { 2364} (( segid " " and resid 123 and name HA1 )) (( segid " " and resid 123 and name HA2 )) 1.800 0.400 0.400 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.10894E-01 ppm1 3.781 ppm2 4.719 CV 1 ASSI { 2365} (( segid " " and resid 37 and name HA2 )) (( segid " " and resid 37 and name HN )) 3.000 1.100 1.100 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.23968E-02 ppm1 4.305 ppm2 8.976 CV 1 ASSI { 2367} (( segid " " and resid 72 and name HA2 )) (( segid " " and resid 72 and name HN )) 2.900 1.100 1.100 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.15356E-02 ppm1 4.061 ppm2 6.654 CV 1 ASSI { 2369} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HA2 )) 1.800 0.400 0.400 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 3.915 ppm2 4.485 CV 1 ASSI { 2375} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.28538E-02 ppm1 3.744 ppm2 4.631 CV 1 ASSI { 2376} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HB1 )) 1.800 0.400 0.400 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.82603E-02 ppm1 3.744 ppm2 2.776 CV 1 ASSI { 2377} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 53 and name HD% ) 2.800 1.000 1.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 3.834 ppm2 6.824 CV 1 ASSI { 2397} (( segid " " and resid 85 and name HB )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.11246E-02 ppm1 4.001 ppm2 5.671 CV 1 ASSI { 2399} (( segid " " and resid 85 and name HB )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.95118E-03 ppm1 3.999 ppm2 9.525 CV 1 ASSI { 2401} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HA )) 2.900 1.000 1.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.10899E-02 ppm1 3.017 ppm2 5.093 CV 1 ASSI { 2404} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 32 and name HB1 )) 3.600 1.600 1.600 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.10067E-02 ppm1 7.331 ppm2 2.479 CV 1 ASSI { 2405} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 32 and name HG2 )) 3.200 1.300 1.300 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 7.330 ppm2 2.266 CV 1 OR { 2405} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 32 and name HG1 )) ASSI { 2407} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.500 1.600 1.600 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.10310E-02 ppm1 7.330 ppm2 0.790 CV 1 ASSI { 2409} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 28 and name HB1 )) 3.500 1.600 1.600 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.97770E-03 ppm1 6.703 ppm2 1.318 CV 1 ASSI { 2411} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 32 and name HB2 )) 4.300 2.400 1.700 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.72051E-03 ppm1 6.703 ppm2 2.163 CV 1 ASSI { 2414} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HA )) 4.100 2.100 1.900 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.90260E-03 ppm1 6.843 ppm2 4.253 CV 1 ASSI { 2419} ( segid " " and resid 53 and name HD% ) (( segid " " and resid 50 and name HD2 )) 3.300 1.300 1.300 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.82463E-03 ppm1 6.838 ppm2 3.683 CV 1 ASSI { 2420} ( segid " " and resid 53 and name HD% ) (( segid " " and resid 50 and name HB2 )) 3.000 1.100 1.100 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 6.837 ppm2 2.393 CV 1 ASSI { 2422} ( segid " " and resid 53 and name HD% ) (( segid " " and resid 50 and name HG1 )) 4.700 2.700 1.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.60407E-03 ppm1 6.835 ppm2 2.037 CV 1 ASSI { 2425} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 85 and name HB )) 3.700 1.700 1.700 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.89363E-03 ppm1 6.554 ppm2 3.980 CV 1 ASSI { 2426} ( segid " " and resid 53 and name HE% ) (( segid " " and resid 115 and name HA1 )) 4.800 2.800 1.200 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.74282E-03 ppm1 6.554 ppm2 3.773 CV 1 ASSI { 2430} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.24611E-02 ppm1 4.955 ppm2 7.408 CV 1 ASSI { 2431} (( segid " " and resid 53 and name HA )) ( segid " " and resid 53 and name HD% ) 2.200 0.600 0.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.49216E-02 ppm1 4.951 ppm2 6.806 CV 1 ASSI { 2432} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.44650E-02 ppm1 4.951 ppm2 3.812 CV 1 ASSI { 2438} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 85 and name HN )) 3.400 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.59559E-03 ppm1 6.767 ppm2 9.829 CV 1 ASSI { 2440} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 84 and name HA )) 3.600 1.700 1.700 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.66124E-03 ppm1 6.771 ppm2 5.274 CV 1 ASSI { 2443} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 85 and name HB )) 3.300 1.300 1.300 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 6.419 ppm2 4.005 CV 1 ASSI { 2444} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 117 and name HA )) 3.600 1.600 1.600 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.86897E-03 ppm1 6.417 ppm2 4.294 CV 1 ASSI { 2445} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 71 and name HA )) 4.100 2.100 1.900 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.64231E-03 ppm1 6.419 ppm2 5.254 CV 1 ASSI { 2447} ( segid " " and resid 83 and name HE% ) (( segid " " and resid 70 and name HD21)) 3.400 1.400 1.400 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.74294E-03 ppm1 6.422 ppm2 7.319 CV 1 ASSI { 2449} (( segid " " and resid 151 and name HA )) (( segid " " and resid 112 and name HD21)) 4.100 2.100 1.900 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.90162E-03 ppm1 5.500 ppm2 7.572 CV 1 ASSI { 2450} (( segid " " and resid 83 and name HA )) (( segid " " and resid 156 and name HA )) 2.800 2.800 3.200 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.23632E-02 ppm1 5.496 ppm2 4.178 CV 1 ASSI { 2452} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 84 and name HN )) 3.400 1.400 1.400 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.98145E-03 ppm1 2.326 ppm2 8.340 CV 1 ASSI { 2454} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HN )) 3.300 1.300 1.300 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.58376E-03 ppm1 2.161 ppm2 9.017 CV 1 ASSI { 2455} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 84 and name HN )) 4.300 2.300 1.700 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.10579E-02 ppm1 2.159 ppm2 8.376 CV 1 ASSI { 2456} ( segid " " and resid 82 and name HD% ) ( segid " " and resid 35 and name HD% ) 2.600 2.600 3.400 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.73111E-03 ppm1 6.459 ppm2 6.153 CV 1 ASSI { 2458} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD% ) 3.100 1.200 1.200 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.95742E-03 ppm1 2.636 ppm2 6.443 CV 1 ASSI { 2460} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD% ) 3.200 1.300 1.300 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 1.844 ppm2 6.431 CV 1 ASSI { 2465} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 97 and name HB1 )) 3.900 1.900 1.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.60716E-03 ppm1 7.062 ppm2 1.752 CV 1 OR { 2465} ( segid " " and resid 109 and name HD% ) (( segid " " and resid 97 and name HB2 )) ASSI { 2467} ( segid " " and resid 109 and name HE% ) ( segid " " and resid 153 and name HG2%) 3.400 1.400 1.400 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 6.862 ppm2 1.088 CV 1 OR { 2467} ( segid " " and resid 109 and name HE% ) ( segid " " and resid 153 and name HG1%) ASSI { 2474} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HN )) 3.400 1.500 1.500 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.79003E-03 ppm1 3.073 ppm2 8.759 CV 1 ASSI { 2475} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 110 and name HN )) 4.100 2.100 1.900 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.75216E-03 ppm1 2.804 ppm2 9.471 CV 1 ASSI { 2476} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HN )) 3.000 1.100 1.100 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.10670E-02 ppm1 2.798 ppm2 8.748 CV 1 ASSI { 2483} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HA )) 2.900 1.000 1.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.11299E-02 ppm1 2.612 ppm2 4.525 CV 1 ASSI { 2486} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 65 and name HB1 )) 4.900 3.000 1.100 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.50293E-03 ppm1 7.163 ppm2 2.814 CV 1 ASSI { 2487} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 65 and name HB2 )) 4.800 2.900 1.200 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.61564E-03 ppm1 7.158 ppm2 3.748 CV 1 ASSI { 2488} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.51900E-03 ppm1 7.166 ppm2 4.322 CV 1 ASSI { 2489} ( segid " " and resid 65 and name HE% ) (( segid " " and resid 65 and name HN )) 4.200 2.200 1.800 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.46856E-03 ppm1 7.166 ppm2 8.093 CV 1 ASSI { 2490} ( segid " " and resid 65 and name HD% ) (( segid " " and resid 65 and name HA )) 4.100 2.100 1.900 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.85267E-03 ppm1 7.087 ppm2 4.629 CV 1 ASSI { 2497} ( segid " " and resid 80 and name HD% ) ( segid " " and resid 156 and name HD% ) 3.600 1.600 1.600 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.79040E-03 ppm1 6.133 ppm2 6.777 CV 1 ASSI { 2499} ( segid " " and resid 80 and name HD% ) (( segid " " and resid 80 and name HB2 )) 2.800 1.000 1.000 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.11734E-02 ppm1 6.128 ppm2 3.535 CV 1 ASSI { 2500} ( segid " " and resid 80 and name HD% ) (( segid " " and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.95017E-03 ppm1 6.128 ppm2 2.768 CV 1 ASSI { 2501} ( segid " " and resid 80 and name HD% ) (( segid " " and resid 156 and name HB2 )) 3.700 1.700 1.700 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 6.130 ppm2 2.337 CV 1 ASSI { 2502} ( segid " " and resid 80 and name HD% ) (( segid " " and resid 156 and name HB1 )) 3.100 1.200 1.200 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.97100E-03 ppm1 6.131 ppm2 1.862 CV 1 ASSI { 2503} ( segid " " and resid 80 and name HD% ) (( segid " " and resid 107 and name HB2 )) 3.700 1.700 1.700 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.65935E-03 ppm1 6.126 ppm2 1.069 CV 1 ASSI { 2504} ( segid " " and resid 80 and name HD% ) ( segid " " and resid 119 and name HG2%) 4.000 2.000 2.000 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.56669E-03 ppm1 6.128 ppm2 0.563 CV 1 ASSI { 2508} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 80 and name HB2 )) 4.500 2.500 1.500 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.61304E-03 ppm1 6.370 ppm2 3.562 CV 1 ASSI { 2510} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 156 and name HB1 )) 3.600 1.700 1.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.83709E-03 ppm1 6.374 ppm2 1.860 CV 1 ASSI { 2511} ( segid " " and resid 80 and name HE% ) (( segid " " and resid 107 and name HB1 )) 3.100 1.200 1.200 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.12084E-02 ppm1 6.374 ppm2 1.030 CV 1 ASSI { 2514} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.600 0.900 0.900 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.44238E-02 ppm1 4.551 ppm2 3.571 CV 1 ASSI { 2519} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 2.600 0.800 0.800 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.32877E-02 ppm1 4.554 ppm2 8.785 CV 1 ASSI { 2520} (( segid " " and resid 80 and name HA )) (( segid " " and resid 82 and name HN )) 3.800 1.800 1.800 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.20536E-02 ppm1 4.558 ppm2 8.020 CV 1 ASSI { 2522} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 119 and name HG12)) 3.900 1.900 1.900 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.66273E-03 ppm1 6.772 ppm2 1.606 CV 1 ASSI { 2524} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 132 and name HA )) 3.400 1.500 1.500 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.13528E-02 ppm1 6.774 ppm2 4.649 CV 1 ASSI { 2526} (( segid " " and resid 122 and name HZ )) ( segid " " and resid 122 and name HD% ) 3.100 1.200 1.200 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.46621E-02 ppm1 6.664 ppm2 6.774 CV 1 ASSI { 2527} (( segid " " and resid 122 and name HZ )) (( segid " " and resid 119 and name HG12)) 3.100 3.100 2.900 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 6.661 ppm2 1.554 CV 1 ASSI { 2529} ( segid " " and resid 156 and name HD% ) ( segid " " and resid 119 and name HD1%) 2.600 2.600 3.400 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.63569E-03 ppm1 6.804 ppm2 -0.197 CV 1 ASSI { 2530} ( segid " " and resid 156 and name HD% ) ( segid " " and resid 62 and name HG2%) 2.500 2.500 3.500 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.84918E-03 ppm1 6.803 ppm2 0.008 CV 1 ASSI { 2538} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 119 and name HB )) 3.600 1.700 1.700 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.58551E-03 ppm1 7.656 ppm2 1.922 CV 1 ASSI { 2540} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 74 and name HA )) 3.900 1.900 1.900 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.78579E-03 ppm1 7.647 ppm2 3.847 CV 1 ASSI { 2541} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 117 and name HA )) 3.400 1.500 1.500 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.92938E-03 ppm1 7.657 ppm2 4.280 CV 1 ASSI { 2542} ( segid " " and resid 156 and name HE% ) (( segid " " and resid 156 and name HZ )) 3.100 1.200 1.200 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.86324E-03 ppm1 7.650 ppm2 7.146 CV 1 ASSI { 2544} (( segid " " and resid 156 and name HZ )) ( segid " " and resid 119 and name HG2%) 2.500 2.500 3.500 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.93161E-03 ppm1 7.152 ppm2 0.546 CV 1 ASSI { 2550} (( segid " " and resid 156 and name HB1 )) ( segid " " and resid 156 and name HD% ) 3.500 1.500 1.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.53395E-03 ppm1 1.869 ppm2 6.789 CV 1 ASSI { 2554} (( segid " " and resid 156 and name HB2 )) ( segid " " and resid 80 and name HE% ) 3.700 1.700 1.700 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.50505E-03 ppm1 2.365 ppm2 6.360 CV 1 ASSI { 2555} (( segid " " and resid 156 and name HB2 )) ( segid " " and resid 156 and name HD% ) 3.300 1.300 1.300 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.58863E-03 ppm1 2.367 ppm2 6.796 CV 1 ASSI { 2557} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 107 and name HB2 )) 4.000 2.000 2.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.73747E-03 ppm1 2.360 ppm2 1.073 CV 1 ASSI { 2558} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 107 and name HB2 )) 2.800 0.900 0.900 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.87060E-03 ppm1 1.866 ppm2 1.039 CV 1 OR { 2558} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 107 and name HB1 )) ASSI { 2559} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 32 and name HE22)) 4.300 2.300 1.700 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.14256E-02 ppm1 2.915 ppm2 6.961 CV 1 ASSI { 2561} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HA )) 3.300 1.400 1.400 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 2.150 ppm2 4.680 CV 1 OR { 2561} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 9 and name HA )) ASSI { 2563} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HN )) 4.000 2.000 2.000 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.85081E-03 ppm1 1.667 ppm2 8.164 CV 1 ASSI { 2565} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HA )) 3.900 1.900 1.900 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.61713E-03 ppm1 1.662 ppm2 3.484 CV 1 ASSI { 2569} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 30 and name HG11)) 4.300 2.300 1.700 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.68639E-03 ppm1 7.333 ppm2 1.737 CV 1 OR { 2569} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 30 and name HG12)) ASSI { 2571} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 29 and name HD% ) 3.300 1.400 1.400 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.97484E-03 ppm1 6.181 ppm2 7.332 CV 1 ASSI { 2572} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.700 3.700 2.300 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.66124E-03 ppm1 6.176 ppm2 0.775 CV 1 ASSI { 2573} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HB2 )) 4.400 2.500 1.600 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.66124E-03 ppm1 6.178 ppm2 1.458 CV 1 OR { 2573} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HB1 )) ASSI { 2574} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 82 and name HB1 )) 3.500 1.600 1.600 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.56334E-03 ppm1 6.176 ppm2 1.849 CV 1 ASSI { 2575} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.900 1.000 1.000 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 5.683 ppm2 9.804 CV 1 ASSI { 2576} (( segid " " and resid 85 and name HA )) (( segid " " and resid 70 and name HD21)) 4.000 2.000 2.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.85788E-03 ppm1 5.677 ppm2 7.316 CV 1 ASSI { 2577} (( segid " " and resid 85 and name HA )) ( segid " " and resid 83 and name HD% ) 3.400 1.500 1.500 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.68215E-03 ppm1 5.694 ppm2 6.770 CV 1 ASSI { 2582} (( segid " " and resid 85 and name HA )) (( segid " " and resid 60 and name HD1 )) 3.400 1.500 1.500 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 5.684 ppm2 0.545 CV 1 ASSI { 2583} (( segid " " and resid 154 and name HB )) (( segid " " and resid 62 and name HN )) 2.900 1.100 1.100 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.54418E-02 ppm1 4.561 ppm2 8.849 CV 1 ASSI { 2584} (( segid " " and resid 154 and name HB )) (( segid " " and resid 154 and name HA )) 2.300 0.600 0.600 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.34461E-02 ppm1 4.564 ppm2 5.233 CV 1 ASSI { 2585} (( segid " " and resid 154 and name HB )) ( segid " " and resid 154 and name HG2%) 2.300 0.600 0.600 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.63544E-02 ppm1 4.564 ppm2 1.202 CV 1 ASSI { 2586} (( segid " " and resid 22 and name HB )) (( segid " " and resid 22 and name HN )) 3.200 1.300 1.300 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 4.138 ppm2 8.349 CV 1 ASSI { 2587} (( segid " " and resid 99 and name HB )) ( segid " " and resid 99 and name HG2%) 1.900 1.900 4.100 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.17666E-01 ppm1 4.519 ppm2 1.022 CV 1 ASSI { 2591} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG2%) 2.100 0.600 0.600 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.12701E-01 ppm1 4.415 ppm2 1.315 CV 1 ASSI { 2593} (( segid " " and resid 56 and name HB )) (( segid " " and resid 56 and name HN )) 3.300 1.400 1.400 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.17762E-02 ppm1 4.407 ppm2 8.457 CV 1 ASSI { 2594} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HN )) 3.400 1.500 1.500 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.96014E-03 ppm1 4.077 ppm2 8.072 CV 1 ASSI { 2595} (( segid " " and resid 62 and name HB )) (( segid " " and resid 154 and name HN )) 4.400 2.400 1.600 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.64878E-03 ppm1 3.025 ppm2 9.459 CV 1 ASSI { 2598} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG2 )) 3.500 1.500 1.500 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.27271E-02 ppm1 4.397 ppm2 2.060 CV 1 ASSI { 2601} (( segid " " and resid 85 and name HB )) (( segid " " and resid 70 and name HD22)) 4.100 2.100 1.900 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.99042E-03 ppm1 4.003 ppm2 7.126 CV 1 ASSI { 2603} (( segid " " and resid 104 and name HA )) (( segid " " and resid 103 and name HN )) 3.900 1.900 1.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.10662E-02 ppm1 4.239 ppm2 8.661 CV 1 ASSI { 2604} (( segid " " and resid 104 and name HA )) (( segid " " and resid 106 and name HN )) 3.800 1.800 1.800 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.85803E-03 ppm1 4.240 ppm2 7.267 CV 1 ASSI { 2608} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HN )) 2.700 0.900 0.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 4.488 ppm2 8.382 CV 1 ASSI { 2609} (( segid " " and resid 142 and name HA )) ( segid " " and resid 143 and name HB% ) 2.900 2.900 3.100 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.78321E-02 ppm1 3.990 ppm2 1.300 CV 1 ASSI { 2610} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HN )) 3.500 1.500 1.500 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.94247E-03 ppm1 3.991 ppm2 7.892 CV 1 ASSI { 2612} (( segid " " and resid 150 and name HA )) ( segid " " and resid 150 and name HG2%) 2.600 0.800 0.800 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.41557E-02 ppm1 4.550 ppm2 1.024 CV 1 ASSI { 2613} (( segid " " and resid 150 and name HA )) (( segid " " and resid 54 and name HB2 )) 3.100 3.100 2.900 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.25366E-02 ppm1 4.558 ppm2 2.147 CV 1 ASSI { 2614} (( segid " " and resid 150 and name HA )) (( segid " " and resid 149 and name HB1 )) 2.700 2.700 3.300 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.42496E-02 ppm1 4.554 ppm2 3.944 CV 1 OR { 2614} (( segid " " and resid 150 and name HA )) (( segid " " and resid 149 and name HB2 )) ASSI { 2616} (( segid " " and resid 67 and name HA2 )) (( segid " " and resid 88 and name HB1 )) 3.900 1.900 1.900 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.34052E-02 ppm1 4.407 ppm2 1.752 CV 1 ASSI { 2617} (( segid " " and resid 67 and name HA2 )) (( segid " " and resid 67 and name HA1 )) 1.800 0.400 0.400 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.74537E-02 ppm1 4.412 ppm2 3.881 CV 1 ASSI { 2619} (( segid " " and resid 37 and name HA2 )) (( segid " " and resid 37 and name HA1 )) 2.300 0.700 0.700 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.27121E-02 ppm1 4.303 ppm2 3.688 CV 1 ASSI { 2620} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HB2 )) 1.800 0.400 0.400 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.10046E-01 ppm1 3.538 ppm2 3.736 CV 1 ASSI { 2621} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.36372E-02 ppm1 3.635 ppm2 4.550 CV 1 OR { 2621} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HA )) ASSI { 2624} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HG2%) 3.500 1.500 1.500 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 3.640 ppm2 0.616 CV 1 ASSI { 2625} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HD1%) 2.400 2.400 3.600 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.53942E-02 ppm1 3.642 ppm2 0.817 CV 1 ASSI { 2628} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HD1 )) 3.900 1.900 1.900 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.92551E-03 ppm1 3.642 ppm2 2.305 CV 1 OR { 2628} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HD2 )) ASSI { 2631} (( segid " " and resid 135 and name HA )) (( segid " " and resid 101 and name HB2 )) 3.300 3.300 2.700 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 3.642 ppm2 3.083 CV 1 ASSI { 2632} (( segid " " and resid 135 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.800 2.800 3.200 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.38772E-02 ppm1 3.640 ppm2 1.830 CV 1 ASSI { 2635} (( segid " " and resid 135 and name HA )) (( segid " " and resid 4 and name HB2 )) 3.000 1.200 1.200 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 3.646 ppm2 4.726 CV 1 OR { 2635} (( segid " " and resid 135 and name HA )) (( segid " " and resid 4 and name HB1 )) ASSI { 2636} (( segid " " and resid 135 and name HA )) (( segid " " and resid 100 and name HN )) 3.200 1.300 1.300 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.79773E-03 ppm1 3.646 ppm2 7.067 CV 1 ASSI { 2639} (( segid " " and resid 96 and name HB1 )) ( segid " " and resid 93 and name HB% ) 4.100 2.100 1.900 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.85130E-03 ppm1 3.882 ppm2 0.531 CV 1 OR { 2639} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 93 and name HB% ) ASSI { 2641} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HG2 )) 3.800 1.800 1.800 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.92614E-03 ppm1 4.234 ppm2 2.746 CV 1 ASSI { 2645} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB1 )) 2.800 1.000 1.000 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.36163E-02 ppm1 4.388 ppm2 3.858 CV 1 ASSI { 2646} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HN )) 3.300 1.400 1.400 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 4.384 ppm2 7.253 CV 1 ASSI { 2647} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HN )) 2.800 1.000 1.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.26723E-02 ppm1 4.387 ppm2 7.943 CV 1 ASSI { 2655} (( segid " " and resid 111 and name HA )) (( segid " " and resid 153 and name HA )) 2.100 0.600 0.600 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.38116E-02 ppm1 4.780 ppm2 5.206 CV 1 ASSI { 2656} (( segid " " and resid 6 and name HA )) (( segid " " and resid 8 and name HB1 )) 2.800 2.800 3.200 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.96642E-02 ppm1 4.423 ppm2 3.940 CV 1 ASSI { 2657} (( segid " " and resid 6 and name HA )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.36945E-02 ppm1 4.425 ppm2 8.336 CV 1 ASSI { 2659} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB1 )) 2.900 1.000 1.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.21396E-02 ppm1 3.632 ppm2 0.922 CV 1 ASSI { 2660} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) 2.600 0.800 0.800 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.40966E-02 ppm1 3.632 ppm2 1.166 CV 1 ASSI { 2664} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HN )) 3.300 1.300 1.300 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.97509E-03 ppm1 3.639 ppm2 7.149 CV 1 ASSI { 2665} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HN )) 2.900 1.100 1.100 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 3.636 ppm2 10.642 CV 1 ASSI { 2666} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 29 and name HE% ) 3.700 1.700 1.700 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.77820E-03 ppm1 1.915 ppm2 6.703 CV 1 ASSI { 2670} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) 3.800 1.800 1.800 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.83586E-03 ppm1 1.333 ppm2 7.685 CV 1 ASSI { 2671} ( segid " " and resid 28 and name HD2%) ( segid " " and resid 29 and name HE% ) 2.400 2.400 3.600 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 0.803 ppm2 6.684 CV 1 ASSI { 2672} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HN )) 3.200 1.300 1.300 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.11749E-02 ppm1 0.634 ppm2 8.250 CV 1 ASSI { 2676} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 0.797 ppm2 7.926 CV 1 ASSI { 2677} (( segid " " and resid 43 and name HG )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.83399E-03 ppm1 1.643 ppm2 7.359 CV 1 ASSI { 2684} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HA )) 3.700 1.700 1.700 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 1.069 ppm2 5.608 CV 1 ASSI { 2685} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 69 and name HA )) 3.500 1.600 1.600 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.48697E-03 ppm1 1.069 ppm2 5.266 CV 1 ASSI { 2688} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HN )) 4.200 2.200 1.800 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.73832E-03 ppm1 1.069 ppm2 9.171 CV 1 ASSI { 2689} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 64 and name HD2 )) 3.400 1.500 1.500 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.93774E-03 ppm1 1.067 ppm2 3.010 CV 1 ASSI { 2691} (( segid " " and resid 116 and name HB2 )) ( segid " " and resid 62 and name HG2%) 3.700 1.700 1.700 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.78043E-03 ppm1 1.200 ppm2 0.012 CV 1 ASSI { 2692} (( segid " " and resid 113 and name HG12)) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.14094E-02 ppm1 1.295 ppm2 3.727 CV 1 OR { 2692} (( segid " " and resid 113 and name HG11)) (( segid " " and resid 113 and name HA )) ASSI { 2695} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 85 and name HB )) 4.200 2.200 1.800 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.53220E-03 ppm1 0.914 ppm2 3.976 CV 1 OR { 2695} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 85 and name HB )) ASSI { 2697} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 84 and name HN )) 3.900 1.900 1.900 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.11630E-02 ppm1 0.917 ppm2 8.363 CV 1 OR { 2697} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 84 and name HN )) ASSI { 2698} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 85 and name HN )) 4.900 3.000 1.100 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.54950E-03 ppm1 0.915 ppm2 9.811 CV 1 OR { 2698} ( segid " " and resid 84 and name HD1%) (( segid " " and resid 85 and name HN )) ASSI { 2701} (( segid " " and resid 107 and name HD2 )) ( segid " " and resid 156 and name HD% ) 3.400 1.400 1.400 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.91918E-03 ppm1 1.527 ppm2 6.828 CV 1 OR { 2701} (( segid " " and resid 107 and name HD1 )) ( segid " " and resid 156 and name HD% ) ASSI { 2702} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HN )) 3.200 1.200 1.200 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.10080E-02 ppm1 1.501 ppm2 8.277 CV 1 ASSI { 2706} ( segid " " and resid 38 and name HD2%) ( segid " " and resid 29 and name HE% ) 3.300 1.400 1.400 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.11861E-02 ppm1 0.182 ppm2 6.680 CV 1 ASSI { 2707} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 35 and name HB1 )) 2.600 2.600 3.400 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.74093E-03 ppm1 0.173 ppm2 2.435 CV 1 ASSI { 2711} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 73 and name HG1 )) 2.700 2.700 3.300 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.49932E-03 ppm1 0.182 ppm2 3.763 CV 1 ASSI { 2719} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HA )) 3.500 1.600 1.600 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.89065E-03 ppm1 0.568 ppm2 4.171 CV 1 ASSI { 2722} ( segid " " and resid 102 and name HD1%) ( segid " " and resid 109 and name HE% ) 3.600 1.600 1.600 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.11197E-02 ppm1 0.553 ppm2 6.860 CV 1 ASSI { 2726} ( segid " " and resid 84 and name HD2%) (( segid " " and resid 72 and name HN )) 3.800 1.800 1.800 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.68402E-03 ppm1 0.933 ppm2 6.651 CV 1 ASSI { 2729} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.98183E-03 ppm1 0.704 ppm2 8.242 CV 1 ASSI { 2732} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.71779E-03 ppm1 0.703 ppm2 9.512 CV 1 ASSI { 2734} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 73 and name HG2 )) 3.000 3.000 3.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.60524E-02 ppm1 0.788 ppm2 3.741 CV 1 OR { 2734} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 73 and name HG1 )) ASSI { 2736} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 3.400 3.400 2.600 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 0.788 ppm2 4.274 CV 1 ASSI { 2741} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 41 and name HN )) 4.500 2.600 1.500 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.60393E-03 ppm1 0.784 ppm2 8.584 CV 1 ASSI { 2746} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 4 and name HB1 )) 4.300 2.300 1.700 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.56993E-03 ppm1 2.404 ppm2 4.709 CV 1 OR { 2746} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 4 and name HB2 )) ASSI { 2750} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG1 )) 2.800 1.000 1.000 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 2.164 ppm2 3.734 CV 1 OR { 2750} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG2 )) OR { 2750} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG2 )) OR { 2750} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG1 )) ASSI { 2757} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 140 and name HN )) 2.900 1.000 1.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 1.869 ppm2 8.767 CV 1 ASSI { 2759} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 156 and name HA )) 4.400 2.500 1.600 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.59634E-03 ppm1 1.746 ppm2 4.171 CV 1 ASSI { 2760} (( segid " " and resid 157 and name HB2 )) (( segid " " and resid 106 and name HA )) 3.200 1.300 1.300 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.87086E-03 ppm1 1.756 ppm2 4.930 CV 1 ASSI { 2763} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 157 and name HN )) 3.400 1.400 1.400 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.79026E-03 ppm1 1.629 ppm2 9.151 CV 1 ASSI { 2764} (( segid " " and resid 157 and name HB1 )) (( segid " " and resid 158 and name HN )) 4.000 2.000 2.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 1.641 ppm2 8.145 CV 1 ASSI { 2773} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 43 and name HA )) 4.300 2.300 1.700 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 2.346 ppm2 4.251 CV 1 ASSI { 2774} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HD1 )) 3.900 1.900 1.900 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.75053E-03 ppm1 2.350 ppm2 3.678 CV 1 OR { 2774} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HD2 )) ASSI { 2776} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HG1 )) 2.500 0.800 0.800 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 1.824 ppm2 2.076 CV 1 OR { 2776} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HG2 )) ASSI { 2777} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 43 and name HA )) 3.700 1.800 1.800 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.85963E-03 ppm1 1.824 ppm2 4.251 CV 1 ASSI { 2778} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HA )) 2.400 0.700 0.700 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.26376E-02 ppm1 1.823 ppm2 4.370 CV 1 ASSI { 2779} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 53 and name HE% ) 4.400 2.400 1.600 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.55959E-03 ppm1 1.819 ppm2 6.530 CV 1 ASSI { 2780} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 53 and name HD% ) 4.000 2.000 2.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.98469E-03 ppm1 1.822 ppm2 6.827 CV 1 ASSI { 2788} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 67 and name HN )) 4.400 2.500 1.600 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.93362E-03 ppm1 1.972 ppm2 7.267 CV 1 ASSI { 2792} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB1 )) 2.700 0.900 0.900 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 4.951 ppm2 2.005 CV 1 ASSI { 2793} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.900 1.000 1.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.40027E-02 ppm1 4.943 ppm2 2.094 CV 1 ASSI { 2795} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 2.400 0.700 0.700 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.36303E-02 ppm1 4.877 ppm2 6.995 CV 1 ASSI { 2798} (( segid " " and resid 73 and name HA )) (( segid " " and resid 83 and name HB1 )) 3.000 3.000 3.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.33783E-02 ppm1 4.869 ppm2 2.112 CV 1 ASSI { 2799} (( segid " " and resid 31 and name HA1 )) (( segid " " and resid 32 and name HN )) 3.900 1.900 1.900 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.70745E-03 ppm1 3.809 ppm2 8.048 CV 1 ASSI { 2801} (( segid " " and resid 54 and name HD2 )) (( segid " " and resid 54 and name HN )) 3.900 1.900 1.900 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.93064E-03 ppm1 1.658 ppm2 7.432 CV 1 OR { 2801} (( segid " " and resid 54 and name HD1 )) (( segid " " and resid 54 and name HN )) ASSI { 2807} ( segid " " and resid 89 and name HD2%) (( segid " " and resid 93 and name HA )) 3.700 1.800 1.800 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.20456E-02 ppm1 0.290 ppm2 3.760 CV 1 ASSI { 2808} (( segid " " and resid 135 and name HB )) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 1.676 ppm2 3.651 CV 1 ASSI { 2809} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HA )) 3.000 1.100 1.100 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.764 ppm2 3.495 CV 1 ASSI { 2810} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.89664E-03 ppm1 1.980 ppm2 3.477 CV 1 ASSI { 2812} (( segid " " and resid 49 and name HB )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.12013E-02 ppm1 1.998 ppm2 4.670 CV 1 ASSI { 2813} (( segid " " and resid 108 and name HA2 )) ( segid " " and resid 109 and name HD% ) 4.000 2.000 2.000 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.99838E-03 ppm1 4.223 ppm2 7.024 CV 1 ASSI { 2819} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 3.500 1.600 1.600 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.76075E-03 ppm1 4.184 ppm2 7.678 CV 1 ASSI { 2820} (( segid " " and resid 156 and name HA )) (( segid " " and resid 84 and name HN )) 2.500 2.500 3.500 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.79885E-03 ppm1 4.190 ppm2 8.380 CV 1 ASSI { 2821} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 82 and name HE% ) 5.000 3.100 1.000 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.50591E-03 ppm1 1.534 ppm2 6.483 CV 1 OR { 2821} (( segid " " and resid 84 and name HB1 )) ( segid " " and resid 82 and name HD% ) ASSI { 2826} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 70 and name HB1 )) 3.900 3.900 2.100 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.69834E-03 ppm1 1.534 ppm2 2.597 CV 1 ASSI { 2831} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 29 and name HE% ) 4.400 2.400 1.600 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.66073E-03 ppm1 2.239 ppm2 6.675 CV 1 OR { 2831} (( segid " " and resid 32 and name HG1 )) ( segid " " and resid 29 and name HE% ) ASSI { 2833} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 70 and name HD21)) 3.600 1.600 1.600 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.97149E-03 ppm1 2.325 ppm2 7.321 CV 1 ASSI { 2835} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 115 and name HN )) 4.400 2.500 1.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.58688E-03 ppm1 2.326 ppm2 8.780 CV 1 ASSI { 2837} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 49 and name HA )) 4.500 2.500 1.500 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.10641E-02 ppm1 2.332 ppm2 4.680 CV 1 ASSI { 2839} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HE22)) 4.400 2.400 1.600 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.61378E-03 ppm1 2.481 ppm2 6.853 CV 1 OR { 2839} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HE22)) ASSI { 2841} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 13 and name HN )) 3.900 1.900 1.900 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.79412E-03 ppm1 2.476 ppm2 8.351 CV 1 OR { 2841} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 13 and name HN )) ASSI { 2842} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HN )) 3.600 1.600 1.600 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.91941E-03 ppm1 2.621 ppm2 8.858 CV 1 ASSI { 2843} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HN )) 3.300 1.300 1.300 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.94009E-03 ppm1 2.487 ppm2 8.858 CV 1 ASSI { 2844} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HA )) 3.600 1.600 1.600 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 2.491 ppm2 3.802 CV 1 ASSI { 2845} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 112 and name HB2 )) 3.800 1.800 1.800 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.93350E-03 ppm1 2.490 ppm2 3.498 CV 1 ASSI { 2847} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.77954E-03 ppm1 2.619 ppm2 3.021 CV 1 ASSI { 2849} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HD21)) 3.500 1.500 1.500 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.67668E-03 ppm1 3.497 ppm2 7.587 CV 1 ASSI { 2850} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 128 and name HG2 )) 3.600 1.600 1.600 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.83846E-03 ppm1 3.497 ppm2 2.599 CV 1 ASSI { 2853} (( segid " " and resid 112 and name HB1 )) ( segid " " and resid 111 and name HG2%) 4.400 2.500 1.600 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.59920E-03 ppm1 3.026 ppm2 0.958 CV 1 ASSI { 2855} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HN )) 2.700 0.900 0.900 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.34811E-02 ppm1 4.416 ppm2 8.166 CV 1 ASSI { 2856} (( segid " " and resid 102 and name HA )) (( segid " " and resid 134 and name HN )) 3.200 3.200 2.800 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.34083E-02 ppm1 4.414 ppm2 7.821 CV 1 ASSI { 2858} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB1 )) 2.100 0.500 0.500 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.13678E-01 ppm1 4.414 ppm2 1.658 CV 1 OR { 2858} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) ASSI { 2859} (( segid " " and resid 102 and name HA )) ( segid " " and resid 100 and name HD1%) 2.000 2.000 4.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.29661E-02 ppm1 4.416 ppm2 0.943 CV 1 ASSI { 2862} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 2.800 1.000 1.000 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.16729E-02 ppm1 4.420 ppm2 8.794 CV 1 ASSI { 2863} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HB2 )) 3.500 3.500 2.500 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.21435E-02 ppm1 4.404 ppm2 3.117 CV 1 ASSI { 2864} (( segid " " and resid 124 and name HA )) (( segid " " and resid 131 and name HG1 )) 3.400 1.400 1.400 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.26128E-02 ppm1 5.039 ppm2 1.462 CV 1 OR { 2864} (( segid " " and resid 124 and name HA )) (( segid " " and resid 131 and name HG2 )) ASSI { 2865} (( segid " " and resid 124 and name HA )) (( segid " " and resid 131 and name HB1 )) 3.600 1.600 1.600 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 5.040 ppm2 1.628 CV 1 ASSI { 2866} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.500 0.800 0.800 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.46512E-02 ppm1 5.036 ppm2 2.918 CV 1 ASSI { 2867} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HN )) 3.000 1.100 1.100 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 5.041 ppm2 8.097 CV 1 ASSI { 2868} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HN )) 2.800 1.000 1.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 5.035 ppm2 8.624 CV 1 ASSI { 2870} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.31760E-02 ppm1 4.946 ppm2 7.368 CV 1 ASSI { 2871} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 2.900 1.000 1.000 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.39279E-02 ppm1 4.944 ppm2 7.206 CV 1 ASSI { 2873} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.45020E-02 ppm1 4.944 ppm2 2.735 CV 1 ASSI { 2874} (( segid " " and resid 157 and name HA )) (( segid " " and resid 157 and name HB2 )) 2.300 0.700 0.700 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.28527E-02 ppm1 4.928 ppm2 1.769 CV 1 ASSI { 2875} (( segid " " and resid 157 and name HA )) (( segid " " and resid 107 and name HN )) 1.600 0.300 0.600 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.32866E-02 ppm1 4.937 ppm2 9.379 CV 1 ASSI { 2878} (( segid " " and resid 61 and name HB )) (( segid " " and resid 86 and name HN )) 3.800 3.800 2.200 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.62435E-03 ppm1 1.532 ppm2 9.166 CV 1 ASSI { 2879} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 158 and name HN )) 3.600 1.600 1.600 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.15834E-02 ppm1 1.126 ppm2 8.131 CV 1 ASSI { 2880} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 20 and name HN )) 4.200 2.200 1.800 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.71515E-03 ppm1 2.241 ppm2 8.780 CV 1 ASSI { 2881} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.10396E-02 ppm1 2.180 ppm2 8.780 CV 1 ASSI { 2883} (( segid " " and resid 100 and name HG )) (( segid " " and resid 10 and name HN )) 2.700 2.700 3.300 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.58786E-03 ppm1 1.513 ppm2 8.186 CV 1 ASSI { 2887} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 85 and name HB )) 3.900 1.900 1.900 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.72475E-03 ppm1 6.774 ppm2 3.997 CV 1 ASSI { 2893} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 108 and name HN )) 3.900 1.900 1.900 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.72813E-03 ppm1 1.028 ppm2 7.475 CV 1 ASSI { 2894} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 106 and name HA )) 4.400 2.400 1.600 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.83024E-03 ppm1 1.039 ppm2 4.876 CV 1 OR { 2894} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 106 and name HA )) ASSI { 2896} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 80 and name HB2 )) 5.100 3.200 0.900 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.61378E-03 ppm1 1.088 ppm2 3.509 CV 1 ASSI { 2899} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.10440E-02 ppm1 2.159 ppm2 4.424 CV 1 ASSI { 2901} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HE2 )) 4.600 2.700 1.400 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.59422E-03 ppm1 2.174 ppm2 3.167 CV 1 OR { 2901} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HE1 )) ASSI { 2902} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.000 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.11358E-02 ppm1 1.521 ppm2 4.387 CV 1 ASSI { 2904} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HE1 )) 4.500 2.600 1.500 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.57081E-03 ppm1 1.515 ppm2 3.167 CV 1 OR { 2904} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HE2 )) ASSI { 2905} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 98 and name HN )) 4.000 2.000 2.000 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.79375E-03 ppm1 1.030 ppm2 9.586 CV 1 ASSI { 2906} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 136 and name HN )) 4.000 2.000 2.000 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.76187E-03 ppm1 1.031 ppm2 8.626 CV 1 ASSI { 2909} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) 2.400 0.700 0.700 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.35473E-02 ppm1 3.027 ppm2 4.977 CV 1 ASSI { 2910} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 60 and name HA )) 3.300 1.300 1.300 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 3.022 ppm2 5.364 CV 1 ASSI { 2912} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HD22)) 4.100 2.100 1.900 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 3.022 ppm2 6.828 CV 1 ASSI { 2913} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 60 and name HB2 )) 3.300 1.400 1.400 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 2.497 ppm2 1.677 CV 1 OR { 2913} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 60 and name HB1 )) ASSI { 2916} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 64 and name HD1 )) 3.500 1.600 1.600 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.80421E-03 ppm1 1.094 ppm2 3.021 CV 1 OR { 2916} (( segid " " and resid 61 and name HG11)) (( segid " " and resid 64 and name HD2 )) OR { 2916} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 64 and name HD1 )) OR { 2916} (( segid " " and resid 61 and name HG12)) (( segid " " and resid 64 and name HD2 )) ASSI { 2917} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HA )) 2.900 1.100 1.100 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.25914E-02 ppm1 1.479 ppm2 5.223 CV 1 ASSI { 2918} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 4.109 ppm2 8.596 CV 1 ASSI { 2921} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HA )) 3.200 1.300 1.300 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.19792E-02 ppm1 2.820 ppm2 4.554 CV 1 ASSI { 2922} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 122 and name HB2 )) 3.300 1.400 1.400 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.11302E-02 ppm1 4.261 ppm2 2.795 CV 1 ASSI { 2923} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 122 and name HB1 )) 3.200 1.300 1.300 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 4.271 ppm2 2.514 CV 1 ASSI { 2927} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HD21)) 3.400 1.500 1.500 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.10167E-02 ppm1 3.028 ppm2 7.316 CV 1 ASSI { 2928} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 71 and name HN )) 3.900 1.900 1.900 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 2.589 ppm2 8.146 CV 1 ASSI { 2930} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HN )) 3.900 1.900 1.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.77668E-03 ppm1 1.991 ppm2 8.004 CV 1 ASSI { 2931} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name HA )) 3.500 3.500 2.500 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.64317E-03 ppm1 1.995 ppm2 4.020 CV 1 ASSI { 2932} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name HA )) 3.500 1.500 1.500 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.57629E-03 ppm1 1.427 ppm2 4.081 CV 1 ASSI { 2933} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.500 1.600 1.600 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.64366E-03 ppm1 1.631 ppm2 9.513 CV 1 ASSI { 2935} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.000 0.500 0.500 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.52822E-02 ppm1 4.571 ppm2 8.810 CV 1 ASSI { 2936} (( segid " " and resid 61 and name HA )) (( segid " " and resid 152 and name HA )) 3.400 1.400 1.400 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.24611E-02 ppm1 4.577 ppm2 4.811 CV 1 ASSI { 2940} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 114 and name HN )) 4.900 3.000 1.100 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.57904E-03 ppm1 0.648 ppm2 8.287 CV 1 ASSI { 2941} ( segid " " and resid 113 and name HD1%) (( segid " " and resid 113 and name HN )) 3.700 1.700 1.700 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.64231E-03 ppm1 0.652 ppm2 8.544 CV 1 ASSI { 2950} (( segid " " and resid 154 and name HB )) (( segid " " and resid 155 and name HN )) 2.700 0.900 0.900 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.54220E-02 ppm1 4.572 ppm2 7.999 CV 1 ASSI { 2954} (( segid " " and resid 61 and name HA )) (( segid " " and resid 86 and name HN )) 3.000 3.000 3.000 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.20072E-02 ppm1 4.574 ppm2 9.149 CV 1 ASSI { 2955} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HA )) 2.800 2.800 3.200 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.39133E-02 ppm1 4.579 ppm2 5.098 CV 1 ASSI { 2968} ( segid " " and resid 22 and name HG2%) ( segid " " and resid 82 and name HE% ) 3.700 1.700 1.700 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.70670E-03 ppm1 1.406 ppm2 6.492 CV 1 ASSI { 2972} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 103 and name HA2 )) 3.500 1.500 1.500 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.69350E-03 ppm1 1.126 ppm2 4.211 CV 1 ASSI { 2974} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 157 and name HG2 )) 4.400 2.500 1.600 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.71890E-03 ppm1 1.124 ppm2 2.142 CV 1 OR { 2974} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 157 and name HG1 )) ASSI { 2975} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 103 and name HA1 )) 3.800 3.800 2.200 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.78802E-03 ppm1 1.128 ppm2 3.912 CV 1 ASSI { 2976} (( segid " " and resid 139 and name HA )) (( segid " " and resid 142 and name HN )) 3.200 1.300 1.300 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 3.978 ppm2 7.167 CV 1 ASSI { 2977} (( segid " " and resid 139 and name HA )) ( segid " " and resid 142 and name HG2%) 4.200 2.200 1.800 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.88206E-03 ppm1 3.980 ppm2 1.215 CV 1 ASSI { 2981} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 3.400 1.500 1.500 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 4.096 ppm2 8.805 CV 1 ASSI { 2982} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HN )) 3.300 1.300 1.300 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.91692E-03 ppm1 4.090 ppm2 8.384 CV 1 ASSI { 2983} (( segid " " and resid 19 and name HA )) ( segid " " and resid 22 and name HG2%) 3.300 3.300 2.700 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.11107E-02 ppm1 4.095 ppm2 1.403 CV 1 ASSI { 2987} (( segid " " and resid 102 and name HA )) ( segid " " and resid 106 and name HB% ) 2.900 1.100 1.100 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 4.414 ppm2 1.133 CV 1 ASSI { 2988} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HN )) 2.400 0.700 0.700 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.45764E-02 ppm1 4.895 ppm2 9.366 CV 1 ASSI { 2989} (( segid " " and resid 106 and name HA )) (( segid " " and resid 157 and name HB1 )) 3.400 1.500 1.500 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 4.889 ppm2 1.605 CV 1 ASSI { 2990} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HB% ) 2.200 0.600 0.600 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.45698E-02 ppm1 4.895 ppm2 1.117 CV 1 ASSI { 2992} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.600 0.800 0.800 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.41657E-02 ppm1 5.020 ppm2 2.482 CV 1 ASSI { 2996} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.800 0.900 0.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.16086E-02 ppm1 5.017 ppm2 8.634 CV 1 ASSI { 2998} ( segid " " and resid 79 and name HB% ) (( segid " " and resid 75 and name HD21)) 2.600 2.600 3.400 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.75477E-03 ppm1 1.679 ppm2 7.598 CV 1 ASSI { 3001} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.000 3.000 3.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.24196E-02 ppm1 0.161 ppm2 6.170 CV 1 ASSI { 3007} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 82 and name HB2 )) 3.500 3.500 2.500 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.95516E-03 ppm1 0.161 ppm2 2.653 CV 1 ASSI { 3008} ( segid " " and resid 82 and name HD% ) ( segid " " and resid 25 and name HD1%) 3.700 1.700 1.700 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.55337E-03 ppm1 6.461 ppm2 0.188 CV 1 ASSI { 3016} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 116 and name HG2 )) 3.900 1.900 1.900 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.54564E-03 ppm1 6.777 ppm2 1.465 CV 1 ASSI { 3024} ( segid " " and resid 83 and name HD% ) (( segid " " and resid 84 and name HN )) 3.600 1.700 1.700 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.62051E-03 ppm1 6.779 ppm2 8.372 CV 1 ASSI { 3030} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 25 and name HG2%) 4.300 2.300 1.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.50840E-03 ppm1 7.333 ppm2 0.600 CV 1 ASSI { 3038} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 38 and name HA )) 4.600 2.600 1.400 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.59995E-03 ppm1 6.697 ppm2 4.124 CV 1 ASSI { 3043} ( segid " " and resid 109 and name HE% ) (( segid " " and resid 134 and name HA )) 3.900 1.900 1.900 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.55300E-03 ppm1 6.863 ppm2 3.365 CV 1 ASSI { 3046} (( segid " " and resid 86 and name HA )) (( segid " " and resid 69 and name HA )) 3.000 1.100 1.100 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.10996E-02 ppm1 5.588 ppm2 5.235 CV 1 ASSI { 3047} (( segid " " and resid 86 and name HA )) (( segid " " and resid 88 and name HH12)) 4.500 2.500 1.500 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 5.585 ppm2 6.628 CV 1 OR { 3047} (( segid " " and resid 86 and name HA )) (( segid " " and resid 88 and name HH11)) ASSI { 3048} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 2.900 1.100 1.100 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.11049E-02 ppm1 5.590 ppm2 9.157 CV 1 ASSI { 3052} (( segid " " and resid 126 and name HA )) ( segid " " and resid 111 and name HG1%) 3.500 1.600 1.600 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 5.204 ppm2 0.834 CV 1 ASSI { 3053} (( segid " " and resid 126 and name HA )) (( segid " " and resid 131 and name HE1 )) 3.400 1.400 1.400 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.76038E-03 ppm1 5.198 ppm2 2.107 CV 1 OR { 3053} (( segid " " and resid 126 and name HA )) (( segid " " and resid 131 and name HE2 )) ASSI { 3056} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 81 and name HN )) 4.100 2.100 1.900 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.85055E-03 ppm1 6.837 ppm2 8.780 CV 1 ASSI { 3061} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.400 0.700 0.700 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.36040E-02 ppm1 5.365 ppm2 3.021 CV 1 ASSI { 3069} (( segid " " and resid 123 and name HA2 )) (( segid " " and resid 132 and name HB1 )) 2.700 2.700 3.300 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.36249E-02 ppm1 4.706 ppm2 3.802 CV 1 ASSI { 3070} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 3.100 1.200 1.200 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 4.301 ppm2 7.623 CV 1 ASSI { 3072} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.900 1.000 1.000 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.13009E-02 ppm1 2.184 ppm2 3.722 CV 1 ASSI { 3073} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HD1 )) 2.600 0.800 0.800 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.24881E-02 ppm1 2.117 ppm2 3.671 CV 1 OR { 3073} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HD2 )) ASSI { 3074} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HD1 )) 2.800 1.000 1.000 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.17117E-02 ppm1 2.060 ppm2 3.681 CV 1 OR { 3074} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HD2 )) OR { 3074} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HD2 )) OR { 3074} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HD1 )) ASSI { 3075} (( segid " " and resid 50 and name HG2 )) ( segid " " and resid 53 and name HE% ) 3.000 1.200 1.200 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.82712E-03 ppm1 2.119 ppm2 6.543 CV 1 ASSI { 3076} (( segid " " and resid 50 and name HG2 )) ( segid " " and resid 53 and name HD% ) 3.800 1.800 1.800 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.70756E-03 ppm1 2.119 ppm2 6.828 CV 1 ASSI { 3077} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 91 and name HA )) 3.100 1.200 1.200 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 2.496 ppm2 3.603 CV 1 ASSI { 3078} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 92 and name HA )) 3.700 1.700 1.700 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.75651E-03 ppm1 2.508 ppm2 4.045 CV 1 ASSI { 3082} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 109 and name HN )) 3.600 1.700 1.700 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.57580E-03 ppm1 6.774 ppm2 8.780 CV 1 ASSI { 3085} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 5.254 ppm2 1.634 CV 1 !assign (resid 112 and name HN) (resid 152 and name HN) 5.500 3.7 0.0 ! beta2.beta3 assign (resid 112 and name HN) (resid 153 and name HA) 5.500 3.7 0.0 ! beta2.beta3 assign (resid 154 and name HN) (resid 111 and name HA) 5.500 3.7 0.0 ! beta2.beta3 !assign (resid 154 and name HN) (resid 110 and name HN) 5.500 3.7 0.0 ! beta2.beta3 assign (resid 110 and name HN) (resid 155 and name HA) 5.500 3.7 0.0 ! beta2.beta3 assign (resid 156 and name HN) (resid 109 and name HA) 5.500 3.7 0.0 ! beta2.beta3 assign (resid 108 and name HN) (resid 156 and name HA) 5.500 3.7 0.0 ! beta2.beta3 !assign (resid 111 and name HN) (resid 128 and name HA) 5.500 3.7 0.0 ! beta3.beta4 !assign (resid 111 and name HN) (resid 129 and name HN) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 111 and name HN) (resid 130 and name HA) 5.500 3.7 0.0 ! beta3.beta4 !assign (resid 129 and name HN) (resid 110 and name HA1) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 129 and name HN) (resid 110 and name HA2) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 131 and name HN) (resid 110 and name HA1) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 131 and name HN) (resid 110 and name HA2) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 109 and name HN) (resid 130 and name HA) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 109 and name HN) (resid 131 and name HN) 5.500 3.7 0.0 ! beta3.beta4 assign (resid 109 and name HN) (resid 132 and name HA) 5.500 3.7 0.0 ! beta3.beta4 !assign (resid 131 and name HN) (resid 108 and name HA1) 5.500 3.7 0.0 ! beta3.beta4 !assign (resid 131 and name HN) (resid 108 and name HA2) 5.500 3.7 0.0 ! beta3.beta4 !assign (resid 59 and name HN) (resid 89 and name HN) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 88 and name HN) (resid 60 and name HA) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 87 and name HA) (resid 61 and name HN) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 61 and name HN) (resid 86 and name HN) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 86 and name HN) (resid 62 and name HA) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 86 and name HN) (resid 63 and name HN) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 63 and name HN) (resid 85 and name HA) 5.500 3.7 0.0 ! beta1.beta5 !assign (resid 84 and name HN) (resid 63 and name HA) 5.500 3.7 0.0 ! beta1.beta5 assign (resid 74 and name HN) (resid 82 and name HA) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 83 and name HN) (resid 72 and name HA1) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 83 and name HN) (resid 72 and name HA2) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 71 and name HN) (resid 84 and name HA) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 71 and name HN) (resid 85 and name HN) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 85 and name HN) (resid 70 and name HA) 5.500 3.7 0.0 ! beta5.beta6 assign (resid 25 and name HG2#) (resid 82 and name HE1) 5.500 3.7 0.0 !long-range NOE assign (resid 25 and name HG2#) (resid 82 and name HE2) 5.500 3.7 0.0 !long-range NOE
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