NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
7652 | 1ktu | 5261 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 330} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HB )) 3.100 1.200 1.200 peak 330 weight 0.10000E+01 volume 0.67742E-02 ppm1 2.119 ppm2 2.016 CV 1 ASSI { 345} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 102 and name HB )) 4.100 2.100 1.900 peak 345 weight 0.10000E+01 volume 0.61886E-03 ppm1 2.087 ppm2 1.715 CV 1 OR { 345} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 102 and name HB )) ASSI { 367} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 367 weight 0.10000E+01 volume 0.21688E-02 ppm1 1.922 ppm2 7.908 CV 1 ASSI { 371} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB2 )) 3.800 1.800 1.800 peak 371 weight 0.10000E+01 volume 0.11336E-02 ppm1 1.909 ppm2 1.646 CV 1 OR { 371} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 98 and name HB2 )) ASSI { 372} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 98 and name HB2 )) 2.400 0.700 0.700 peak 372 weight 0.10000E+01 volume 0.49253E-02 ppm1 1.909 ppm2 1.472 CV 1 OR { 372} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HB2 )) ASSI { 373} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 98 and name HB2 )) 3.900 1.900 1.900 peak 373 weight 0.10000E+01 volume 0.71975E-03 ppm1 1.914 ppm2 0.679 CV 1 ASSI { 374} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HB2 )) 4.000 2.000 2.000 peak 374 weight 0.10000E+01 volume 0.60248E-03 ppm1 1.894 ppm2 2.918 CV 1 OR { 374} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HB2 )) ASSI { 376} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 98 and name HB2 )) 3.600 1.600 1.600 peak 376 weight 0.10000E+01 volume 0.18535E-02 ppm1 1.891 ppm2 2.125 CV 1 OR { 376} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 98 and name HB2 )) ASSI { 397} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB )) 2.500 0.800 0.800 peak 397 weight 0.10000E+01 volume 0.33402E-02 ppm1 1.717 ppm2 7.400 CV 1 ASSI { 399} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HB )) 3.700 1.700 1.700 peak 399 weight 0.10000E+01 volume 0.11587E-02 ppm1 1.720 ppm2 3.782 CV 1 ASSI { 403} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 54 and name HB )) 2.300 0.600 0.600 peak 403 weight 0.10000E+01 volume 0.77585E-02 ppm1 1.718 ppm2 0.420 CV 1 OR { 403} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 54 and name HB )) ASSI { 614} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 614 weight 0.10000E+01 volume 0.18901E-02 ppm1 5.161 ppm2 2.043 CV 1 OR { 614} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HA )) ASSI { 616} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 34 and name HA )) 4.400 2.400 1.600 peak 616 weight 0.10000E+01 volume 0.13121E-02 ppm1 5.167 ppm2 1.681 CV 1 ASSI { 618} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 34 and name HA )) 1.800 0.400 0.400 peak 618 weight 0.10000E+01 volume 0.24387E-02 ppm1 5.158 ppm2 1.877 CV 1 ASSI { 641} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 38 and name HA )) 6.000 5.400 0.000 peak 641 weight 0.10000E+01 volume 0.64205E-03 ppm1 4.922 ppm2 2.606 CV 1 ASSI { 642} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 642 weight 0.10000E+01 volume 0.17227E-02 ppm1 4.905 ppm2 1.726 CV 1 OR { 642} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 38 and name HA )) ASSI { 643} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 38 and name HA )) 3.300 1.400 1.400 peak 643 weight 0.10000E+01 volume 0.15007E-02 ppm1 4.902 ppm2 1.545 CV 1 ASSI { 658} (( segid " " and resid 102 and name HB )) (( segid " " and resid 106 and name HA )) 3.800 1.800 1.800 peak 658 weight 0.10000E+01 volume 0.21993E-02 ppm1 4.832 ppm2 2.065 CV 1 ASSI { 659} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 106 and name HA )) 4.200 2.200 1.800 peak 659 weight 0.10000E+01 volume 0.94636E-03 ppm1 4.817 ppm2 0.838 CV 1 ASSI { 677} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 111 and name HA )) 4.400 2.400 1.600 peak 677 weight 0.10000E+01 volume 0.11623E-02 ppm1 4.685 ppm2 2.628 CV 1 ASSI { 682} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 86 and name HA )) 4.200 2.200 1.800 peak 682 weight 0.10000E+01 volume 0.70984E-03 ppm1 4.654 ppm2 7.316 CV 1 ASSI { 683} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HA )) 3.300 1.400 1.400 peak 683 weight 0.10000E+01 volume 0.15907E-02 ppm1 4.657 ppm2 5.188 CV 1 ASSI { 714} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HA )) 4.500 2.600 1.500 peak 714 weight 0.10000E+01 volume 0.79325E-03 ppm1 4.281 ppm2 8.454 CV 1 ASSI { 715} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.700 0.900 0.900 peak 715 weight 0.10000E+01 volume 0.43361E-02 ppm1 4.276 ppm2 8.274 CV 1 ASSI { 716} (( segid " " and resid 92 and name HA )) (( segid " " and resid 91 and name HA )) 4.000 2.000 2.000 peak 716 weight 0.10000E+01 volume 0.72996E-03 ppm1 4.282 ppm2 3.671 CV 1 ASSI { 718} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.400 1.400 1.400 peak 718 weight 0.10000E+01 volume 0.15255E-02 ppm1 4.274 ppm2 7.437 CV 1 ASSI { 724} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 91 and name HA )) 4.300 2.300 1.700 peak 724 weight 0.10000E+01 volume 0.63831E-03 ppm1 4.270 ppm2 2.735 CV 1 OR { 724} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 91 and name HA )) ASSI { 729} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 91 and name HA )) 4.300 2.300 1.700 peak 729 weight 0.10000E+01 volume 0.61942E-03 ppm1 4.263 ppm2 0.816 CV 1 ASSI { 738} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 94 and name HA )) 4.300 2.300 1.700 peak 738 weight 0.10000E+01 volume 0.56619E-03 ppm1 4.222 ppm2 1.172 CV 1 ASSI { 739} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA )) 3.000 1.100 1.100 peak 739 weight 0.10000E+01 volume 0.19032E-02 ppm1 4.204 ppm2 8.821 CV 1 ASSI { 740} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 740 weight 0.10000E+01 volume 0.39560E-02 ppm1 4.204 ppm2 7.835 CV 1 ASSI { 747} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 94 and name HA )) 2.200 0.600 0.600 peak 747 weight 0.10000E+01 volume 0.14935E-01 ppm1 4.206 ppm2 1.545 CV 1 ASSI { 750} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 94 and name HA )) 3.400 1.500 1.500 peak 750 weight 0.10000E+01 volume 0.17741E-02 ppm1 4.204 ppm2 0.821 CV 1 ASSI { 1069} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 118 and name HB )) 2.600 0.800 0.800 peak 1069 weight 0.10000E+01 volume 0.42555E-02 ppm1 2.628 ppm2 2.186 CV 1 ASSI { 1077} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HB )) 2.100 0.600 0.600 peak 1077 weight 0.10000E+01 volume 0.97917E-02 ppm1 2.432 ppm2 0.839 CV 1 OR { 1077} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HB )) ASSI { 1086} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 98 and name HB1 )) 4.200 2.200 1.800 peak 1086 weight 0.10000E+01 volume 0.13810E-02 ppm1 1.952 ppm2 2.418 CV 1 ASSI { 1087} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB2 )) 2.900 1.000 1.000 peak 1087 weight 0.10000E+01 volume 0.37198E-02 ppm1 1.939 ppm2 1.731 CV 1 OR { 1087} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HB2 )) OR { 1087} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB1 )) OR { 1087} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HB1 )) ASSI { 1164} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 38 and name HA )) 5.500 3.800 0.500 peak 1164 weight 0.10000E+01 volume 0.10363E-02 ppm1 4.915 ppm2 1.617 CV 1 ASSI { 1176} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 1176 weight 0.10000E+01 volume 0.33710E-02 ppm1 4.701 ppm2 4.438 CV 1 ASSI { 1182} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HA )) 2.600 0.800 0.800 peak 1182 weight 0.10000E+01 volume 0.68044E-02 ppm1 4.657 ppm2 2.407 CV 1 OR { 1182} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HA )) ASSI { 1183} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.900 1.000 1.000 peak 1183 weight 0.10000E+01 volume 0.28258E-02 ppm1 4.654 ppm2 2.109 CV 1 ASSI { 1185} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.000 0.500 0.500 peak 1185 weight 0.10000E+01 volume 0.12325E-01 ppm1 4.385 ppm2 8.252 CV 1 ASSI { 1186} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HA )) 4.000 2.000 2.000 peak 1186 weight 0.10000E+01 volume 0.60506E-03 ppm1 4.385 ppm2 8.094 CV 1 ASSI { 1187} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 1187 weight 0.10000E+01 volume 0.10800E-02 ppm1 4.383 ppm2 6.989 CV 1 ASSI { 1188} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HA )) 4.400 2.400 1.600 peak 1188 weight 0.10000E+01 volume 0.56905E-03 ppm1 4.386 ppm2 5.610 CV 1 ASSI { 1190} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) 2.200 0.600 0.600 peak 1190 weight 0.10000E+01 volume 0.10925E-01 ppm1 4.385 ppm2 1.622 CV 1 OR { 1190} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 1191} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 1191 weight 0.10000E+01 volume 0.35273E-02 ppm1 4.386 ppm2 1.322 CV 1 OR { 1191} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) ASSI { 1192} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HA )) 4.300 2.300 1.700 peak 1192 weight 0.10000E+01 volume 0.19325E-02 ppm1 4.385 ppm2 0.454 CV 1 ASSI { 1334} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 139 and name HA )) 4.400 2.400 1.600 peak 1334 weight 0.10000E+01 volume 0.68302E-03 ppm1 5.157 ppm2 2.965 CV 1 ASSI { 1497} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 1497 weight 0.10000E+01 volume 0.19860E-02 ppm1 4.905 ppm2 0.843 CV 1 ASSI { 1498} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 1498 weight 0.10000E+01 volume 0.19354E-02 ppm1 4.890 ppm2 9.220 CV 1 ASSI { 1499} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 1.800 0.400 0.400 peak 1499 weight 0.10000E+01 volume 0.11652E-01 ppm1 4.890 ppm2 8.682 CV 1 ASSI { 1503} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 38 and name HA )) 2.600 0.800 0.800 peak 1503 weight 0.10000E+01 volume 0.43133E-02 ppm1 4.888 ppm2 2.334 CV 1 OR { 1503} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HA )) ASSI { 1504} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 1504 weight 0.10000E+01 volume 0.55495E-02 ppm1 4.889 ppm2 2.180 CV 1 ASSI { 1513} (( segid " " and resid 135 and name HN )) (( segid " " and resid 41 and name HA )) 4.300 2.300 1.700 peak 1513 weight 0.10000E+01 volume 0.69909E-03 ppm1 4.433 ppm2 6.797 CV 1 ASSI { 1514} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.200 0.600 0.600 peak 1514 weight 0.10000E+01 volume 0.47236E-02 ppm1 4.425 ppm2 8.914 CV 1 ASSI { 1516} (( segid " " and resid 134 and name HA )) (( segid " " and resid 41 and name HA )) 2.000 0.500 0.500 peak 1516 weight 0.10000E+01 volume 0.39821E-02 ppm1 4.424 ppm2 4.125 CV 1 ASSI { 1518} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 1518 weight 0.10000E+01 volume 0.17545E-02 ppm1 4.421 ppm2 1.774 CV 1 OR { 1518} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HA )) ASSI { 1619} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB1 )) 2.500 0.800 0.800 peak 1619 weight 0.10000E+01 volume 0.33983E-02 ppm1 2.451 ppm2 4.668 CV 1 ASSI { 1838} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 1838 weight 0.10000E+01 volume 0.26080E-02 ppm1 2.456 ppm2 8.544 CV 1 ASSI { 1839} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HB1 )) 1.500 0.300 0.700 peak 1839 weight 0.10000E+01 volume 0.10693E-01 ppm1 2.454 ppm2 2.140 CV 1 ASSI { 1845} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 86 and name HB2 )) 4.700 2.700 1.300 peak 1845 weight 0.10000E+01 volume 0.11646E-02 ppm1 2.171 ppm2 2.070 CV 1 ASSI { 1848} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 2.800 1.000 1.000 peak 1848 weight 0.10000E+01 volume 0.18746E-02 ppm1 2.140 ppm2 8.688 CV 1 ASSI { 1905} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 115 and name HA )) 4.000 2.000 2.000 peak 1905 weight 0.10000E+01 volume 0.10057E-02 ppm1 5.232 ppm2 0.528 CV 1 ASSI { 1909} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.000 1.000 peak 1909 weight 0.10000E+01 volume 0.17106E-02 ppm1 5.170 ppm2 8.548 CV 1 ASSI { 1910} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.300 0.600 0.600 peak 1910 weight 0.10000E+01 volume 0.65085E-02 ppm1 5.168 ppm2 8.347 CV 1 ASSI { 1914} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1914 weight 0.10000E+01 volume 0.28565E-02 ppm1 5.168 ppm2 1.188 CV 1 OR { 1914} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HA )) ASSI { 1915} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 139 and name HA )) 2.400 0.700 0.700 peak 1915 weight 0.10000E+01 volume 0.56521E-02 ppm1 5.169 ppm2 0.961 CV 1 OR { 1915} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 139 and name HA )) ASSI { 1916} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 139 and name HA )) 3.100 1.200 1.200 peak 1916 weight 0.10000E+01 volume 0.23601E-02 ppm1 5.168 ppm2 0.318 CV 1 OR { 1916} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HA )) ASSI { 1934} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.200 0.600 0.600 peak 1934 weight 0.10000E+01 volume 0.85522E-02 ppm1 4.524 ppm2 8.701 CV 1 ASSI { 2083} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 27 and name HA )) 4.200 2.200 1.800 peak 2083 weight 0.10000E+01 volume 0.29177E-02 ppm1 4.531 ppm2 1.678 CV 1 ASSI { 2084} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 2084 weight 0.10000E+01 volume 0.49570E-02 ppm1 4.524 ppm2 1.305 CV 1 OR { 2084} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HA )) ASSI { 2088} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.900 1.000 1.000 peak 2088 weight 0.10000E+01 volume 0.26641E-02 ppm1 4.522 ppm2 7.561 CV 1 ASSI { 2219} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB )) 3.400 1.500 1.500 peak 2219 weight 0.10000E+01 volume 0.11619E-02 ppm1 2.622 ppm2 8.827 CV 1 ASSI { 2269} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 27 and name HA )) 4.700 2.800 1.300 peak 2269 weight 0.10000E+01 volume 0.99647E-03 ppm1 4.527 ppm2 1.548 CV 1 ASSI { 2376} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 115 and name HA )) 4.300 2.300 1.700 peak 2376 weight 0.10000E+01 volume 0.77675E-03 ppm1 5.273 ppm2 3.765 CV 1 ASSI { 2377} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 115 and name HA )) 3.800 1.800 1.800 peak 2377 weight 0.10000E+01 volume 0.91068E-03 ppm1 5.277 ppm2 2.952 CV 1 ASSI { 2381} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 120 and name HA )) 5.100 3.200 0.900 peak 2381 weight 0.10000E+01 volume 0.61661E-03 ppm1 4.909 ppm2 3.771 CV 1 ASSI { 2382} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 2382 weight 0.10000E+01 volume 0.25617E-02 ppm1 4.901 ppm2 1.538 CV 1 ASSI { 2383} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 121 and name HA )) 2.600 0.800 0.800 peak 2383 weight 0.10000E+01 volume 0.39865E-02 ppm1 4.907 ppm2 0.973 CV 1 OR { 2383} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 121 and name HA )) ASSI { 2388} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HA )) 2.400 0.700 0.700 peak 2388 weight 0.10000E+01 volume 0.44316E-02 ppm1 4.861 ppm2 1.665 CV 1 OR { 2388} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) ASSI { 2391} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 114 and name HA )) 4.100 2.100 1.900 peak 2391 weight 0.10000E+01 volume 0.10619E-02 ppm1 4.862 ppm2 0.139 CV 1 ASSI { 2520} (( segid " " and resid 104 and name HE2 )) (( segid " " and resid 104 and name HD2 )) 2.700 0.900 0.900 peak 2520 weight 0.10000E+01 volume 0.29302E-02 ppm1 1.635 ppm2 2.866 CV 1 ASSI { 2529} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.200 0.600 0.600 peak 2529 weight 0.10000E+01 volume 0.80510E-02 ppm1 5.272 ppm2 9.584 CV 1 ASSI { 2537} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 115 and name HA )) 3.100 1.200 1.200 peak 2537 weight 0.10000E+01 volume 0.81381E-03 ppm1 5.271 ppm2 2.785 CV 1 ASSI { 2538} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 2538 weight 0.10000E+01 volume 0.37198E-02 ppm1 5.273 ppm2 1.948 CV 1 ASSI { 2539} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 115 and name HA )) 2.400 0.700 0.700 peak 2539 weight 0.10000E+01 volume 0.45165E-02 ppm1 5.272 ppm2 1.634 CV 1 OR { 2539} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HA )) OR { 2539} (( segid " " and resid 115 and name HG )) (( segid " " and resid 115 and name HA )) ASSI { 2636} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HG1 )) 2.200 0.600 0.600 peak 2636 weight 0.10000E+01 volume 0.78123E-02 ppm1 2.752 ppm2 2.624 CV 1 OR { 2636} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HG2 )) OR { 2636} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HG1 )) OR { 2636} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HG2 )) ASSI { 2640} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 52 and name HB2 )) 4.200 2.200 1.800 peak 2640 weight 0.10000E+01 volume 0.59007E-03 ppm1 2.628 ppm2 6.956 CV 1 OR { 2640} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 52 and name HB1 )) ASSI { 2643} (( segid " " and resid 68 and name HA )) (( segid " " and resid 52 and name HB1 )) 4.000 2.000 2.000 peak 2643 weight 0.10000E+01 volume 0.29801E-02 ppm1 2.626 ppm2 4.727 CV 1 OR { 2643} (( segid " " and resid 68 and name HA )) (( segid " " and resid 52 and name HB2 )) ASSI { 2649} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 15 and name HB1 )) 3.600 1.600 1.600 peak 2649 weight 0.10000E+01 volume 0.64051E-03 ppm1 1.939 ppm2 1.471 CV 1 ASSI { 2650} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 2650 weight 0.10000E+01 volume 0.15374E-02 ppm1 1.924 ppm2 7.895 CV 1 ASSI { 2651} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 15 and name HB1 )) 4.000 2.000 2.000 peak 2651 weight 0.10000E+01 volume 0.98662E-03 ppm1 1.913 ppm2 1.643 CV 1 ASSI { 2660} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 104 and name HD2 )) 3.100 1.200 1.200 peak 2660 weight 0.10000E+01 volume 0.72822E-03 ppm1 1.631 ppm2 0.756 CV 1 ASSI { 2673} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HA )) 3.700 1.700 1.700 peak 2673 weight 0.10000E+01 volume 0.15628E-02 ppm1 5.274 ppm2 2.285 CV 1 ASSI { 2738} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 52 and name HB1 )) 4.300 2.300 1.700 peak 2738 weight 0.10000E+01 volume 0.16779E-02 ppm1 2.627 ppm2 2.101 CV 1 OR { 2738} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 2739} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB2 )) 4.000 2.000 2.000 peak 2739 weight 0.10000E+01 volume 0.85156E-03 ppm1 2.301 ppm2 4.705 CV 1 ASSI { 2741} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.900 1.100 1.100 peak 2741 weight 0.10000E+01 volume 0.15821E-02 ppm1 2.287 ppm2 7.877 CV 1 ASSI { 2742} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 2742 weight 0.10000E+01 volume 0.26966E-02 ppm1 2.286 ppm2 7.671 CV 1 ASSI { 2743} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.900 1.100 1.100 peak 2743 weight 0.10000E+01 volume 0.30889E-02 ppm1 2.293 ppm2 4.044 CV 1 ASSI { 2745} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HB2 )) 1.700 0.400 0.500 peak 2745 weight 0.10000E+01 volume 0.83520E-02 ppm1 2.293 ppm2 1.918 CV 1 ASSI { 2746} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HB2 )) 4.200 2.300 1.800 peak 2746 weight 0.10000E+01 volume 0.13798E-02 ppm1 2.290 ppm2 1.722 CV 1 OR { 2746} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HB2 )) ASSI { 2747} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 15 and name HB2 )) 2.800 1.000 1.000 peak 2747 weight 0.10000E+01 volume 0.16986E-02 ppm1 2.288 ppm2 1.575 CV 1 OR { 2747} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HB2 )) OR { 2747} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 15 and name HB2 )) ASSI { 2751} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HB1 )) 4.100 2.100 1.900 peak 2751 weight 0.10000E+01 volume 0.22892E-02 ppm1 1.936 ppm2 1.730 CV 1 OR { 2751} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HB1 )) ASSI { 2752} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HB1 )) 3.900 1.900 1.900 peak 2752 weight 0.10000E+01 volume 0.15590E-02 ppm1 1.934 ppm2 1.593 CV 1 OR { 2752} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 15 and name HB1 )) ASSI { 2755} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) 2.600 0.900 0.900 peak 2755 weight 0.10000E+01 volume 0.34971E-02 ppm1 1.926 ppm2 4.041 CV 1 ASSI { 2756} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HB1 )) 1.600 0.300 0.600 peak 2756 weight 0.10000E+01 volume 0.19921E-01 ppm1 1.929 ppm2 2.285 CV 1 OR { 2756} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HB1 )) OR { 2756} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HB1 )) ASSI { 2757} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 2757 weight 0.10000E+01 volume 0.12662E-02 ppm1 1.926 ppm2 1.543 CV 1 OR { 2757} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HB1 )) OR { 2757} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 15 and name HB1 )) ASSI { 2822} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HB1 )) 2.100 0.500 0.500 peak 2822 weight 0.10000E+01 volume 0.16234E-01 ppm1 1.961 ppm2 2.219 CV 1 ASSI { 2901} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB2 )) 2.900 1.100 1.100 peak 2901 weight 0.10000E+01 volume 0.86689E-03 ppm1 2.116 ppm2 4.733 CV 1 ASSI { 2906} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.900 1.900 1.900 peak 2906 weight 0.10000E+01 volume 0.60885E-03 ppm1 2.063 ppm2 8.894 CV 1 OR { 2906} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 2919} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.700 1.700 1.700 peak 2919 weight 0.10000E+01 volume 0.16108E-02 ppm1 1.962 ppm2 9.174 CV 1 ASSI { 2921} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) 2.600 0.800 0.800 peak 2921 weight 0.10000E+01 volume 0.45933E-02 ppm1 1.968 ppm2 4.705 CV 1 ASSI { 2923} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HB1 )) 4.600 2.600 1.400 peak 2923 weight 0.10000E+01 volume 0.72914E-03 ppm1 1.962 ppm2 2.620 CV 1 ASSI { 2924} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 119 and name HB1 )) 3.800 1.800 1.800 peak 2924 weight 0.10000E+01 volume 0.19560E-02 ppm1 1.968 ppm2 1.060 CV 1 ASSI { 3004} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 119 and name HB2 )) 4.900 3.000 1.100 peak 3004 weight 0.10000E+01 volume 0.92934E-03 ppm1 2.084 ppm2 1.472 CV 1 OR { 3004} (( segid " " and resid 120 and name HG )) (( segid " " and resid 119 and name HB2 )) ASSI { 3021} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.600 0.600 peak 3021 weight 0.10000E+01 volume 0.64893E-02 ppm1 5.275 ppm2 8.612 CV 1 ASSI { 3022} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 3022 weight 0.10000E+01 volume 0.16787E-02 ppm1 5.274 ppm2 2.200 CV 1 ASSI { 3024} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 2.100 0.600 0.600 peak 3024 weight 0.10000E+01 volume 0.89740E-02 ppm1 4.882 ppm2 9.096 CV 1 ASSI { 3042} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HA )) 3.800 1.800 1.800 peak 3042 weight 0.10000E+01 volume 0.26490E-02 ppm1 4.502 ppm2 4.345 CV 1 ASSI { 3044} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HA )) 2.700 0.900 0.900 peak 3044 weight 0.10000E+01 volume 0.45688E-02 ppm1 4.498 ppm2 3.045 CV 1 ASSI { 3046} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 2.400 0.700 0.700 peak 3046 weight 0.10000E+01 volume 0.66411E-02 ppm1 4.494 ppm2 9.231 CV 1 ASSI { 3128} (( segid " " and resid 133 and name HG )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 3128 weight 0.10000E+01 volume 0.19373E-02 ppm1 5.275 ppm2 1.184 CV 1 ASSI { 3131} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HA )) 4.200 2.200 1.800 peak 3131 weight 0.10000E+01 volume 0.77549E-03 ppm1 4.884 ppm2 4.069 CV 1 ASSI { 3132} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 3132 weight 0.10000E+01 volume 0.59595E-02 ppm1 4.883 ppm2 2.920 CV 1 ASSI { 3133} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.200 0.600 0.600 peak 3133 weight 0.10000E+01 volume 0.59168E-02 ppm1 4.881 ppm2 2.706 CV 1 ASSI { 3134} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 70 and name HA )) 4.700 2.700 1.300 peak 3134 weight 0.10000E+01 volume 0.64870E-03 ppm1 4.882 ppm2 2.376 CV 1 OR { 3134} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 70 and name HA )) ASSI { 3141} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.900 1.900 1.900 peak 3141 weight 0.10000E+01 volume 0.10530E-02 ppm1 4.606 ppm2 2.003 CV 1 OR { 3141} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 3144} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 109 and name HA )) 3.800 1.800 1.800 peak 3144 weight 0.10000E+01 volume 0.77355E-03 ppm1 4.493 ppm2 2.173 CV 1 OR { 3144} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 109 and name HA )) ASSI { 3196} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 63 and name HA )) 4.300 2.300 1.700 peak 3196 weight 0.10000E+01 volume 0.85212E-03 ppm1 4.606 ppm2 2.369 CV 1 OR { 3196} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 63 and name HA )) ASSI { 3330} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HA )) 3.400 1.500 1.500 peak 3330 weight 0.10000E+01 volume 0.13617E-02 ppm1 4.775 ppm2 1.340 CV 1 ASSI { 3331} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 28 and name HA )) 4.900 3.100 1.100 peak 3331 weight 0.10000E+01 volume 0.78304E-03 ppm1 4.747 ppm2 2.101 CV 1 OR { 3331} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 28 and name HA )) ASSI { 3337} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 2.300 0.700 0.700 peak 3337 weight 0.10000E+01 volume 0.15130E-01 ppm1 4.603 ppm2 2.712 CV 1 OR { 3337} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 3341} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.800 0.800 peak 3341 weight 0.10000E+01 volume 0.50817E-02 ppm1 4.179 ppm2 7.811 CV 1 ASSI { 3345} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 23 and name HA )) 4.200 2.200 1.800 peak 3345 weight 0.10000E+01 volume 0.10418E-02 ppm1 4.179 ppm2 0.491 CV 1 ASSI { 3389} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HB1 )) 3.600 1.600 1.600 peak 3389 weight 0.10000E+01 volume 0.76436E-03 ppm1 2.168 ppm2 1.236 CV 1 OR { 3389} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HB2 )) ASSI { 3402} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name HB1 )) 4.400 2.500 1.600 peak 3402 weight 0.10000E+01 volume 0.77337E-03 ppm1 2.159 ppm2 0.670 CV 1 OR { 3402} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name HB2 )) ASSI { 3407} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HD2 )) 4.300 2.300 1.700 peak 3407 weight 0.10000E+01 volume 0.68701E-03 ppm1 1.623 ppm2 8.756 CV 1 ASSI { 3446} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HA )) 3.500 1.500 1.500 peak 3446 weight 0.10000E+01 volume 0.13270E-02 ppm1 4.178 ppm2 2.098 CV 1 OR { 3446} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HA )) ASSI { 3447} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 23 and name HA )) 2.200 0.600 0.600 peak 3447 weight 0.10000E+01 volume 0.14694E-01 ppm1 4.179 ppm2 1.341 CV 1 ASSI { 3491} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB2 )) 2.600 0.800 0.800 peak 3491 weight 0.10000E+01 volume 0.81358E-02 ppm1 2.126 ppm2 4.018 CV 1 ASSI { 3493} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HB2 )) 2.200 0.600 0.600 peak 3493 weight 0.10000E+01 volume 0.17026E-01 ppm1 2.117 ppm2 2.301 CV 1 OR { 3493} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HB2 )) ASSI { 3494} (( segid " " and resid 17 and name HG )) (( segid " " and resid 18 and name HB2 )) 3.300 1.400 1.400 peak 3494 weight 0.10000E+01 volume 0.14746E-02 ppm1 2.122 ppm2 1.704 CV 1 ASSI { 3495} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 18 and name HB1 )) 4.200 2.200 1.800 peak 3495 weight 0.10000E+01 volume 0.70672E-03 ppm1 2.079 ppm2 1.474 CV 1 ASSI { 3496} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB1 )) 4.200 2.200 1.800 peak 3496 weight 0.10000E+01 volume 0.91150E-03 ppm1 2.063 ppm2 8.286 CV 1 ASSI { 3504} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HB2 )) 2.000 0.500 0.500 peak 3504 weight 0.10000E+01 volume 0.20884E-01 ppm1 1.794 ppm2 1.596 CV 1 OR { 3504} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB1 )) OR { 3504} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HB1 )) OR { 3504} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HB2 )) ASSI { 3507} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HD2 )) 3.200 1.300 1.300 peak 3507 weight 0.10000E+01 volume 0.22157E-02 ppm1 1.696 ppm2 3.705 CV 1 OR { 3507} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HD1 )) ASSI { 3508} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD2 )) 5.200 3.300 0.800 peak 3508 weight 0.10000E+01 volume 0.72407E-03 ppm1 1.692 ppm2 8.588 CV 1 OR { 3508} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HD1 )) ASSI { 3517} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HD1 )) 3.500 1.500 1.500 peak 3517 weight 0.10000E+01 volume 0.34014E-02 ppm1 1.606 ppm2 3.690 CV 1 OR { 3517} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HD2 )) ASSI { 3520} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 139 and name HD2 )) 4.000 2.000 2.000 peak 3520 weight 0.10000E+01 volume 0.76280E-03 ppm1 0.987 ppm2 3.684 CV 1 OR { 3520} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 139 and name HD2 )) OR { 3520} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 139 and name HD1 )) OR { 3520} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 139 and name HD1 )) ASSI { 3539} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HA )) 4.300 2.300 1.700 peak 3539 weight 0.10000E+01 volume 0.69828E-03 ppm1 4.605 ppm2 3.969 CV 1 ASSI { 3631} (( segid " " and resid 17 and name HG )) (( segid " " and resid 18 and name HB1 )) 3.800 1.800 1.800 peak 3631 weight 0.10000E+01 volume 0.21101E-02 ppm1 2.058 ppm2 1.732 CV 1 ASSI { 3635} (( segid " " and resid 119 and name HA )) (( segid " " and resid 32 and name HB2 )) 3.500 1.600 1.600 peak 3635 weight 0.10000E+01 volume 0.52654E-02 ppm1 1.793 ppm2 4.726 CV 1 ASSI { 3643} (( segid " " and resid 91 and name HN )) (( segid " " and resid 95 and name HD1 )) 3.900 1.900 1.900 peak 3643 weight 0.10000E+01 volume 0.16837E-02 ppm1 1.606 ppm2 8.263 CV 1 OR { 3643} (( segid " " and resid 91 and name HN )) (( segid " " and resid 95 and name HD2 )) ASSI { 3645} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HD1 )) 3.200 1.300 1.300 peak 3645 weight 0.10000E+01 volume 0.36256E-02 ppm1 1.601 ppm2 7.404 CV 1 OR { 3645} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HD2 )) ASSI { 3648} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HD2 )) 2.900 1.000 1.000 peak 3648 weight 0.10000E+01 volume 0.38268E-02 ppm1 1.604 ppm2 4.388 CV 1 OR { 3648} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HD1 )) ASSI { 3661} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HG11)) 4.000 2.000 2.000 peak 3661 weight 0.10000E+01 volume 0.75351E-03 ppm1 1.155 ppm2 8.341 CV 1 ASSI { 3710} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 3710 weight 0.10000E+01 volume 0.16990E-02 ppm1 3.994 ppm2 7.665 CV 1 ASSI { 3711} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HA )) 4.000 2.000 2.000 peak 3711 weight 0.10000E+01 volume 0.57647E-03 ppm1 3.994 ppm2 7.479 CV 1 ASSI { 3716} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HA )) 4.000 2.000 2.000 peak 3716 weight 0.10000E+01 volume 0.11288E-02 ppm1 3.991 ppm2 1.787 CV 1 OR { 3716} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HA )) ASSI { 3717} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 78 and name HA )) 3.400 1.500 1.500 peak 3717 weight 0.10000E+01 volume 0.11168E-02 ppm1 3.994 ppm2 1.613 CV 1 ASSI { 3718} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 78 and name HA )) 4.200 2.200 1.800 peak 3718 weight 0.10000E+01 volume 0.67447E-03 ppm1 3.992 ppm2 1.276 CV 1 ASSI { 3794} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.900 1.000 1.000 peak 3794 weight 0.10000E+01 volume 0.27598E-02 ppm1 2.044 ppm2 9.049 CV 1 ASSI { 3799} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.200 1.300 1.300 peak 3799 weight 0.10000E+01 volume 0.20386E-02 ppm1 1.959 ppm2 7.830 CV 1 ASSI { 3800} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB1 )) 2.600 0.900 0.900 peak 3800 weight 0.10000E+01 volume 0.52293E-02 ppm1 1.958 ppm2 4.066 CV 1 ASSI { 3802} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HB1 )) 2.300 0.600 0.600 peak 3802 weight 0.10000E+01 volume 0.99150E-02 ppm1 1.961 ppm2 2.325 CV 1 OR { 3802} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 88 and name HB1 )) ASSI { 3814} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG12)) 4.200 2.300 1.800 peak 3814 weight 0.10000E+01 volume 0.95419E-03 ppm1 1.676 ppm2 4.352 CV 1 ASSI { 3817} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HG12)) 3.700 1.700 1.700 peak 3817 weight 0.10000E+01 volume 0.11991E-02 ppm1 1.677 ppm2 2.269 CV 1 OR { 3817} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 16 and name HG12)) OR { 3817} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 16 and name HG12)) ASSI { 3818} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HD1 )) 2.000 0.500 0.500 peak 3818 weight 0.10000E+01 volume 0.34984E-01 ppm1 1.603 ppm2 1.332 CV 1 OR { 3818} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HD2 )) ASSI { 3821} (( segid " " and resid 100 and name HG )) (( segid " " and resid 71 and name HG11)) 4.600 2.600 1.400 peak 3821 weight 0.10000E+01 volume 0.59961E-03 ppm1 1.379 ppm2 1.160 CV 1 ASSI { 3827} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 53 and name HG11)) 3.200 1.300 1.300 peak 3827 weight 0.10000E+01 volume 0.24474E-02 ppm1 1.209 ppm2 3.476 CV 1 ASSI { 3828} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 53 and name HG11)) 3.600 1.600 1.600 peak 3828 weight 0.10000E+01 volume 0.10088E-02 ppm1 1.207 ppm2 2.442 CV 1 ASSI { 3891} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 32 and name HB1 )) 3.800 1.800 1.800 peak 3891 weight 0.10000E+01 volume 0.24300E-02 ppm1 2.188 ppm2 0.916 CV 1 ASSI { 3898} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 0.900 0.900 peak 3898 weight 0.10000E+01 volume 0.29233E-02 ppm1 1.799 ppm2 4.451 CV 1 ASSI { 3899} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HB2 )) 2.600 0.900 0.900 peak 3899 weight 0.10000E+01 volume 0.42811E-02 ppm1 1.799 ppm2 2.407 CV 1 OR { 3899} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HB2 )) ASSI { 3900} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HB2 )) 1.600 0.300 0.600 peak 3900 weight 0.10000E+01 volume 0.13791E-01 ppm1 1.795 ppm2 2.195 CV 1 ASSI { 3901} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 32 and name HB2 )) 3.300 1.400 1.400 peak 3901 weight 0.10000E+01 volume 0.30674E-02 ppm1 1.797 ppm2 0.912 CV 1 ASSI { 3910} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 71 and name HG11)) 1.500 0.300 0.700 peak 3910 weight 0.10000E+01 volume 0.12968E-01 ppm1 1.355 ppm2 1.593 CV 1 ASSI { 3965} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HD1 )) 4.400 2.500 1.600 peak 3965 weight 0.10000E+01 volume 0.17037E-02 ppm1 1.585 ppm2 7.667 CV 1 OR { 3965} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HD2 )) ASSI { 3966} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HD1 )) 3.700 1.700 1.700 peak 3966 weight 0.10000E+01 volume 0.25176E-02 ppm1 1.586 ppm2 4.073 CV 1 OR { 3966} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 3970} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG11)) 3.900 1.900 1.900 peak 3970 weight 0.10000E+01 volume 0.10137E-02 ppm1 1.364 ppm2 9.095 CV 1 ASSI { 3972} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 71 and name HG11)) 3.000 1.100 1.100 peak 3972 weight 0.10000E+01 volume 0.17138E-02 ppm1 1.362 ppm2 7.666 CV 1 ASSI { 3973} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 71 and name HG11)) 4.000 2.100 2.000 peak 3973 weight 0.10000E+01 volume 0.65134E-03 ppm1 1.362 ppm2 7.310 CV 1 ASSI { 3981} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HB2 )) 1.900 0.500 0.500 peak 3981 weight 0.10000E+01 volume 0.57939E-02 ppm1 0.682 ppm2 -0.490 CV 1 ASSI { 3983} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.900 1.900 1.900 peak 3983 weight 0.10000E+01 volume 0.63526E-03 ppm1 0.676 ppm2 5.213 CV 1 ASSI { 3984} (( segid " " and resid 84 and name HA )) (( segid " " and resid 82 and name HB2 )) 4.400 2.400 1.600 peak 3984 weight 0.10000E+01 volume 0.78450E-03 ppm1 0.678 ppm2 4.723 CV 1 ASSI { 3988} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 4.600 2.700 1.400 peak 3988 weight 0.10000E+01 volume 0.63885E-03 ppm1 -0.486 ppm2 5.215 CV 1 ASSI { 3989} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HB1 )) 2.600 0.800 0.800 peak 3989 weight 0.10000E+01 volume 0.23363E-02 ppm1 -0.487 ppm2 1.695 CV 1 ASSI { 4004} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 42 and name HA )) 2.400 0.700 0.700 peak 4004 weight 0.10000E+01 volume 0.73958E-02 ppm1 5.496 ppm2 7.174 CV 1 ASSI { 4008} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 4008 weight 0.10000E+01 volume 0.17039E-02 ppm1 5.495 ppm2 3.401 CV 1 ASSI { 4009} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 4009 weight 0.10000E+01 volume 0.27621E-02 ppm1 5.496 ppm2 2.982 CV 1 ASSI { 4011} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HA )) 4.900 3.000 1.100 peak 4011 weight 0.10000E+01 volume 0.83745E-03 ppm1 5.496 ppm2 2.058 CV 1 OR { 4011} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 42 and name HA )) ASSI { 4023} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) 2.800 1.000 1.000 peak 4023 weight 0.10000E+01 volume 0.42440E-02 ppm1 4.244 ppm2 8.331 CV 1 ASSI { 4078} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 82 and name HA )) 4.000 2.000 2.000 peak 4078 weight 0.10000E+01 volume 0.67015E-03 ppm1 4.184 ppm2 2.696 CV 1 OR { 4078} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 82 and name HA )) ASSI { 4080} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 3.200 1.300 1.300 peak 4080 weight 0.10000E+01 volume 0.19419E-02 ppm1 4.181 ppm2 8.814 CV 1 ASSI { 4081} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 3.000 1.100 1.100 peak 4081 weight 0.10000E+01 volume 0.18033E-02 ppm1 4.183 ppm2 5.215 CV 1 ASSI { 4083} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HA )) 3.400 1.400 1.400 peak 4083 weight 0.10000E+01 volume 0.30912E-02 ppm1 4.182 ppm2 1.675 CV 1 ASSI { 4118} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 3.000 1.100 1.100 peak 4118 weight 0.10000E+01 volume 0.43712E-02 ppm1 4.182 ppm2 0.678 CV 1 ASSI { 4119} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) 2.700 0.900 0.900 peak 4119 weight 0.10000E+01 volume 0.27974E-02 ppm1 4.182 ppm2 -0.491 CV 1 ASSI { 4151} (( segid " " and resid 68 and name HA )) (( segid " " and resid 62 and name HB1 )) 4.700 2.800 1.300 peak 4151 weight 0.10000E+01 volume 0.67281E-03 ppm1 1.989 ppm2 4.731 CV 1 ASSI { 4153} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.400 0.700 0.700 peak 4153 weight 0.10000E+01 volume 0.45979E-02 ppm1 1.909 ppm2 3.845 CV 1 ASSI { 4196} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 4196 weight 0.10000E+01 volume 0.21885E-02 ppm1 2.079 ppm2 8.500 CV 1 ASSI { 4199} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 4199 weight 0.10000E+01 volume 0.90630E-03 ppm1 2.016 ppm2 0.905 CV 1 ASSI { 4260} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HG2 )) 4.700 2.800 1.300 peak 4260 weight 0.10000E+01 volume 0.90200E-03 ppm1 2.077 ppm2 4.749 CV 1 ASSI { 4263} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.500 0.800 0.800 peak 4263 weight 0.10000E+01 volume 0.42161E-02 ppm1 2.029 ppm2 7.839 CV 1 ASSI { 4266} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 89 and name HB1 )) 4.700 2.800 1.300 peak 4266 weight 0.10000E+01 volume 0.11766E-02 ppm1 1.714 ppm2 1.322 CV 1 ASSI { 4270} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 89 and name HB1 )) 3.600 1.700 1.700 peak 4270 weight 0.10000E+01 volume 0.18968E-02 ppm1 1.695 ppm2 2.150 CV 1 ASSI { 4272} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HG )) 2.400 0.700 0.700 peak 4272 weight 0.10000E+01 volume 0.50788E-02 ppm1 1.637 ppm2 0.711 CV 1 ASSI { 4358} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 84 and name HB2 )) 3.000 1.100 1.100 peak 4358 weight 0.10000E+01 volume 0.17835E-02 ppm1 3.631 ppm2 7.386 CV 1 ASSI { 4361} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 2.700 0.900 0.900 peak 4361 weight 0.10000E+01 volume 0.61246E-02 ppm1 3.630 ppm2 4.757 CV 1 ASSI { 4363} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HB2 )) 1.800 0.400 0.400 peak 4363 weight 0.10000E+01 volume 0.15277E-01 ppm1 3.630 ppm2 3.161 CV 1 ASSI { 4366} (( segid " " and resid 84 and name HZ3 )) (( segid " " and resid 84 and name HB1 )) 4.200 2.200 1.800 peak 4366 weight 0.10000E+01 volume 0.20863E-02 ppm1 3.163 ppm2 7.673 CV 1 ASSI { 4367} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 84 and name HB1 )) 3.800 1.800 1.800 peak 4367 weight 0.10000E+01 volume 0.18279E-02 ppm1 3.163 ppm2 7.388 CV 1 ASSI { 4369} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.200 1.300 1.300 peak 4369 weight 0.10000E+01 volume 0.18553E-02 ppm1 3.162 ppm2 6.729 CV 1 ASSI { 4370} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.400 0.700 0.700 peak 4370 weight 0.10000E+01 volume 0.59580E-02 ppm1 3.163 ppm2 4.757 CV 1 ASSI { 4372} (( segid " " and resid 128 and name HB )) (( segid " " and resid 129 and name HG2 )) 4.600 2.600 1.400 peak 4372 weight 0.10000E+01 volume 0.58039E-03 ppm1 2.101 ppm2 4.821 CV 1 OR { 4372} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HG2 )) ASSI { 4373} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HB1 )) 4.100 2.100 1.900 peak 4373 weight 0.10000E+01 volume 0.92261E-03 ppm1 2.092 ppm2 7.553 CV 1 OR { 4373} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HB2 )) ASSI { 4381} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 4381 weight 0.10000E+01 volume 0.35921E-02 ppm1 1.965 ppm2 7.839 CV 1 ASSI { 4382} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 19 and name HB2 )) 4.000 2.000 2.000 peak 4382 weight 0.10000E+01 volume 0.23241E-02 ppm1 1.964 ppm2 0.683 CV 1 ASSI { 4387} (( segid " " and resid 90 and name HA )) (( segid " " and resid 89 and name HB1 )) 3.900 1.900 1.900 peak 4387 weight 0.10000E+01 volume 0.83705E-03 ppm1 1.703 ppm2 4.721 CV 1 ASSI { 4388} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HD1 )) 2.500 0.800 0.800 peak 4388 weight 0.10000E+01 volume 0.59808E-02 ppm1 1.697 ppm2 2.890 CV 1 OR { 4388} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HD2 )) OR { 4388} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HD2 )) OR { 4388} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HD1 )) ASSI { 4391} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HG )) 2.500 0.800 0.800 peak 4391 weight 0.10000E+01 volume 0.36893E-02 ppm1 1.633 ppm2 0.978 CV 1 ASSI { 4393} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HG )) 3.000 1.100 1.100 peak 4393 weight 0.10000E+01 volume 0.19362E-02 ppm1 1.627 ppm2 9.334 CV 1 ASSI { 4394} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HG )) 4.800 2.900 1.200 peak 4394 weight 0.10000E+01 volume 0.65912E-03 ppm1 1.628 ppm2 8.633 CV 1 ASSI { 4395} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 115 and name HG )) 3.700 1.700 1.700 peak 4395 weight 0.10000E+01 volume 0.11254E-02 ppm1 1.627 ppm2 6.996 CV 1 ASSI { 4398} (( segid " " and resid 66 and name HA )) (( segid " " and resid 115 and name HG )) 4.500 2.500 1.500 peak 4398 weight 0.10000E+01 volume 0.57233E-03 ppm1 1.626 ppm2 5.607 CV 1 ASSI { 4399} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HG )) 2.800 1.000 1.000 peak 4399 weight 0.10000E+01 volume 0.24140E-02 ppm1 1.629 ppm2 5.271 CV 1 ASSI { 4401} (( segid " " and resid 68 and name HA )) (( segid " " and resid 115 and name HG )) 4.200 2.200 1.800 peak 4401 weight 0.10000E+01 volume 0.65413E-03 ppm1 1.622 ppm2 4.739 CV 1 ASSI { 4420} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 4420 weight 0.10000E+01 volume 0.18098E-02 ppm1 4.827 ppm2 1.832 CV 1 OR { 4420} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) ASSI { 4421} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 107 and name HA )) 4.600 2.700 1.400 peak 4421 weight 0.10000E+01 volume 0.78975E-03 ppm1 4.825 ppm2 1.556 CV 1 OR { 4421} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 107 and name HA )) OR { 4421} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 107 and name HA )) ASSI { 4422} (( segid " " and resid 107 and name HG )) (( segid " " and resid 107 and name HA )) 3.800 1.800 1.800 peak 4422 weight 0.10000E+01 volume 0.11148E-02 ppm1 4.826 ppm2 1.386 CV 1 ASSI { 4424} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 107 and name HA )) 4.300 2.300 1.700 peak 4424 weight 0.10000E+01 volume 0.18116E-02 ppm1 4.827 ppm2 0.795 CV 1 ASSI { 4425} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 107 and name HA )) 3.300 1.300 1.300 peak 4425 weight 0.10000E+01 volume 0.42905E-02 ppm1 4.828 ppm2 0.536 CV 1 ASSI { 4426} (( segid " " and resid 110 and name HD1 )) (( segid " " and resid 107 and name HA )) 4.900 3.000 1.100 peak 4426 weight 0.10000E+01 volume 0.63834E-03 ppm1 4.813 ppm2 3.649 CV 1 ASSI { 4542} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.700 1.700 1.700 peak 4542 weight 0.10000E+01 volume 0.19174E-02 ppm1 1.709 ppm2 7.828 CV 1 ASSI { 4543} (( segid " " and resid 85 and name HA )) (( segid " " and resid 89 and name HB1 )) 4.500 2.600 1.500 peak 4543 weight 0.10000E+01 volume 0.99680E-03 ppm1 1.711 ppm2 4.314 CV 1 ASSI { 4583} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 84 and name HD1 )) 4.100 2.100 1.900 peak 4583 weight 0.10000E+01 volume 0.60033E-03 ppm1 7.385 ppm2 7.215 CV 1 ASSI { 4593} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.800 1.800 1.800 peak 4593 weight 0.10000E+01 volume 0.11419E-02 ppm1 1.708 ppm2 8.691 CV 1 ASSI { 4599} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HB2 )) 2.600 0.800 0.800 peak 4599 weight 0.10000E+01 volume 0.99312E-03 ppm1 0.774 ppm2 8.692 CV 1 ASSI { 4602} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 89 and name HB2 )) 3.700 1.700 1.700 peak 4602 weight 0.10000E+01 volume 0.86799E-03 ppm1 0.773 ppm2 6.469 CV 1 ASSI { 4603} (( segid " " and resid 85 and name HA )) (( segid " " and resid 89 and name HB2 )) 4.200 2.300 1.800 peak 4603 weight 0.10000E+01 volume 0.83290E-03 ppm1 0.772 ppm2 4.317 CV 1 ASSI { 4605} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 89 and name HB2 )) 3.700 1.700 1.700 peak 4605 weight 0.10000E+01 volume 0.79952E-03 ppm1 0.774 ppm2 3.161 CV 1 ASSI { 4606} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 89 and name HB2 )) 2.800 1.000 1.000 peak 4606 weight 0.10000E+01 volume 0.13324E-02 ppm1 0.774 ppm2 2.961 CV 1 ASSI { 4607} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 89 and name HB2 )) 2.300 0.700 0.700 peak 4607 weight 0.10000E+01 volume 0.46668E-02 ppm1 0.771 ppm2 1.962 CV 1 OR { 4607} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HB2 )) ASSI { 4608} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HB2 )) 1.700 0.300 0.500 peak 4608 weight 0.10000E+01 volume 0.64750E-02 ppm1 0.774 ppm2 1.708 CV 1 ASSI { 4642} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.600 1.600 1.600 peak 4642 weight 0.10000E+01 volume 0.64205E-03 ppm1 2.011 ppm2 8.612 CV 1 ASSI { 4645} (( segid " " and resid 72 and name HA )) (( segid " " and resid 110 and name HG2 )) 4.300 2.300 1.700 peak 4645 weight 0.10000E+01 volume 0.17251E-02 ppm1 1.468 ppm2 4.424 CV 1 OR { 4645} (( segid " " and resid 72 and name HA )) (( segid " " and resid 110 and name HG1 )) ASSI { 4646} (( segid " " and resid 71 and name HA )) (( segid " " and resid 110 and name HG2 )) 4.500 2.500 1.500 peak 4646 weight 0.10000E+01 volume 0.77398E-03 ppm1 1.472 ppm2 4.070 CV 1 OR { 4646} (( segid " " and resid 71 and name HA )) (( segid " " and resid 110 and name HG1 )) ASSI { 4647} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 110 and name HG2 )) 4.300 2.300 1.700 peak 4647 weight 0.10000E+01 volume 0.90553E-03 ppm1 1.467 ppm2 2.326 CV 1 OR { 4647} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 110 and name HG2 )) OR { 4647} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 110 and name HG1 )) OR { 4647} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 110 and name HG1 )) ASSI { 4687} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HG2 )) 2.400 0.700 0.700 peak 4687 weight 0.10000E+01 volume 0.64100E-02 ppm1 2.021 ppm2 2.245 CV 1 OR { 4687} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HG2 )) ASSI { 4688} (( segid " " and resid 117 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.400 1.500 1.500 peak 4688 weight 0.10000E+01 volume 0.76231E-03 ppm1 2.009 ppm2 8.059 CV 1 ASSI { 4689} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HG2 )) 4.700 2.700 1.300 peak 4689 weight 0.10000E+01 volume 0.12447E-02 ppm1 2.017 ppm2 4.595 CV 1 ASSI { 4690} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG2 )) 3.800 1.800 1.800 peak 4690 weight 0.10000E+01 volume 0.19479E-02 ppm1 2.015 ppm2 4.456 CV 1 ASSI { 4691} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HG2 )) 2.300 0.600 0.600 peak 4691 weight 0.10000E+01 volume 0.40144E-02 ppm1 2.015 ppm2 4.066 CV 1 ASSI { 4692} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HG2 )) 3.000 1.100 1.100 peak 4692 weight 0.10000E+01 volume 0.34567E-02 ppm1 2.013 ppm2 3.462 CV 1 ASSI { 4693} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 65 and name HG2 )) 5.100 3.200 0.900 peak 4693 weight 0.10000E+01 volume 0.62201E-03 ppm1 2.018 ppm2 1.451 CV 1 ASSI { 4697} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 65 and name HG1 )) 5.100 3.200 0.900 peak 4697 weight 0.10000E+01 volume 0.88140E-03 ppm1 1.972 ppm2 1.441 CV 1 ASSI { 4698} (( segid " " and resid 117 and name HN )) (( segid " " and resid 65 and name HG1 )) 4.000 2.000 2.000 peak 4698 weight 0.10000E+01 volume 0.79761E-03 ppm1 1.967 ppm2 8.061 CV 1 ASSI { 4699} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG1 )) 3.700 1.700 1.700 peak 4699 weight 0.10000E+01 volume 0.20266E-02 ppm1 1.966 ppm2 4.453 CV 1 ASSI { 4701} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 65 and name HG1 )) 4.300 2.300 1.700 peak 4701 weight 0.10000E+01 volume 0.94920E-03 ppm1 1.967 ppm2 3.762 CV 1 ASSI { 4702} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HG1 )) 2.400 0.700 0.700 peak 4702 weight 0.10000E+01 volume 0.37692E-02 ppm1 1.966 ppm2 3.462 CV 1 ASSI { 4704} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 65 and name HG1 )) 2.300 0.700 0.700 peak 4704 weight 0.10000E+01 volume 0.73595E-02 ppm1 1.963 ppm2 1.837 CV 1 ASSI { 4732} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HD1 )) 3.600 1.700 1.700 peak 4732 weight 0.10000E+01 volume 0.95936E-03 ppm1 7.172 ppm2 6.068 CV 1 ASSI { 4754} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 41 and name HG )) 3.700 1.700 1.700 peak 4754 weight 0.10000E+01 volume 0.98792E-03 ppm1 1.801 ppm2 1.019 CV 1 ASSI { 4757} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG )) 3.000 1.100 1.100 peak 4757 weight 0.10000E+01 volume 0.20881E-02 ppm1 1.791 ppm2 0.812 CV 1 ASSI { 4865} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 42 and name HB1 )) 3.100 1.200 1.200 peak 4865 weight 0.10000E+01 volume 0.12535E-02 ppm1 3.399 ppm2 7.191 CV 1 ASSI { 4868} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HB1 )) 3.400 1.400 1.400 peak 4868 weight 0.10000E+01 volume 0.64169E-03 ppm1 3.394 ppm2 3.889 CV 1 OR { 4868} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HB1 )) ASSI { 4869} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB1 )) 2.000 0.500 0.500 peak 4869 weight 0.10000E+01 volume 0.41920E-02 ppm1 3.398 ppm2 2.985 CV 1 ASSI { 4870} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 42 and name HB1 )) 3.800 1.800 1.800 peak 4870 weight 0.10000E+01 volume 0.63626E-03 ppm1 3.399 ppm2 2.207 CV 1 ASSI { 4874} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 42 and name HB2 )) 3.700 1.700 1.700 peak 4874 weight 0.10000E+01 volume 0.13948E-02 ppm1 2.986 ppm2 7.187 CV 1 ASSI { 4876} (( segid " " and resid 45 and name HA )) (( segid " " and resid 42 and name HB2 )) 4.300 2.300 1.700 peak 4876 weight 0.10000E+01 volume 0.85432E-03 ppm1 2.988 ppm2 4.720 CV 1 ASSI { 4877} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HB2 )) 3.400 1.400 1.400 peak 4877 weight 0.10000E+01 volume 0.82660E-03 ppm1 2.989 ppm2 3.892 CV 1 OR { 4877} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HB2 )) ASSI { 4886} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HB1 )) 5.900 4.400 0.100 peak 4886 weight 0.10000E+01 volume 0.65635E-03 ppm1 1.700 ppm2 9.011 CV 1 ASSI { 4891} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 125 and name HG12)) 2.900 1.000 1.000 peak 4891 weight 0.10000E+01 volume 0.16587E-02 ppm1 0.867 ppm2 6.528 CV 1 OR { 4891} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 125 and name HG11)) ASSI { 4893} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 125 and name HG11)) 4.700 2.700 1.300 peak 4893 weight 0.10000E+01 volume 0.70503E-03 ppm1 0.866 ppm2 5.950 CV 1 OR { 4893} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 125 and name HG12)) ASSI { 4894} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 125 and name HG12)) 4.900 2.900 1.100 peak 4894 weight 0.10000E+01 volume 0.63823E-03 ppm1 0.868 ppm2 2.793 CV 1 OR { 4894} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 125 and name HG11)) ASSI { 4895} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 125 and name HG11)) 4.300 2.300 1.700 peak 4895 weight 0.10000E+01 volume 0.90740E-03 ppm1 0.870 ppm2 2.643 CV 1 OR { 4895} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 125 and name HG12)) ASSI { 4896} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG11)) 2.200 0.600 0.600 peak 4896 weight 0.10000E+01 volume 0.63125E-02 ppm1 0.870 ppm2 1.694 CV 1 OR { 4896} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HG12)) ASSI { 4902} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 132 and name HA )) 2.400 0.700 0.700 peak 4902 weight 0.10000E+01 volume 0.32901E-02 ppm1 5.643 ppm2 7.984 CV 1 ASSI { 4903} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 4903 weight 0.10000E+01 volume 0.37249E-02 ppm1 5.644 ppm2 7.776 CV 1 ASSI { 4908} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 4908 weight 0.10000E+01 volume 0.17678E-02 ppm1 5.644 ppm2 5.119 CV 1 ASSI { 4910} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HA )) 2.900 1.100 1.100 peak 4910 weight 0.10000E+01 volume 0.29845E-02 ppm1 5.643 ppm2 3.038 CV 1 ASSI { 4911} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.900 1.000 1.000 peak 4911 weight 0.10000E+01 volume 0.23309E-02 ppm1 5.644 ppm2 2.085 CV 1 ASSI { 4965} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG12)) 3.400 1.400 1.400 peak 4965 weight 0.10000E+01 volume 0.60926E-03 ppm1 0.869 ppm2 8.868 CV 1 OR { 4965} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG11)) ASSI { 4967} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HG12)) 2.200 0.600 0.600 peak 4967 weight 0.10000E+01 volume 0.53330E-02 ppm1 0.871 ppm2 0.652 CV 1 OR { 4967} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HG11)) ASSI { 4968} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 125 and name HG11)) 3.800 1.800 1.800 peak 4968 weight 0.10000E+01 volume 0.60957E-03 ppm1 0.866 ppm2 0.445 CV 1 OR { 4968} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 125 and name HG12)) OR { 4968} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 125 and name HG11)) OR { 4968} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 125 and name HG12)) ASSI { 4969} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 125 and name HG12)) 3.700 1.700 1.700 peak 4969 weight 0.10000E+01 volume 0.69042E-03 ppm1 0.857 ppm2 1.020 CV 1 OR { 4969} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 125 and name HG11)) ASSI { 5018} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 125 and name HG11)) 3.600 1.600 1.600 peak 5018 weight 0.10000E+01 volume 0.97566E-03 ppm1 0.879 ppm2 1.508 CV 1 OR { 5018} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 125 and name HG12)) ASSI { 5049} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HB1 )) 4.000 2.000 2.000 peak 5049 weight 0.10000E+01 volume 0.20459E-02 ppm1 2.388 ppm2 4.198 CV 1 ASSI { 5050} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) 2.800 1.000 1.000 peak 5050 weight 0.10000E+01 volume 0.22641E-02 ppm1 2.390 ppm2 3.937 CV 1 ASSI { 5051} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HB1 )) 2.600 0.800 0.800 peak 5051 weight 0.10000E+01 volume 0.23147E-02 ppm1 2.387 ppm2 2.701 CV 1 ASSI { 5053} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HB1 )) 5.000 3.100 1.000 peak 5053 weight 0.10000E+01 volume 0.72543E-03 ppm1 2.387 ppm2 1.239 CV 1 ASSI { 5055} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HB1 )) 1.800 0.400 0.400 peak 5055 weight 0.10000E+01 volume 0.88160E-02 ppm1 2.386 ppm2 2.059 CV 1 ASSI { 5059} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 5059 weight 0.10000E+01 volume 0.14688E-02 ppm1 2.062 ppm2 8.001 CV 1 ASSI { 5062} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 5062 weight 0.10000E+01 volume 0.31516E-02 ppm1 2.060 ppm2 3.933 CV 1 ASSI { 5063} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 5063 weight 0.10000E+01 volume 0.24602E-02 ppm1 2.062 ppm2 2.704 CV 1 ASSI { 5067} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 97 and name HB2 )) 4.300 2.300 1.700 peak 5067 weight 0.10000E+01 volume 0.57852E-03 ppm1 2.067 ppm2 1.570 CV 1 ASSI { 5110} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HG )) 4.000 2.000 2.000 peak 5110 weight 0.10000E+01 volume 0.11070E-02 ppm1 1.713 ppm2 4.063 CV 1 ASSI { 5111} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG )) 3.300 1.300 1.300 peak 5111 weight 0.10000E+01 volume 0.19615E-02 ppm1 1.716 ppm2 3.745 CV 1 ASSI { 5113} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG )) 2.400 0.700 0.700 peak 5113 weight 0.10000E+01 volume 0.71954E-02 ppm1 1.714 ppm2 1.531 CV 1 OR { 5113} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG )) ASSI { 5127} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 120 and name HG )) 4.800 2.900 1.200 peak 5127 weight 0.10000E+01 volume 0.72745E-03 ppm1 1.457 ppm2 2.866 CV 1 ASSI { 5129} (( segid " " and resid 140 and name HB )) (( segid " " and resid 120 and name HG )) 2.700 0.900 0.900 peak 5129 weight 0.10000E+01 volume 0.62142E-02 ppm1 1.456 ppm2 1.751 CV 1 ASSI { 5132} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HG )) 2.400 0.700 0.700 peak 5132 weight 0.10000E+01 volume 0.44528E-02 ppm1 1.457 ppm2 0.611 CV 1 ASSI { 5173} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 120 and name HG )) 2.400 0.700 0.700 peak 5173 weight 0.10000E+01 volume 0.44536E-02 ppm1 1.453 ppm2 1.658 CV 1 OR { 5173} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 120 and name HG )) ASSI { 5175} (( segid " " and resid 26 and name HN )) (( segid " " and resid 104 and name HG2 )) 4.600 2.600 1.400 peak 5175 weight 0.10000E+01 volume 0.57297E-03 ppm1 1.315 ppm2 8.832 CV 1 OR { 5175} (( segid " " and resid 26 and name HN )) (( segid " " and resid 104 and name HG1 )) ASSI { 5176} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HG1 )) 4.500 2.600 1.500 peak 5176 weight 0.10000E+01 volume 0.63954E-03 ppm1 1.315 ppm2 8.501 CV 1 OR { 5176} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 5179} (( segid " " and resid 20 and name HG )) (( segid " " and resid 104 and name HG2 )) 3.400 1.400 1.400 peak 5179 weight 0.10000E+01 volume 0.44154E-02 ppm1 1.316 ppm2 0.971 CV 1 OR { 5179} (( segid " " and resid 20 and name HG )) (( segid " " and resid 104 and name HG1 )) ASSI { 5217} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 104 and name HG1 )) 3.400 1.400 1.400 peak 5217 weight 0.10000E+01 volume 0.65919E-03 ppm1 1.309 ppm2 2.679 CV 1 OR { 5217} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 104 and name HG2 )) ASSI { 5218} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 104 and name HG1 )) 4.700 2.800 1.300 peak 5218 weight 0.10000E+01 volume 0.60440E-03 ppm1 1.312 ppm2 2.177 CV 1 OR { 5218} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 104 and name HG1 )) OR { 5218} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 104 and name HG2 )) OR { 5218} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 5242} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 42 and name HZ3 )) 4.500 2.500 1.500 peak 5242 weight 0.10000E+01 volume 0.85468E-03 ppm1 6.169 ppm2 0.874 CV 1 ASSI { 5244} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 42 and name HZ3 )) 2.800 1.000 1.000 peak 5244 weight 0.10000E+01 volume 0.28279E-02 ppm1 6.169 ppm2 0.440 CV 1 OR { 5244} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 42 and name HZ3 )) ASSI { 5255} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 99 and name HG )) 3.700 1.800 1.800 peak 5255 weight 0.10000E+01 volume 0.14864E-02 ppm1 1.947 ppm2 0.694 CV 1 ASSI { 5273} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) 2.800 1.000 1.000 peak 5273 weight 0.10000E+01 volume 0.21422E-02 ppm1 1.311 ppm2 3.981 CV 1 OR { 5273} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG1 )) ASSI { 5274} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG1 )) 2.200 0.600 0.600 peak 5274 weight 0.10000E+01 volume 0.10636E-01 ppm1 1.308 ppm2 1.633 CV 1 OR { 5274} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HG2 )) ASSI { 5288} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HD2 )) 3.500 1.500 1.500 peak 5288 weight 0.10000E+01 volume 0.98981E-03 ppm1 4.055 ppm2 8.321 CV 1 OR { 5288} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HD1 )) ASSI { 5291} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HD1 )) 4.100 2.100 1.900 peak 5291 weight 0.10000E+01 volume 0.14046E-02 ppm1 4.050 ppm2 2.455 CV 1 OR { 5291} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HD2 )) ASSI { 5295} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 81 and name HD1 )) 1.700 0.400 0.500 peak 5295 weight 0.10000E+01 volume 0.13014E-01 ppm1 3.897 ppm2 3.786 CV 1 ASSI { 5296} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 81 and name HD1 )) 4.000 2.000 2.000 peak 5296 weight 0.10000E+01 volume 0.11952E-02 ppm1 3.897 ppm2 2.263 CV 1 OR { 5296} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HD1 )) ASSI { 5298} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 81 and name HD1 )) 3.200 1.300 1.300 peak 5298 weight 0.10000E+01 volume 0.18100E-02 ppm1 3.899 ppm2 0.827 CV 1 ASSI { 5301} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HD1 )) 2.700 0.900 0.900 peak 5301 weight 0.10000E+01 volume 0.57860E-02 ppm1 3.896 ppm2 1.955 CV 1 ASSI { 5306} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HD2 )) 3.900 1.900 1.900 peak 5306 weight 0.10000E+01 volume 0.12218E-02 ppm1 3.775 ppm2 2.256 CV 1 OR { 5306} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 81 and name HD2 )) ASSI { 5307} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HD2 )) 2.200 0.600 0.600 peak 5307 weight 0.10000E+01 volume 0.66372E-02 ppm1 3.774 ppm2 1.951 CV 1 ASSI { 5308} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 81 and name HD2 )) 3.600 1.600 1.600 peak 5308 weight 0.10000E+01 volume 0.39356E-02 ppm1 3.774 ppm2 1.160 CV 1 ASSI { 5339} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 81 and name HG2 )) 1.600 0.300 0.600 peak 5339 weight 0.10000E+01 volume 0.19940E-01 ppm1 1.945 ppm2 1.773 CV 1 ASSI { 5341} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HG1 )) 2.100 0.600 0.600 peak 5341 weight 0.10000E+01 volume 0.13465E-01 ppm1 1.607 ppm2 1.788 CV 1 OR { 5341} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HG1 )) ASSI { 5350} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HG )) 3.300 1.300 1.300 peak 5350 weight 0.10000E+01 volume 0.10776E-02 ppm1 1.011 ppm2 1.548 CV 1 ASSI { 5382} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 65 and name HD2 )) 2.900 1.100 1.100 peak 5382 weight 0.10000E+01 volume 0.21388E-02 ppm1 4.076 ppm2 3.795 CV 1 ASSI { 5388} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 129 and name HD1 )) 4.400 2.500 1.600 peak 5388 weight 0.10000E+01 volume 0.57292E-03 ppm1 4.050 ppm2 1.181 CV 1 OR { 5388} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 129 and name HD2 )) ASSI { 5423} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG1 )) 3.500 1.500 1.500 peak 5423 weight 0.10000E+01 volume 0.22684E-02 ppm1 1.603 ppm2 4.094 CV 1 ASSI { 5424} (( segid " " and resid 77 and name HD1 )) (( segid " " and resid 77 and name HG1 )) 2.600 0.800 0.800 peak 5424 weight 0.10000E+01 volume 0.59124E-02 ppm1 1.603 ppm2 3.088 CV 1 OR { 5424} (( segid " " and resid 77 and name HD2 )) (( segid " " and resid 77 and name HG1 )) ASSI { 5425} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG2 )) 3.400 1.500 1.500 peak 5425 weight 0.10000E+01 volume 0.65965E-03 ppm1 1.545 ppm2 8.012 CV 1 ASSI { 5427} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG2 )) 3.600 1.600 1.600 peak 5427 weight 0.10000E+01 volume 0.20778E-02 ppm1 1.546 ppm2 4.096 CV 1 ASSI { 5428} (( segid " " and resid 77 and name HD1 )) (( segid " " and resid 77 and name HG2 )) 2.400 0.700 0.700 peak 5428 weight 0.10000E+01 volume 0.60819E-02 ppm1 1.548 ppm2 3.088 CV 1 OR { 5428} (( segid " " and resid 77 and name HD2 )) (( segid " " and resid 77 and name HG2 )) ASSI { 5429} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HG2 )) 2.200 0.600 0.600 peak 5429 weight 0.10000E+01 volume 0.14209E-01 ppm1 1.546 ppm2 1.780 CV 1 OR { 5429} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HG2 )) ASSI { 5441} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HB2 )) 4.600 2.600 1.400 peak 5441 weight 0.10000E+01 volume 0.90850E-03 ppm1 0.277 ppm2 3.027 CV 1 OR { 5441} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 5444} (( segid " " and resid 42 and name HZ3 )) (( segid " " and resid 57 and name HB2 )) 3.200 1.300 1.300 peak 5444 weight 0.10000E+01 volume 0.85801E-03 ppm1 0.271 ppm2 6.175 CV 1 OR { 5444} (( segid " " and resid 42 and name HZ3 )) (( segid " " and resid 57 and name HB1 )) ASSI { 5445} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HB2 )) 3.300 1.400 1.400 peak 5445 weight 0.10000E+01 volume 0.37930E-02 ppm1 0.275 ppm2 3.603 CV 1 OR { 5445} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 5462} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 5462 weight 0.10000E+01 volume 0.27572E-02 ppm1 4.604 ppm2 1.963 CV 1 ASSI { 5469} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HD2 )) 2.900 1.000 1.000 peak 5469 weight 0.10000E+01 volume 0.75062E-02 ppm1 4.077 ppm2 4.610 CV 1 ASSI { 5470} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HD2 )) 1.700 0.400 0.500 peak 5470 weight 0.10000E+01 volume 0.12076E-01 ppm1 4.079 ppm2 3.461 CV 1 ASSI { 5477} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HD1 )) 4.600 2.600 1.400 peak 5477 weight 0.10000E+01 volume 0.76039E-03 ppm1 3.462 ppm2 8.623 CV 1 ASSI { 5480} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 65 and name HD1 )) 5.500 3.700 0.500 peak 5480 weight 0.10000E+01 volume 0.95301E-03 ppm1 3.462 ppm2 4.891 CV 1 ASSI { 5483} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HD1 )) 3.600 1.600 1.600 peak 5483 weight 0.10000E+01 volume 0.16298E-02 ppm1 3.465 ppm2 2.243 CV 1 OR { 5483} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD1 )) ASSI { 5530} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 81 and name HG2 )) 3.800 1.800 1.800 peak 5530 weight 0.10000E+01 volume 0.22164E-02 ppm1 1.954 ppm2 1.166 CV 1 ASSI { 5535} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG )) 5.200 3.300 0.800 peak 5535 weight 0.10000E+01 volume 0.63245E-03 ppm1 1.285 ppm2 8.702 CV 1 ASSI { 5537} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HG )) 2.600 0.800 0.800 peak 5537 weight 0.10000E+01 volume 0.48487E-02 ppm1 1.290 ppm2 0.400 CV 1 ASSI { 5544} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HB1 )) 5.000 3.100 1.000 peak 5544 weight 0.10000E+01 volume 0.65180E-03 ppm1 0.293 ppm2 1.933 CV 1 OR { 5544} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HB2 )) ASSI { 5567} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 5567 weight 0.10000E+01 volume 0.70206E-02 ppm1 4.603 ppm2 3.463 CV 1 ASSI { 5572} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HD1 )) 1.600 0.300 0.600 peak 5572 weight 0.10000E+01 volume 0.23783E-01 ppm1 3.642 ppm2 3.479 CV 1 ASSI { 5573} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HD1 )) 3.200 1.300 1.300 peak 5573 weight 0.10000E+01 volume 0.19090E-02 ppm1 3.642 ppm2 2.423 CV 1 ASSI { 5574} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HD1 )) 2.200 0.600 0.600 peak 5574 weight 0.10000E+01 volume 0.74306E-02 ppm1 3.642 ppm2 1.905 CV 1 ASSI { 5575} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 48 and name HD1 )) 3.700 1.700 1.700 peak 5575 weight 0.10000E+01 volume 0.63844E-03 ppm1 3.642 ppm2 1.230 CV 1 ASSI { 5577} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HD2 )) 3.900 1.900 1.900 peak 5577 weight 0.10000E+01 volume 0.19892E-02 ppm1 3.478 ppm2 2.423 CV 1 ASSI { 5630} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG )) 3.000 1.100 1.100 peak 5630 weight 0.10000E+01 volume 0.16382E-02 ppm1 1.283 ppm2 4.527 CV 1 ASSI { 5676} (( segid " " and resid 20 and name HG )) (( segid " " and resid 107 and name HG )) 3.600 1.600 1.600 peak 5676 weight 0.10000E+01 volume 0.12236E-02 ppm1 1.372 ppm2 0.968 CV 1 ASSI { 5677} (( segid " " and resid 126 and name HN )) (( segid " " and resid 107 and name HG )) 4.100 2.100 1.900 peak 5677 weight 0.10000E+01 volume 0.11215E-02 ppm1 1.366 ppm2 9.001 CV 1 ASSI { 5686} (( segid " " and resid 68 and name HA )) (( segid " " and resid 114 and name HG1 )) 3.600 1.600 1.600 peak 5686 weight 0.10000E+01 volume 0.20196E-02 ppm1 1.282 ppm2 4.744 CV 1 OR { 5686} (( segid " " and resid 68 and name HA )) (( segid " " and resid 114 and name HG2 )) ASSI { 5688} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 114 and name HG2 )) 4.200 2.200 1.800 peak 5688 weight 0.10000E+01 volume 0.15640E-02 ppm1 1.283 ppm2 0.766 CV 1 OR { 5688} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 114 and name HG1 )) ASSI { 5690} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 114 and name HG2 )) 3.200 1.300 1.300 peak 5690 weight 0.10000E+01 volume 0.12033E-02 ppm1 1.284 ppm2 -0.228 CV 1 OR { 5690} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 114 and name HG1 )) ASSI { 5729} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 5729 weight 0.10000E+01 volume 0.54395E-02 ppm1 2.129 ppm2 3.701 CV 1 OR { 5729} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HG2 )) ASSI { 5730} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 2.400 0.700 0.700 peak 5730 weight 0.10000E+01 volume 0.64389E-02 ppm1 2.129 ppm2 2.323 CV 1 OR { 5730} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG2 )) ASSI { 5732} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HG2 )) 1.800 0.400 0.400 peak 5732 weight 0.10000E+01 volume 0.12029E-01 ppm1 2.128 ppm2 1.896 CV 1 ASSI { 5733} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 36 and name HG2 )) 4.900 3.000 1.100 peak 5733 weight 0.10000E+01 volume 0.11923E-02 ppm1 2.128 ppm2 0.648 CV 1 ASSI { 5734} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG1 )) 4.700 2.700 1.300 peak 5734 weight 0.10000E+01 volume 0.90387E-03 ppm1 1.894 ppm2 4.983 CV 1 ASSI { 5735} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HG1 )) 2.500 0.800 0.800 peak 5735 weight 0.10000E+01 volume 0.50161E-02 ppm1 1.899 ppm2 3.703 CV 1 OR { 5735} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 5736} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG1 )) 2.500 0.800 0.800 peak 5736 weight 0.10000E+01 volume 0.50722E-02 ppm1 1.899 ppm2 2.311 CV 1 OR { 5736} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 5747} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 107 and name HG )) 2.600 0.900 0.900 peak 5747 weight 0.10000E+01 volume 0.19827E-02 ppm1 1.399 ppm2 0.760 CV 1 ASSI { 5790} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG )) 2.900 1.000 1.000 peak 5790 weight 0.10000E+01 volume 0.18518E-02 ppm1 1.501 ppm2 3.630 CV 1 ASSI { 5791} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 55 and name HG )) 2.200 0.600 0.600 peak 5791 weight 0.10000E+01 volume 0.51362E-02 ppm1 1.506 ppm2 0.578 CV 1 OR { 5791} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HG )) ASSI { 5824} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HG )) 2.900 1.100 1.100 peak 5824 weight 0.10000E+01 volume 0.19720E-02 ppm1 1.283 ppm2 0.270 CV 1 ASSI { 5840} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.100 0.600 0.600 peak 5840 weight 0.10000E+01 volume 0.44792E-02 ppm1 4.124 ppm2 6.797 CV 1 ASSI { 5846} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 134 and name HA )) 4.900 3.100 1.100 peak 5846 weight 0.10000E+01 volume 0.84928E-03 ppm1 4.124 ppm2 0.659 CV 1 ASSI { 5850} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HD2 )) 4.000 2.000 2.000 peak 5850 weight 0.10000E+01 volume 0.26326E-02 ppm1 3.745 ppm2 9.235 CV 1 ASSI { 5851} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HD2 )) 1.800 0.400 0.400 peak 5851 weight 0.10000E+01 volume 0.41887E-02 ppm1 3.745 ppm2 4.496 CV 1 ASSI { 5854} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 110 and name HD2 )) 3.700 1.700 1.700 peak 5854 weight 0.10000E+01 volume 0.65333E-03 ppm1 3.744 ppm2 2.832 CV 1 ASSI { 5856} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 110 and name HD2 )) 3.600 1.600 1.600 peak 5856 weight 0.10000E+01 volume 0.22808E-02 ppm1 3.744 ppm2 1.538 CV 1 ASSI { 5860} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 110 and name HD1 )) 3.400 1.400 1.400 peak 5860 weight 0.10000E+01 volume 0.50092E-02 ppm1 3.652 ppm2 2.169 CV 1 OR { 5860} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 110 and name HD1 )) ASSI { 5862} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 110 and name HD1 )) 2.100 0.500 0.500 peak 5862 weight 0.10000E+01 volume 0.65646E-02 ppm1 3.652 ppm2 1.436 CV 1 OR { 5862} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HD1 )) ASSI { 5863} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 110 and name HD1 )) 4.100 2.100 1.900 peak 5863 weight 0.10000E+01 volume 0.10523E-02 ppm1 3.654 ppm2 1.008 CV 1 ASSI { 5864} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HD1 )) 3.900 1.900 1.900 peak 5864 weight 0.10000E+01 volume 0.22723E-02 ppm1 3.646 ppm2 9.234 CV 1 ASSI { 5865} (( segid " " and resid 109 and name HA )) (( segid " " and resid 110 and name HD1 )) 2.600 0.800 0.800 peak 5865 weight 0.10000E+01 volume 0.31956E-02 ppm1 3.646 ppm2 4.498 CV 1 ASSI { 5907} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 95 and name HG2 )) 4.100 2.100 1.900 peak 5907 weight 0.10000E+01 volume 0.12985E-02 ppm1 1.481 ppm2 1.208 CV 1 ASSI { 5923} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 133 and name HD1%) 2.500 0.800 0.800 peak 5923 weight 0.10000E+01 volume 0.40295E-02 ppm1 1.003 ppm2 2.205 CV 1 ASSI { 5924} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HD1%) 2.600 0.900 0.900 peak 5924 weight 0.10000E+01 volume 0.55577E-02 ppm1 1.002 ppm2 1.550 CV 1 ASSI { 5926} ( segid " " and resid 133 and name HD2%) ( segid " " and resid 133 and name HD1%) 2.300 0.700 0.700 peak 5926 weight 0.10000E+01 volume 0.11774E-01 ppm1 1.003 ppm2 0.693 CV 1 ASSI { 5927} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 133 and name HD1%) 3.400 1.500 1.500 peak 5927 weight 0.10000E+01 volume 0.14190E-02 ppm1 1.001 ppm2 0.423 CV 1 OR { 5927} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 133 and name HD1%) ASSI { 5934} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 46 and name HA )) 3.700 1.700 1.700 peak 5934 weight 0.10000E+01 volume 0.99028E-03 ppm1 5.122 ppm2 1.001 CV 1 ASSI { 5940} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 46 and name HA )) 3.100 1.200 1.200 peak 5940 weight 0.10000E+01 volume 0.12754E-02 ppm1 5.120 ppm2 1.946 CV 1 ASSI { 5942} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 46 and name HA )) 2.300 0.700 0.700 peak 5942 weight 0.10000E+01 volume 0.98518E-02 ppm1 5.121 ppm2 1.432 CV 1 ASSI { 5966} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 134 and name HA )) 3.900 1.900 1.900 peak 5966 weight 0.10000E+01 volume 0.16823E-02 ppm1 4.124 ppm2 6.048 CV 1 ASSI { 6001} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG1 )) 2.300 0.700 0.700 peak 6001 weight 0.10000E+01 volume 0.21733E-02 ppm1 1.802 ppm2 7.921 CV 1 ASSI { 6002} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG1 )) 3.300 1.400 1.400 peak 6002 weight 0.10000E+01 volume 0.22267E-02 ppm1 1.802 ppm2 4.048 CV 1 ASSI { 6003} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HG1 )) 3.700 1.700 1.700 peak 6003 weight 0.10000E+01 volume 0.17931E-02 ppm1 1.804 ppm2 2.922 CV 1 OR { 6003} (( segid " " and resid 95 and name HE1 )) (( segid " " and resid 95 and name HG1 )) ASSI { 6005} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HG1 )) 1.600 0.300 0.600 peak 6005 weight 0.10000E+01 volume 0.11159E-01 ppm1 1.802 ppm2 1.477 CV 1 ASSI { 6006} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 95 and name HG1 )) 4.500 2.600 1.500 peak 6006 weight 0.10000E+01 volume 0.61479E-03 ppm1 1.807 ppm2 1.189 CV 1 ASSI { 6012} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HG2 )) 3.500 1.500 1.500 peak 6012 weight 0.10000E+01 volume 0.35066E-02 ppm1 1.477 ppm2 4.048 CV 1 ASSI { 6013} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HG2 )) 2.800 1.000 1.000 peak 6013 weight 0.10000E+01 volume 0.20605E-02 ppm1 1.475 ppm2 2.912 CV 1 OR { 6013} (( segid " " and resid 95 and name HE1 )) (( segid " " and resid 95 and name HG2 )) ASSI { 6014} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HG2 )) 2.600 0.900 0.900 peak 6014 weight 0.10000E+01 volume 0.27222E-02 ppm1 1.477 ppm2 2.111 CV 1 OR { 6014} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HG2 )) ASSI { 6018} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HG1 )) 3.600 1.600 1.600 peak 6018 weight 0.10000E+01 volume 0.23069E-02 ppm1 1.312 ppm2 0.475 CV 1 OR { 6018} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HG2 )) ASSI { 6024} (( segid " " and resid 67 and name HN )) ( segid " " and resid 115 and name HD2%) 4.100 2.100 1.900 peak 6024 weight 0.10000E+01 volume 0.11452E-02 ppm1 0.710 ppm2 8.381 CV 1 ASSI { 6029} ( segid " " and resid 123 and name HD% ) ( segid " " and resid 115 and name HD2%) 2.500 0.800 0.800 peak 6029 weight 0.10000E+01 volume 0.55298E-02 ppm1 0.710 ppm2 6.668 CV 1 ASSI { 6030} ( segid " " and resid 123 and name HE% ) ( segid " " and resid 115 and name HD2%) 2.500 0.800 0.800 peak 6030 weight 0.10000E+01 volume 0.60872E-02 ppm1 0.710 ppm2 6.525 CV 1 ASSI { 6032} (( segid " " and resid 66 and name HA )) ( segid " " and resid 115 and name HD2%) 4.600 2.600 1.400 peak 6032 weight 0.10000E+01 volume 0.97341E-03 ppm1 0.710 ppm2 5.611 CV 1 ASSI { 6033} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HD2%) 3.500 1.500 1.500 peak 6033 weight 0.10000E+01 volume 0.23368E-02 ppm1 0.710 ppm2 5.271 CV 1 ASSI { 6036} (( segid " " and resid 55 and name HA )) ( segid " " and resid 115 and name HD2%) 4.200 2.200 1.800 peak 6036 weight 0.10000E+01 volume 0.10364E-02 ppm1 0.711 ppm2 3.603 CV 1 ASSI { 6037} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 115 and name HD2%) 3.100 1.200 1.200 peak 6037 weight 0.10000E+01 volume 0.24154E-02 ppm1 0.711 ppm2 3.039 CV 1 ASSI { 6040} (( segid " " and resid 115 and name HG )) ( segid " " and resid 115 and name HD2%) 2.300 0.700 0.700 peak 6040 weight 0.10000E+01 volume 0.97620E-02 ppm1 0.710 ppm2 1.631 CV 1 OR { 6040} (( segid " " and resid 115 and name HB1 )) ( segid " " and resid 115 and name HD2%) OR { 6040} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 115 and name HD2%) ASSI { 6042} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 115 and name HD2%) 2.600 0.800 0.800 peak 6042 weight 0.10000E+01 volume 0.45923E-02 ppm1 0.711 ppm2 0.983 CV 1 ASSI { 6055} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HA )) 4.700 2.800 1.300 peak 6055 weight 0.10000E+01 volume 0.56276E-03 ppm1 5.125 ppm2 4.702 CV 1 ASSI { 6056} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HA )) 4.300 2.300 1.700 peak 6056 weight 0.10000E+01 volume 0.59178E-03 ppm1 5.122 ppm2 3.840 CV 1 ASSI { 6067} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 36 and name HD2 )) 3.000 1.200 1.200 peak 6067 weight 0.10000E+01 volume 0.22817E-02 ppm1 3.702 ppm2 7.222 CV 1 OR { 6067} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 36 and name HD1 )) ASSI { 6069} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HD1 )) 3.000 1.100 1.100 peak 6069 weight 0.10000E+01 volume 0.24558E-02 ppm1 3.703 ppm2 3.154 CV 1 OR { 6069} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HD2 )) ASSI { 6072} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HD1 )) 2.000 0.500 0.500 peak 6072 weight 0.10000E+01 volume 0.75655E-02 ppm1 3.701 ppm2 4.982 CV 1 OR { 6072} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HD2 )) ASSI { 6074} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HD2 )) 3.400 1.500 1.500 peak 6074 weight 0.10000E+01 volume 0.27362E-02 ppm1 3.701 ppm2 2.314 CV 1 OR { 6074} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HD1 )) OR { 6074} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HD2 )) OR { 6074} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HD1 )) ASSI { 6076} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 36 and name HD1 )) 3.400 1.400 1.400 peak 6076 weight 0.10000E+01 volume 0.24730E-02 ppm1 3.699 ppm2 0.652 CV 1 OR { 6076} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 36 and name HD2 )) ASSI { 6125} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HD2 )) 4.200 2.200 1.800 peak 6125 weight 0.10000E+01 volume 0.15153E-02 ppm1 3.700 ppm2 2.949 CV 1 OR { 6125} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HD1 )) ASSI { 6157} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 36 and name HG1 )) 3.500 1.500 1.500 peak 6157 weight 0.10000E+01 volume 0.19575E-02 ppm1 1.931 ppm2 2.024 CV 1 OR { 6157} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 36 and name HG1 )) ASSI { 6164} (( segid " " and resid 41 and name HA )) ( segid " " and resid 41 and name HD2%) 3.400 1.400 1.400 peak 6164 weight 0.10000E+01 volume 0.22033E-02 ppm1 0.878 ppm2 4.404 CV 1 ASSI { 6166} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 41 and name HD2%) 2.800 1.000 1.000 peak 6166 weight 0.10000E+01 volume 0.34396E-02 ppm1 0.878 ppm2 2.944 CV 1 ASSI { 6167} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 41 and name HD2%) 3.200 1.300 1.300 peak 6167 weight 0.10000E+01 volume 0.42135E-02 ppm1 0.878 ppm2 2.585 CV 1 ASSI { 6170} (( segid " " and resid 41 and name HG )) ( segid " " and resid 41 and name HD2%) 2.300 0.700 0.700 peak 6170 weight 0.10000E+01 volume 0.95045E-02 ppm1 0.878 ppm2 1.777 CV 1 OR { 6170} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 41 and name HD2%) ASSI { 6171} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 41 and name HD2%) 2.700 0.900 0.900 peak 6171 weight 0.10000E+01 volume 0.10983E-01 ppm1 0.877 ppm2 1.502 CV 1 ASSI { 6221} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 99 and name HD2%) 2.300 0.700 0.700 peak 6221 weight 0.10000E+01 volume 0.82967E-02 ppm1 0.286 ppm2 1.136 CV 1 OR { 6221} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 99 and name HD2%) ASSI { 6262} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD2%) 2.300 0.700 0.700 peak 6262 weight 0.10000E+01 volume 0.27416E-02 ppm1 0.605 ppm2 9.173 CV 1 ASSI { 6264} (( segid " " and resid 142 and name HN )) ( segid " " and resid 120 and name HD2%) 2.600 0.900 0.900 peak 6264 weight 0.10000E+01 volume 0.36817E-02 ppm1 0.606 ppm2 8.833 CV 1 ASSI { 6265} (( segid " " and resid 116 and name HN )) ( segid " " and resid 120 and name HD2%) 4.100 2.100 1.900 peak 6265 weight 0.10000E+01 volume 0.14199E-02 ppm1 0.609 ppm2 8.604 CV 1 ASSI { 6273} (( segid " " and resid 119 and name HA )) ( segid " " and resid 120 and name HD2%) 2.800 1.000 1.000 peak 6273 weight 0.10000E+01 volume 0.80992E-02 ppm1 0.604 ppm2 4.725 CV 1 ASSI { 6280} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD1%) 4.100 2.100 1.900 peak 6280 weight 0.10000E+01 volume 0.10241E-02 ppm1 0.446 ppm2 9.165 CV 1 ASSI { 6281} (( segid " " and resid 115 and name HA )) ( segid " " and resid 120 and name HD1%) 4.100 2.100 1.900 peak 6281 weight 0.10000E+01 volume 0.69725E-03 ppm1 0.448 ppm2 5.267 CV 1 ASSI { 6284} (( segid " " and resid 142 and name HB2 )) ( segid " " and resid 120 and name HD1%) 3.400 1.400 1.400 peak 6284 weight 0.10000E+01 volume 0.10809E-02 ppm1 0.449 ppm2 2.004 CV 1 ASSI { 6285} (( segid " " and resid 142 and name HB1 )) ( segid " " and resid 120 and name HD1%) 3.400 1.500 1.500 peak 6285 weight 0.10000E+01 volume 0.13518E-02 ppm1 0.448 ppm2 1.853 CV 1 ASSI { 6291} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 99 and name HD2%) 3.100 1.200 1.200 peak 6291 weight 0.10000E+01 volume 0.37615E-02 ppm1 0.286 ppm2 7.475 CV 1 ASSI { 6299} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HD2%) 3.600 1.600 1.600 peak 6299 weight 0.10000E+01 volume 0.18723E-02 ppm1 0.286 ppm2 3.741 CV 1 ASSI { 6302} (( segid " " and resid 99 and name HG )) ( segid " " and resid 99 and name HD2%) 2.500 0.800 0.800 peak 6302 weight 0.10000E+01 volume 0.51415E-02 ppm1 0.285 ppm2 1.935 CV 1 ASSI { 6361} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 120 and name HD2%) 3.900 1.900 1.900 peak 6361 weight 0.10000E+01 volume 0.79727E-03 ppm1 0.605 ppm2 3.125 CV 1 ASSI { 6362} (( segid " " and resid 142 and name HG1 )) ( segid " " and resid 120 and name HD2%) 3.100 1.200 1.200 peak 6362 weight 0.10000E+01 volume 0.39601E-02 ppm1 0.605 ppm2 2.194 CV 1 OR { 6362} (( segid " " and resid 142 and name HG2 )) ( segid " " and resid 120 and name HD2%) ASSI { 6367} (( segid " " and resid 115 and name HN )) ( segid " " and resid 120 and name HD1%) 4.400 2.400 1.600 peak 6367 weight 0.10000E+01 volume 0.85174E-03 ppm1 0.448 ppm2 9.332 CV 1 ASSI { 6369} (( segid " " and resid 142 and name HN )) ( segid " " and resid 120 and name HD1%) 3.400 1.400 1.400 peak 6369 weight 0.10000E+01 volume 0.30213E-02 ppm1 0.447 ppm2 8.827 CV 1 ASSI { 6370} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD1%) 4.200 2.200 1.800 peak 6370 weight 0.10000E+01 volume 0.18706E-02 ppm1 0.447 ppm2 8.504 CV 1 ASSI { 6377} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 120 and name HD1%) 2.400 0.700 0.700 peak 6377 weight 0.10000E+01 volume 0.57445E-02 ppm1 0.448 ppm2 1.633 CV 1 OR { 6377} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 120 and name HD1%) ASSI { 6439} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 28 and name HD1%) 2.100 0.600 0.600 peak 6439 weight 0.10000E+01 volume 0.85238E-02 ppm1 0.800 ppm2 1.528 CV 1 ASSI { 6489} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.300 1.300 1.300 peak 6489 weight 0.10000E+01 volume 0.66390E-03 ppm1 1.520 ppm2 8.759 CV 1 ASSI { 6490} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 3.300 1.400 1.400 peak 6490 weight 0.10000E+01 volume 0.90013E-03 ppm1 1.517 ppm2 2.276 CV 1 OR { 6490} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HG1 )) OR { 6490} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 11 and name HG1 )) OR { 6490} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HG1 )) ASSI { 6493} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 4.300 2.400 1.700 peak 6493 weight 0.10000E+01 volume 0.14471E-02 ppm1 0.802 ppm2 8.699 CV 1 ASSI { 6495} (( segid " " and resid 36 and name HA )) ( segid " " and resid 28 and name HD1%) 3.600 1.600 1.600 peak 6495 weight 0.10000E+01 volume 0.12145E-02 ppm1 0.801 ppm2 5.217 CV 1 ASSI { 6497} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD1%) 3.700 1.700 1.700 peak 6497 weight 0.10000E+01 volume 0.16693E-02 ppm1 0.800 ppm2 4.764 CV 1 ASSI { 6499} (( segid " " and resid 36 and name HD1 )) ( segid " " and resid 28 and name HD1%) 3.800 1.800 1.800 peak 6499 weight 0.10000E+01 volume 0.84943E-03 ppm1 0.803 ppm2 3.710 CV 1 ASSI { 6500} (( segid " " and resid 34 and name HG2 )) ( segid " " and resid 28 and name HD1%) 3.300 1.400 1.400 peak 6500 weight 0.10000E+01 volume 0.28064E-02 ppm1 0.802 ppm2 2.084 CV 1 OR { 6500} (( segid " " and resid 34 and name HG1 )) ( segid " " and resid 28 and name HD1%) ASSI { 6501} (( segid " " and resid 36 and name HG1 )) ( segid " " and resid 28 and name HD1%) 2.600 0.900 0.900 peak 6501 weight 0.10000E+01 volume 0.36210E-02 ppm1 0.802 ppm2 1.893 CV 1 ASSI { 6502} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD1%) 2.800 1.000 1.000 peak 6502 weight 0.10000E+01 volume 0.96573E-02 ppm1 0.802 ppm2 1.724 CV 1 ASSI { 6503} (( segid " " and resid 28 and name HG )) ( segid " " and resid 28 and name HD1%) 2.200 0.600 0.600 peak 6503 weight 0.10000E+01 volume 0.68553E-02 ppm1 0.801 ppm2 0.979 CV 1 ASSI { 6527} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD1%) 3.800 1.800 1.800 peak 6527 weight 0.10000E+01 volume 0.18137E-02 ppm1 0.539 ppm2 8.385 CV 1 ASSI { 6567} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.600 0.800 0.800 peak 6567 weight 0.10000E+01 volume 0.29231E-02 ppm1 1.486 ppm2 4.390 CV 1 ASSI { 6583} (( segid " " and resid 135 and name HA1 )) ( segid " " and resid 20 and name HD1%) 4.000 2.000 2.000 peak 6583 weight 0.10000E+01 volume 0.16233E-02 ppm1 0.541 ppm2 2.907 CV 1 ASSI { 6643} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 21 and name HG2 )) 3.800 1.800 1.800 peak 6643 weight 0.10000E+01 volume 0.17477E-02 ppm1 1.495 ppm2 0.543 CV 1 OR { 6643} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 21 and name HG2 )) ASSI { 6651} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG1 )) 4.600 2.600 1.400 peak 6651 weight 0.10000E+01 volume 0.81539E-03 ppm1 1.445 ppm2 8.259 CV 1 ASSI { 6652} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 21 and name HG1 )) 4.900 2.900 1.100 peak 6652 weight 0.10000E+01 volume 0.81283E-03 ppm1 1.447 ppm2 7.322 CV 1 ASSI { 6661} (( segid " " and resid 124 and name HB )) (( segid " " and resid 136 and name HG11)) 2.800 1.000 1.000 peak 6661 weight 0.10000E+01 volume 0.19217E-02 ppm1 0.904 ppm2 2.431 CV 1 OR { 6661} (( segid " " and resid 124 and name HB )) (( segid " " and resid 136 and name HG12)) ASSI { 6703} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HZ3 )) 3.700 1.700 1.700 peak 6703 weight 0.10000E+01 volume 0.17569E-02 ppm1 7.672 ppm2 6.728 CV 1 ASSI { 6704} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HZ3 )) 5.200 3.400 0.800 peak 6704 weight 0.10000E+01 volume 0.80490E-03 ppm1 7.671 ppm2 4.757 CV 1 ASSI { 6706} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HZ3 )) 5.000 3.100 1.000 peak 6706 weight 0.10000E+01 volume 0.21412E-02 ppm1 7.671 ppm2 3.629 CV 1 ASSI { 6719} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.500 1.500 1.500 peak 6719 weight 0.10000E+01 volume 0.14973E-02 ppm1 1.531 ppm2 8.588 CV 1 ASSI { 6720} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG2 )) 2.200 0.600 0.600 peak 6720 weight 0.10000E+01 volume 0.21716E-02 ppm1 1.532 ppm2 3.742 CV 1 ASSI { 6722} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HG2 )) 4.300 2.300 1.700 peak 6722 weight 0.10000E+01 volume 0.15175E-02 ppm1 1.484 ppm2 9.218 CV 1 ASSI { 6726} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG1 )) 3.400 1.400 1.400 peak 6726 weight 0.10000E+01 volume 0.24347E-02 ppm1 1.439 ppm2 3.741 CV 1 ASSI { 6732} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 100 and name HD2%) 2.500 0.800 0.800 peak 6732 weight 0.10000E+01 volume 0.30385E-02 ppm1 0.757 ppm2 7.667 CV 1 ASSI { 6739} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 100 and name HD2%) 2.700 0.900 0.900 peak 6739 weight 0.10000E+01 volume 0.31596E-02 ppm1 0.755 ppm2 3.079 CV 1 ASSI { 6742} (( segid " " and resid 100 and name HG )) ( segid " " and resid 100 and name HD2%) 2.000 0.500 0.500 peak 6742 weight 0.10000E+01 volume 0.10311E-01 ppm1 0.756 ppm2 1.252 CV 1 ASSI { 6747} (( segid " " and resid 27 and name HG )) ( segid " " and resid 27 and name HD1%) 2.400 0.700 0.700 peak 6747 weight 0.10000E+01 volume 0.97392E-02 ppm1 0.267 ppm2 1.308 CV 1 OR { 6747} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 27 and name HD1%) ASSI { 6815} (( segid " " and resid 61 and name HN )) ( segid " " and resid 115 and name HD1%) 3.800 1.800 1.800 peak 6815 weight 0.10000E+01 volume 0.85273E-03 ppm1 0.995 ppm2 8.554 CV 1 ASSI { 6830} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HD1%) 4.200 2.200 1.800 peak 6830 weight 0.10000E+01 volume 0.16741E-02 ppm1 0.268 ppm2 8.720 CV 1 ASSI { 6833} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 27 and name HD1%) 3.800 1.800 1.800 peak 6833 weight 0.10000E+01 volume 0.16926E-02 ppm1 0.268 ppm2 7.328 CV 1 ASSI { 6835} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD1%) 3.900 1.900 1.900 peak 6835 weight 0.10000E+01 volume 0.20512E-02 ppm1 0.268 ppm2 4.525 CV 1 ASSI { 6840} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 27 and name HD1%) 4.300 2.300 1.700 peak 6840 weight 0.10000E+01 volume 0.10515E-02 ppm1 0.267 ppm2 3.434 CV 1 ASSI { 6844} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD1%) 2.300 0.600 0.600 peak 6844 weight 0.10000E+01 volume 0.66595E-02 ppm1 0.268 ppm2 1.718 CV 1 ASSI { 6893} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HG2 )) 2.600 0.900 0.900 peak 6893 weight 0.10000E+01 volume 0.35309E-02 ppm1 1.347 ppm2 2.914 CV 1 OR { 6893} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HG2 )) ASSI { 6903} ( segid " " and resid 66 and name HD% ) ( segid " " and resid 55 and name HD2%) 3.100 1.200 1.200 peak 6903 weight 0.10000E+01 volume 0.13282E-02 ppm1 0.547 ppm2 7.013 CV 1 ASSI { 6961} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 108 and name HG2 )) 3.500 1.600 1.600 peak 6961 weight 0.10000E+01 volume 0.12389E-02 ppm1 1.348 ppm2 4.726 CV 1 ASSI { 6962} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HG2 )) 3.000 1.100 1.100 peak 6962 weight 0.10000E+01 volume 0.24370E-02 ppm1 1.344 ppm2 4.378 CV 1 ASSI { 6968} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.900 1.900 1.900 peak 6968 weight 0.10000E+01 volume 0.96650E-03 ppm1 1.284 ppm2 4.725 CV 1 OR { 6968} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 6970} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HG1 )) 3.000 1.100 1.100 peak 6970 weight 0.10000E+01 volume 0.28665E-02 ppm1 1.290 ppm2 2.921 CV 1 OR { 6970} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HG1 )) OR { 6970} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HG2 )) OR { 6970} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 6971} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) 2.100 0.500 0.500 peak 6971 weight 0.10000E+01 volume 0.18078E-01 ppm1 1.288 ppm2 1.607 CV 1 OR { 6971} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) OR { 6971} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) OR { 6971} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 6975} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HD1%) 3.900 1.900 1.900 peak 6975 weight 0.10000E+01 volume 0.19906E-02 ppm1 0.817 ppm2 7.848 CV 1 ASSI { 6976} (( segid " " and resid 40 and name HA )) ( segid " " and resid 17 and name HD1%) 3.400 1.400 1.400 peak 6976 weight 0.10000E+01 volume 0.10142E-02 ppm1 0.818 ppm2 5.081 CV 1 ASSI { 6979} (( segid " " and resid 14 and name HA )) ( segid " " and resid 17 and name HD1%) 3.900 1.900 1.900 peak 6979 weight 0.10000E+01 volume 0.54116E-02 ppm1 0.817 ppm2 4.072 CV 1 ASSI { 6980} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HD1%) 3.100 1.200 1.200 peak 6980 weight 0.10000E+01 volume 0.38903E-02 ppm1 0.818 ppm2 3.750 CV 1 ASSI { 6983} (( segid " " and resid 17 and name HG )) ( segid " " and resid 17 and name HD1%) 2.100 0.500 0.500 peak 6983 weight 0.10000E+01 volume 0.14190E-01 ppm1 0.817 ppm2 1.764 CV 1 ASSI { 6984} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HD1%) 2.200 0.600 0.600 peak 6984 weight 0.10000E+01 volume 0.14120E-01 ppm1 0.817 ppm2 1.515 CV 1 OR { 6984} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 17 and name HD1%) ASSI { 6995} (( segid " " and resid 68 and name HA )) ( segid " " and resid 55 and name HD2%) 3.400 1.400 1.400 peak 6995 weight 0.10000E+01 volume 0.21421E-02 ppm1 0.544 ppm2 4.726 CV 1 ASSI { 7052} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HG1 )) 3.800 1.800 1.800 peak 7052 weight 0.10000E+01 volume 0.84242E-03 ppm1 1.282 ppm2 0.759 CV 1 OR { 7052} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HG2 )) ASSI { 7089} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HG2 )) 2.900 1.100 1.100 peak 7089 weight 0.10000E+01 volume 0.34564E-02 ppm1 1.465 ppm2 2.887 CV 1 OR { 7089} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HG2 )) OR { 7089} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HG1 )) OR { 7089} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HG1 )) ASSI { 7090} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HG2 )) 1.900 0.400 0.400 peak 7090 weight 0.10000E+01 volume 0.31808E-01 ppm1 1.464 ppm2 1.685 CV 1 OR { 7090} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HG1 )) OR { 7090} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HG1 )) OR { 7090} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HG2 )) ASSI { 7091} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 98 and name HG2 )) 3.600 1.600 1.600 peak 7091 weight 0.10000E+01 volume 0.23741E-02 ppm1 1.459 ppm2 1.182 CV 1 OR { 7091} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 98 and name HG1 )) OR { 7091} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 98 and name HG1 )) ASSI { 7097} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 100 and name HD2%) 5.100 3.300 0.900 peak 7097 weight 0.10000E+01 volume 0.61957E-03 ppm1 0.780 ppm2 1.044 CV 1 ASSI { 7163} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 50 and name HB )) 2.100 0.600 0.600 peak 7163 weight 0.10000E+01 volume 0.71944E-02 ppm1 4.609 ppm2 1.229 CV 1 OR { 7163} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 50 and name HB )) ASSI { 7180} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 98 and name HG2 )) 2.100 0.600 0.600 peak 7180 weight 0.10000E+01 volume 0.12882E-01 ppm1 1.465 ppm2 1.931 CV 1 OR { 7180} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG1 )) OR { 7180} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG2 )) OR { 7180} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 98 and name HG1 )) ASSI { 7219} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HG1 )) 2.400 0.700 0.700 peak 7219 weight 0.10000E+01 volume 0.42481E-02 ppm1 1.931 ppm2 2.424 CV 1 ASSI { 7221} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 48 and name HG1 )) 3.000 1.100 1.100 peak 7221 weight 0.10000E+01 volume 0.15456E-02 ppm1 1.930 ppm2 1.229 CV 1 OR { 7221} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 48 and name HG1 )) ASSI { 7223} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HG1 )) 2.700 0.900 0.900 peak 7223 weight 0.10000E+01 volume 0.53363E-02 ppm1 1.929 ppm2 3.477 CV 1 ASSI { 7225} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG2 )) 3.700 1.700 1.700 peak 7225 weight 0.10000E+01 volume 0.91157E-03 ppm1 1.833 ppm2 4.549 CV 1 ASSI { 7226} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HG2 )) 3.000 1.100 1.100 peak 7226 weight 0.10000E+01 volume 0.49557E-02 ppm1 1.832 ppm2 3.642 CV 1 ASSI { 7227} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HG2 )) 2.400 0.700 0.700 peak 7227 weight 0.10000E+01 volume 0.45327E-02 ppm1 1.833 ppm2 3.477 CV 1 ASSI { 7228} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HG2 )) 3.200 1.300 1.300 peak 7228 weight 0.10000E+01 volume 0.36108E-02 ppm1 1.833 ppm2 2.421 CV 1 ASSI { 7230} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 48 and name HG2 )) 3.300 1.400 1.400 peak 7230 weight 0.10000E+01 volume 0.16813E-02 ppm1 1.832 ppm2 1.229 CV 1 OR { 7230} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 48 and name HG2 )) ASSI { 7452} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 80 and name HN )) 4.400 2.400 1.600 peak 7452 weight 0.10000E+01 volume 0.78440E-03 ppm1 7.239 ppm2 2.676 CV 1 ASSI { 7610} (( segid " " and resid 132 and name HN )) ( segid " " and resid 41 and name HD1%) 4.600 2.600 1.400 peak 7610 weight 0.10000E+01 volume 0.65415E-03 ppm1 0.805 ppm2 7.291 CV 1 ASSI { 7623} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 100 and name HD1%) 4.100 2.100 1.900 peak 7623 weight 0.10000E+01 volume 0.21352E-02 ppm1 0.610 ppm2 7.310 CV 1 ASSI { 7629} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 100 and name HD1%) 2.100 0.500 0.500 peak 7629 weight 0.10000E+01 volume 0.13389E-01 ppm1 0.610 ppm2 3.537 CV 1 ASSI { 7630} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 100 and name HD1%) 2.200 0.600 0.600 peak 7630 weight 0.10000E+01 volume 0.34442E-02 ppm1 0.611 ppm2 3.080 CV 1 ASSI { 7631} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 100 and name HD1%) 3.900 1.900 1.900 peak 7631 weight 0.10000E+01 volume 0.25391E-02 ppm1 0.612 ppm2 2.857 CV 1 ASSI { 7633} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 100 and name HD1%) 2.300 0.700 0.700 peak 7633 weight 0.10000E+01 volume 0.51815E-02 ppm1 0.611 ppm2 1.773 CV 1 ASSI { 7718} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD1%) 2.900 1.100 1.100 peak 7718 weight 0.10000E+01 volume 0.50279E-02 ppm1 0.803 ppm2 8.915 CV 1 ASSI { 7723} (( segid " " and resid 132 and name HA )) ( segid " " and resid 41 and name HD1%) 4.600 2.600 1.400 peak 7723 weight 0.10000E+01 volume 0.66257E-03 ppm1 0.804 ppm2 5.640 CV 1 ASSI { 7726} (( segid " " and resid 41 and name HA )) ( segid " " and resid 41 and name HD1%) 2.700 0.900 0.900 peak 7726 weight 0.10000E+01 volume 0.84831E-02 ppm1 0.803 ppm2 4.415 CV 1 ASSI { 7729} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 41 and name HD1%) 3.200 1.300 1.300 peak 7729 weight 0.10000E+01 volume 0.45851E-02 ppm1 0.804 ppm2 2.583 CV 1 ASSI { 7730} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 41 and name HD1%) 2.800 1.000 1.000 peak 7730 weight 0.10000E+01 volume 0.49194E-02 ppm1 0.803 ppm2 2.077 CV 1 ASSI { 7731} (( segid " " and resid 41 and name HG )) ( segid " " and resid 41 and name HD1%) 2.600 0.900 0.900 peak 7731 weight 0.10000E+01 volume 0.57128E-02 ppm1 0.801 ppm2 1.775 CV 1 OR { 7731} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 41 and name HD1%) ASSI { 7903} (( segid " " and resid 79 and name HA )) ( segid " " and resid 93 and name HG2%) 2.500 0.800 0.800 peak 7903 weight 0.10000E+01 volume 0.78222E-02 ppm1 1.174 ppm2 4.713 CV 1 ASSI { 7907} (( segid " " and resid 81 and name HG1 )) ( segid " " and resid 93 and name HG2%) 2.900 1.000 1.000 peak 7907 weight 0.10000E+01 volume 0.12279E-02 ppm1 1.169 ppm2 1.799 CV 1 ASSI { 7914} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HG1%) 2.700 0.900 0.900 peak 7914 weight 0.10000E+01 volume 0.86592E-02 ppm1 1.022 ppm2 3.658 CV 1 ASSI { 7915} (( segid " " and resid 49 and name HB )) ( segid " " and resid 49 and name HG1%) 2.200 0.600 0.600 peak 7915 weight 0.10000E+01 volume 0.14759E-01 ppm1 1.022 ppm2 2.116 CV 1 ASSI { 7973} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HB% ) 2.500 0.800 0.800 peak 7973 weight 0.10000E+01 volume 0.81844E-02 ppm1 1.000 ppm2 6.795 CV 1 ASSI { 7975} (( segid " " and resid 41 and name HA )) ( segid " " and resid 134 and name HB% ) 2.300 0.700 0.700 peak 7975 weight 0.10000E+01 volume 0.53791E-02 ppm1 0.999 ppm2 4.418 CV 1 ASSI { 8018} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 134 and name HB% ) 4.600 2.700 1.400 peak 8018 weight 0.10000E+01 volume 0.96399E-03 ppm1 0.999 ppm2 6.056 CV 1 ASSI { 8019} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HB% ) 2.000 0.500 0.500 peak 8019 weight 0.10000E+01 volume 0.12148E-01 ppm1 0.999 ppm2 4.123 CV 1 ASSI { 8023} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD2%) 4.500 2.500 1.500 peak 8023 weight 0.10000E+01 volume 0.19661E-02 ppm1 0.652 ppm2 8.700 CV 1 ASSI { 8024} (( segid " " and resid 35 and name HN )) ( segid " " and resid 28 and name HD2%) 3.100 1.200 1.200 peak 8024 weight 0.10000E+01 volume 0.13476E-02 ppm1 0.652 ppm2 8.025 CV 1 ASSI { 8027} (( segid " " and resid 36 and name HA )) ( segid " " and resid 28 and name HD2%) 3.000 1.100 1.100 peak 8027 weight 0.10000E+01 volume 0.97776E-02 ppm1 0.651 ppm2 5.236 CV 1 ASSI { 8028} (( segid " " and resid 35 and name HA )) ( segid " " and resid 28 and name HD2%) 2.700 0.900 0.900 peak 8028 weight 0.10000E+01 volume 0.31862E-02 ppm1 0.651 ppm2 4.978 CV 1 ASSI { 8033} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 28 and name HD2%) 3.400 1.500 1.500 peak 8033 weight 0.10000E+01 volume 0.81230E-02 ppm1 0.651 ppm2 2.311 CV 1 OR { 8033} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 28 and name HD2%) ASSI { 8034} (( segid " " and resid 34 and name HG1 )) ( segid " " and resid 28 and name HD2%) 2.500 0.800 0.800 peak 8034 weight 0.10000E+01 volume 0.42795E-02 ppm1 0.652 ppm2 2.122 CV 1 OR { 8034} (( segid " " and resid 34 and name HG2 )) ( segid " " and resid 28 and name HD2%) ASSI { 8037} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 28 and name HD2%) 2.700 0.900 0.900 peak 8037 weight 0.10000E+01 volume 0.12885E-01 ppm1 0.652 ppm2 1.536 CV 1 ASSI { 8041} (( segid " " and resid 128 and name HN )) ( segid " " and resid 107 and name HD1%) 3.900 1.900 1.900 peak 8041 weight 0.10000E+01 volume 0.11415E-02 ppm1 0.531 ppm2 9.583 CV 1 ASSI { 8043} (( segid " " and resid 126 and name HN )) ( segid " " and resid 107 and name HD1%) 2.900 1.100 1.100 peak 8043 weight 0.10000E+01 volume 0.11464E-02 ppm1 0.531 ppm2 9.016 CV 1 ASSI { 8045} (( segid " " and resid 107 and name HN )) ( segid " " and resid 107 and name HD1%) 3.400 1.400 1.400 peak 8045 weight 0.10000E+01 volume 0.18122E-02 ppm1 0.530 ppm2 8.019 CV 1 ASSI { 8047} (( segid " " and resid 106 and name HN )) ( segid " " and resid 107 and name HD1%) 4.400 2.400 1.600 peak 8047 weight 0.10000E+01 volume 0.82005E-03 ppm1 0.529 ppm2 7.312 CV 1 ASSI { 8054} (( segid " " and resid 126 and name HA2 )) ( segid " " and resid 107 and name HD1%) 2.700 0.900 0.900 peak 8054 weight 0.10000E+01 volume 0.12545E-02 ppm1 0.532 ppm2 3.415 CV 1 ASSI { 8057} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 107 and name HD1%) 2.500 0.800 0.800 peak 8057 weight 0.10000E+01 volume 0.39409E-02 ppm1 0.531 ppm2 1.850 CV 1 OR { 8057} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 107 and name HD1%) ASSI { 8058} (( segid " " and resid 107 and name HG )) ( segid " " and resid 107 and name HD1%) 2.000 0.500 0.500 peak 8058 weight 0.10000E+01 volume 0.91511E-02 ppm1 0.531 ppm2 1.400 CV 1 ASSI { 8150} (( segid " " and resid 85 and name HB1 )) ( segid " " and resid 85 and name HE% ) 4.600 2.700 1.400 peak 8150 weight 0.10000E+01 volume 0.73203E-03 ppm1 6.595 ppm2 3.166 CV 1 ASSI { 8151} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 85 and name HE% ) 4.700 2.700 1.300 peak 8151 weight 0.10000E+01 volume 0.69835E-03 ppm1 6.593 ppm2 2.963 CV 1 ASSI { 8155} ( segid " " and resid 93 and name HG2%) ( segid " " and resid 85 and name HE% ) 2.500 0.800 0.800 peak 8155 weight 0.10000E+01 volume 0.76106E-02 ppm1 6.594 ppm2 1.173 CV 1 ASSI { 8157} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 85 and name HE% ) 4.600 2.700 1.400 peak 8157 weight 0.10000E+01 volume 0.10204E-02 ppm1 6.593 ppm2 -0.491 CV 1 ASSI { 8158} (( segid " " and resid 84 and name HD1 )) ( segid " " and resid 85 and name HE% ) 4.900 3.000 1.100 peak 8158 weight 0.10000E+01 volume 0.77583E-03 ppm1 6.593 ppm2 7.369 CV 1 ASSI { 8160} (( segid " " and resid 82 and name HN )) ( segid " " and resid 85 and name HE% ) 3.500 1.500 1.500 peak 8160 weight 0.10000E+01 volume 0.11169E-02 ppm1 6.593 ppm2 5.213 CV 1 ASSI { 8203} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HG2%) 4.600 2.700 1.400 peak 8203 weight 0.10000E+01 volume 0.14613E-02 ppm1 1.172 ppm2 8.278 CV 1 ASSI { 8282} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 134 and name HB% ) 2.800 1.000 1.000 peak 8282 weight 0.10000E+01 volume 0.33008E-02 ppm1 0.994 ppm2 2.888 CV 1 ASSI { 8305} (( segid " " and resid 17 and name HN )) ( segid " " and resid 17 and name HD2%) 3.500 1.500 1.500 peak 8305 weight 0.10000E+01 volume 0.39089E-02 ppm1 0.704 ppm2 8.244 CV 1 ASSI { 8307} (( segid " " and resid 111 and name HE22)) ( segid " " and resid 133 and name HD2%) 3.800 1.800 1.800 peak 8307 weight 0.10000E+01 volume 0.92378E-03 ppm1 0.704 ppm2 6.790 CV 1 ASSI { 8308} (( segid " " and resid 46 and name HA )) ( segid " " and resid 133 and name HD2%) 3.000 1.100 1.100 peak 8308 weight 0.10000E+01 volume 0.27736E-02 ppm1 0.698 ppm2 5.107 CV 1 ASSI { 8311} (( segid " " and resid 14 and name HA )) ( segid " " and resid 17 and name HD2%) 2.900 1.000 1.000 peak 8311 weight 0.10000E+01 volume 0.21382E-02 ppm1 0.702 ppm2 4.081 CV 1 ASSI { 8314} (( segid " " and resid 17 and name HG )) ( segid " " and resid 17 and name HD2%) 2.000 0.500 0.500 peak 8314 weight 0.10000E+01 volume 0.18460E-01 ppm1 0.702 ppm2 1.739 CV 1 ASSI { 8367} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HB )) 3.100 1.200 1.200 peak 8367 weight 0.10000E+01 volume 0.78880E-03 ppm1 4.234 ppm2 7.623 CV 1 ASSI { 8387} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG1%) 2.300 0.600 0.600 peak 8387 weight 0.10000E+01 volume 0.13178E-01 ppm1 0.994 ppm2 3.507 CV 1 ASSI { 8388} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 140 and name HG1%) 3.500 1.600 1.600 peak 8388 weight 0.10000E+01 volume 0.13985E-02 ppm1 0.996 ppm2 2.383 CV 1 OR { 8388} (( segid " " and resid 32 and name HG1 )) ( segid " " and resid 140 and name HG1%) ASSI { 8389} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG1%) 2.100 0.600 0.600 peak 8389 weight 0.10000E+01 volume 0.17809E-01 ppm1 0.994 ppm2 2.109 CV 1 ASSI { 8393} (( segid " " and resid 127 and name HN )) ( segid " " and resid 133 and name HD2%) 2.700 0.900 0.900 peak 8393 weight 0.10000E+01 volume 0.44426E-02 ppm1 0.695 ppm2 8.610 CV 1 ASSI { 8396} (( segid " " and resid 132 and name HA )) ( segid " " and resid 133 and name HD2%) 4.100 2.100 1.900 peak 8396 weight 0.10000E+01 volume 0.75123E-03 ppm1 0.695 ppm2 5.648 CV 1 ASSI { 8401} (( segid " " and resid 128 and name HN )) ( segid " " and resid 133 and name HD2%) 4.300 2.300 1.700 peak 8401 weight 0.10000E+01 volume 0.14051E-02 ppm1 0.692 ppm2 9.582 CV 1 ASSI { 8403} (( segid " " and resid 133 and name HG )) ( segid " " and resid 133 and name HD2%) 2.500 0.800 0.800 peak 8403 weight 0.10000E+01 volume 0.45229E-02 ppm1 0.690 ppm2 1.181 CV 1 ASSI { 8406} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HD2%) 2.600 0.900 0.900 peak 8406 weight 0.10000E+01 volume 0.12985E-01 ppm1 0.398 ppm2 4.523 CV 1 ASSI { 8412} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 27 and name HD2%) 1.900 0.500 0.500 peak 8412 weight 0.10000E+01 volume 0.22603E-01 ppm1 0.398 ppm2 1.308 CV 1 OR { 8412} (( segid " " and resid 27 and name HG )) ( segid " " and resid 27 and name HD2%) ASSI { 8446} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB )) 2.400 0.700 0.700 peak 8446 weight 0.10000E+01 volume 0.52362E-02 ppm1 4.226 ppm2 4.727 CV 1 ASSI { 8458} (( segid " " and resid 28 and name HN )) ( segid " " and resid 27 and name HD2%) 3.600 1.600 1.600 peak 8458 weight 0.10000E+01 volume 0.50650E-02 ppm1 0.398 ppm2 8.709 CV 1 ASSI { 8461} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 27 and name HD2%) 4.300 2.300 1.700 peak 8461 weight 0.10000E+01 volume 0.13451E-02 ppm1 0.399 ppm2 7.152 CV 1 ASSI { 8464} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD2%) 2.800 1.000 1.000 peak 8464 weight 0.10000E+01 volume 0.11462E-01 ppm1 0.401 ppm2 1.706 CV 1 ASSI { 8518} (( segid " " and resid 65 and name HA )) (( segid " " and resid 143 and name HB )) 4.200 2.200 1.800 peak 8518 weight 0.10000E+01 volume 0.75279E-03 ppm1 4.214 ppm2 4.481 CV 1 ASSI { 8522} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 12 and name HB )) 3.900 1.900 1.900 peak 8522 weight 0.10000E+01 volume 0.58367E-03 ppm1 4.214 ppm2 3.875 CV 1 OR { 8522} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 12 and name HB )) ASSI { 8568} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 143 and name HB )) 4.200 2.200 1.800 peak 8568 weight 0.10000E+01 volume 0.15921E-02 ppm1 4.216 ppm2 0.950 CV 1 OR { 8568} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 143 and name HB )) ASSI { 8579} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG )) 3.100 1.200 1.200 peak 8579 weight 0.10000E+01 volume 0.37024E-02 ppm1 0.938 ppm2 8.346 CV 1 ASSI { 8581} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 20 and name HG )) 2.600 0.900 0.900 peak 8581 weight 0.10000E+01 volume 0.36538E-02 ppm1 0.937 ppm2 6.753 CV 1 ASSI { 8586} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 20 and name HG )) 1.900 0.400 0.400 peak 8586 weight 0.10000E+01 volume 0.17785E-01 ppm1 0.939 ppm2 0.570 CV 1 ASSI { 8638} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 20 and name HG )) 2.100 0.600 0.600 peak 8638 weight 0.10000E+01 volume 0.99161E-02 ppm1 0.935 ppm2 1.792 CV 1 OR { 8638} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 20 and name HG )) ASSI { 8645} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HD2%) 3.800 1.800 1.800 peak 8645 weight 0.10000E+01 volume 0.17448E-02 ppm1 0.491 ppm2 8.553 CV 1 ASSI { 8646} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD2%) 3.700 1.700 1.700 peak 8646 weight 0.10000E+01 volume 0.44398E-02 ppm1 0.490 ppm2 8.363 CV 1 ASSI { 8648} (( segid " " and resid 125 and name HA )) ( segid " " and resid 20 and name HD2%) 4.200 2.200 1.800 peak 8648 weight 0.10000E+01 volume 0.24534E-02 ppm1 0.493 ppm2 4.804 CV 1 ASSI { 8654} (( segid " " and resid 20 and name HG )) ( segid " " and resid 20 and name HD2%) 1.900 0.500 0.500 peak 8654 weight 0.10000E+01 volume 0.11409E-01 ppm1 0.490 ppm2 0.990 CV 1 ASSI { 8696} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HE% ) 4.100 2.100 1.900 peak 8696 weight 0.10000E+01 volume 0.74818E-03 ppm1 6.694 ppm2 8.107 CV 1 ASSI { 8698} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 35 and name HE% ) 2.100 0.600 0.600 peak 8698 weight 0.10000E+01 volume 0.16163E-01 ppm1 6.693 ppm2 7.221 CV 1 ASSI { 8703} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HE% ) 3.900 1.900 1.900 peak 8703 weight 0.10000E+01 volume 0.86100E-03 ppm1 6.693 ppm2 4.985 CV 1 ASSI { 8706} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 35 and name HE% ) 2.600 0.800 0.800 peak 8706 weight 0.10000E+01 volume 0.72451E-02 ppm1 6.693 ppm2 3.702 CV 1 OR { 8706} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 35 and name HE% ) ASSI { 8707} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HE% ) 4.700 2.800 1.300 peak 8707 weight 0.10000E+01 volume 0.79348E-03 ppm1 6.693 ppm2 3.157 CV 1 ASSI { 8708} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HE% ) 4.700 2.800 1.300 peak 8708 weight 0.10000E+01 volume 0.76989E-03 ppm1 6.694 ppm2 2.947 CV 1 ASSI { 8709} (( segid " " and resid 139 and name HE2 )) ( segid " " and resid 35 and name HE% ) 3.900 1.900 1.900 peak 8709 weight 0.10000E+01 volume 0.64276E-03 ppm1 6.695 ppm2 2.728 CV 1 OR { 8709} (( segid " " and resid 139 and name HE1 )) ( segid " " and resid 35 and name HE% ) ASSI { 8712} (( segid " " and resid 139 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.700 1.700 1.700 peak 8712 weight 0.10000E+01 volume 0.96361E-03 ppm1 6.693 ppm2 0.317 CV 1 OR { 8712} (( segid " " and resid 139 and name HG2 )) ( segid " " and resid 35 and name HE% ) ASSI { 8735} (( segid " " and resid 110 and name HD1 )) (( segid " " and resid 20 and name HG )) 4.800 2.800 1.200 peak 8735 weight 0.10000E+01 volume 0.60772E-03 ppm1 0.947 ppm2 3.629 CV 1 ASSI { 8738} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 99 and name HD1%) 2.300 0.600 0.600 peak 8738 weight 0.10000E+01 volume 0.10343E-01 ppm1 0.497 ppm2 1.126 CV 1 OR { 8738} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 99 and name HD1%) ASSI { 8745} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 20 and name HD2%) 2.800 1.000 1.000 peak 8745 weight 0.10000E+01 volume 0.42831E-02 ppm1 0.496 ppm2 3.451 CV 1 ASSI { 8749} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HG1%) 3.600 1.600 1.600 peak 8749 weight 0.10000E+01 volume 0.19720E-02 ppm1 0.422 ppm2 8.204 CV 1 ASSI { 8752} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 54 and name HG1%) 3.200 1.300 1.300 peak 8752 weight 0.10000E+01 volume 0.32571E-02 ppm1 0.421 ppm2 6.938 CV 1 ASSI { 8759} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 54 and name HG1%) 4.600 2.600 1.400 peak 8759 weight 0.10000E+01 volume 0.64240E-03 ppm1 0.422 ppm2 2.571 CV 1 ASSI { 8793} (( segid " " and resid 111 and name HE21)) ( segid " " and resid 113 and name HE% ) 4.200 2.200 1.800 peak 8793 weight 0.10000E+01 volume 0.69794E-03 ppm1 6.559 ppm2 7.222 CV 1 ASSI { 8794} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 113 and name HE% ) 1.900 0.400 0.400 peak 8794 weight 0.10000E+01 volume 0.17528E-01 ppm1 6.561 ppm2 6.930 CV 1 ASSI { 8797} (( segid " " and resid 52 and name HA )) ( segid " " and resid 113 and name HE% ) 3.200 1.300 1.300 peak 8797 weight 0.10000E+01 volume 0.18315E-02 ppm1 6.562 ppm2 3.783 CV 1 ASSI { 8799} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 113 and name HE% ) 3.700 1.700 1.700 peak 8799 weight 0.10000E+01 volume 0.10500E-02 ppm1 6.562 ppm2 2.379 CV 1 OR { 8799} (( segid " " and resid 111 and name HG1 )) ( segid " " and resid 113 and name HE% ) ASSI { 8800} (( segid " " and resid 111 and name HB1 )) ( segid " " and resid 113 and name HE% ) 3.700 1.700 1.700 peak 8800 weight 0.10000E+01 volume 0.22288E-02 ppm1 6.562 ppm2 1.890 CV 1 ASSI { 8803} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 113 and name HE% ) 3.000 1.100 1.100 peak 8803 weight 0.10000E+01 volume 0.16692E-02 ppm1 6.560 ppm2 0.858 CV 1 OR { 8803} (( segid " " and resid 125 and name HG11)) ( segid " " and resid 113 and name HE% ) OR { 8803} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 113 and name HE% ) ASSI { 8828} (( segid " " and resid 93 and name HA )) ( segid " " and resid 92 and name HG1%) 4.200 2.200 1.800 peak 8828 weight 0.10000E+01 volume 0.17687E-02 ppm1 1.347 ppm2 4.128 CV 1 ASSI { 8829} (( segid " " and resid 89 and name HA )) ( segid " " and resid 92 and name HG1%) 4.200 2.200 1.800 peak 8829 weight 0.10000E+01 volume 0.14803E-02 ppm1 1.346 ppm2 3.874 CV 1 ASSI { 8836} (( segid " " and resid 95 and name HG1 )) ( segid " " and resid 92 and name HG1%) 4.400 2.500 1.600 peak 8836 weight 0.10000E+01 volume 0.10510E-02 ppm1 1.344 ppm2 1.835 CV 1 ASSI { 8848} (( segid " " and resid 61 and name HN )) ( segid " " and resid 55 and name HD1%) 4.000 2.000 2.000 peak 8848 weight 0.10000E+01 volume 0.85271E-03 ppm1 0.582 ppm2 8.570 CV 1 ASSI { 8854} ( segid " " and resid 66 and name HD% ) ( segid " " and resid 55 and name HD1%) 3.500 1.500 1.500 peak 8854 weight 0.10000E+01 volume 0.18838E-02 ppm1 0.583 ppm2 6.998 CV 1 ASSI { 8856} (( segid " " and resid 68 and name HA )) ( segid " " and resid 55 and name HD1%) 2.400 0.700 0.700 peak 8856 weight 0.10000E+01 volume 0.50100E-02 ppm1 0.581 ppm2 4.726 CV 1 ASSI { 8857} (( segid " " and resid 60 and name HA )) ( segid " " and resid 55 and name HD1%) 4.600 2.600 1.400 peak 8857 weight 0.10000E+01 volume 0.76096E-03 ppm1 0.585 ppm2 4.476 CV 1 ASSI { 8859} (( segid " " and resid 61 and name HA1 )) ( segid " " and resid 55 and name HD1%) 2.000 0.500 0.500 peak 8859 weight 0.10000E+01 volume 0.26467E-02 ppm1 0.584 ppm2 3.954 CV 1 ASSI { 8862} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 55 and name HD1%) 4.600 2.600 1.400 peak 8862 weight 0.10000E+01 volume 0.65925E-03 ppm1 0.587 ppm2 2.973 CV 1 ASSI { 8888} (( segid " " and resid 125 and name HN )) ( segid " " and resid 113 and name HE% ) 3.300 1.300 1.300 peak 8888 weight 0.10000E+01 volume 0.10714E-02 ppm1 6.560 ppm2 8.840 CV 1 ASSI { 8899} (( segid " " and resid 95 and name HN )) ( segid " " and resid 92 and name HG1%) 4.900 3.000 1.100 peak 8899 weight 0.10000E+01 volume 0.12582E-02 ppm1 1.346 ppm2 7.899 CV 1 ASSI { 8904} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG2%) 1.900 0.500 0.500 peak 8904 weight 0.10000E+01 volume 0.17289E-01 ppm1 0.903 ppm2 1.945 CV 1 ASSI { 8906} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 8906 weight 0.10000E+01 volume 0.59293E-02 ppm1 0.903 ppm2 1.521 CV 1 OR { 8906} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 39 and name HG2%) ASSI { 8933} (( segid " " and resid 121 and name HB1 )) ( segid " " and resid 123 and name HE% ) 2.900 1.100 1.100 peak 8933 weight 0.10000E+01 volume 0.28079E-02 ppm1 6.524 ppm2 2.551 CV 1 ASSI { 8956} (( segid " " and resid 136 and name HA )) ( segid " " and resid 39 and name HG2%) 4.000 2.000 2.000 peak 8956 weight 0.10000E+01 volume 0.15431E-02 ppm1 0.903 ppm2 5.684 CV 1 ASSI { 8984} (( segid " " and resid 58 and name HA )) ( segid " " and resid 123 and name HE% ) 5.200 3.400 0.800 peak 8984 weight 0.10000E+01 volume 0.79126E-03 ppm1 6.523 ppm2 4.222 CV 1 ASSI { 8985} (( segid " " and resid 137 and name HB1 )) ( segid " " and resid 123 and name HE% ) 3.700 1.700 1.700 peak 8985 weight 0.10000E+01 volume 0.90313E-03 ppm1 6.524 ppm2 3.576 CV 1 ASSI { 8986} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 123 and name HE% ) 4.200 2.200 1.800 peak 8986 weight 0.10000E+01 volume 0.95749E-03 ppm1 6.522 ppm2 3.477 CV 1 ASSI { 9014} (( segid " " and resid 49 and name HB )) ( segid " " and resid 49 and name HG2%) 2.200 0.600 0.600 peak 9014 weight 0.10000E+01 volume 0.13267E-01 ppm1 0.725 ppm2 2.110 CV 1 ASSI { 9034} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 59 and name HA1 )) 1.900 0.400 0.400 peak 9034 weight 0.10000E+01 volume 0.15382E-01 ppm1 3.907 ppm2 3.741 CV 1 ASSI { 9120} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.700 0.900 0.900 peak 9120 weight 0.10000E+01 volume 0.15490E-02 ppm1 1.781 ppm2 4.422 CV 1 ASSI { 9122} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB1 )) 2.600 0.900 0.900 peak 9122 weight 0.10000E+01 volume 0.56015E-02 ppm1 1.781 ppm2 0.841 CV 1 OR { 9122} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB1 )) ASSI { 9127} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 3.100 1.200 1.200 peak 9127 weight 0.10000E+01 volume 0.14196E-02 ppm1 1.544 ppm2 4.426 CV 1 ASSI { 9128} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HB2 )) 2.000 0.500 0.500 peak 9128 weight 0.10000E+01 volume 0.71852E-02 ppm1 1.544 ppm2 1.781 CV 1 OR { 9128} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HB2 )) ASSI { 9163} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 10 and name HB )) 4.400 2.400 1.600 peak 9163 weight 0.10000E+01 volume 0.81931E-03 ppm1 4.178 ppm2 4.003 CV 1 ASSI { 9164} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 10 and name HB )) 4.500 2.600 1.500 peak 9164 weight 0.10000E+01 volume 0.61461E-03 ppm1 4.174 ppm2 2.448 CV 1 ASSI { 9166} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 10 and name HB )) 3.400 1.500 1.500 peak 9166 weight 0.10000E+01 volume 0.68471E-03 ppm1 4.174 ppm2 1.978 CV 1 ASSI { 9194} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 1.800 0.400 0.400 peak 9194 weight 0.10000E+01 volume 0.94485E-02 ppm1 1.781 ppm2 1.524 CV 1 ASSI { 9195} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB2 )) 2.600 0.900 0.900 peak 9195 weight 0.10000E+01 volume 0.53061E-02 ppm1 1.543 ppm2 0.837 CV 1 OR { 9195} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB2 )) ASSI { 9234} (( segid " " and resid 97 and name HN )) ( segid " " and resid 79 and name HG2%) 3.200 1.300 1.300 peak 9234 weight 0.10000E+01 volume 0.22912E-02 ppm1 1.275 ppm2 8.807 CV 1 ASSI { 9237} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 79 and name HG2%) 2.900 1.000 1.000 peak 9237 weight 0.10000E+01 volume 0.26062E-02 ppm1 1.274 ppm2 7.483 CV 1 ASSI { 9240} (( segid " " and resid 79 and name HA )) ( segid " " and resid 79 and name HG2%) 2.000 0.500 0.500 peak 9240 weight 0.10000E+01 volume 0.18553E-01 ppm1 1.274 ppm2 4.710 CV 1 ASSI { 9241} (( segid " " and resid 79 and name HB )) ( segid " " and resid 79 and name HG2%) 2.200 0.600 0.600 peak 9241 weight 0.10000E+01 volume 0.90991E-02 ppm1 1.274 ppm2 4.474 CV 1 ASSI { 9246} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 79 and name HG2%) 3.700 1.700 1.700 peak 9246 weight 0.10000E+01 volume 0.35939E-02 ppm1 1.274 ppm2 3.330 CV 1 ASSI { 9249} (( segid " " and resid 97 and name HG1 )) ( segid " " and resid 79 and name HG2%) 2.700 0.900 0.900 peak 9249 weight 0.10000E+01 volume 0.33113E-02 ppm1 1.274 ppm2 2.505 CV 1 ASSI { 9250} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 79 and name HG2%) 4.300 2.300 1.700 peak 9250 weight 0.10000E+01 volume 0.12168E-02 ppm1 1.272 ppm2 2.060 CV 1 ASSI { 9251} (( segid " " and resid 81 and name HG1 )) ( segid " " and resid 79 and name HG2%) 4.200 2.200 1.800 peak 9251 weight 0.10000E+01 volume 0.13825E-02 ppm1 1.272 ppm2 1.779 CV 1 ASSI { 9255} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HG2%) 2.600 0.900 0.900 peak 9255 weight 0.10000E+01 volume 0.50192E-02 ppm1 1.017 ppm2 8.791 CV 1 ASSI { 9257} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 141 and name HG2%) 4.700 2.800 1.300 peak 9257 weight 0.10000E+01 volume 0.25609E-02 ppm1 1.016 ppm2 7.202 CV 1 ASSI { 9262} (( segid " " and resid 32 and name HA )) ( segid " " and resid 141 and name HG2%) 3.600 1.700 1.700 peak 9262 weight 0.10000E+01 volume 0.49998E-02 ppm1 1.016 ppm2 4.471 CV 1 ASSI { 9284} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 26 and name HA2 )) 1.800 0.400 0.400 peak 9284 weight 0.10000E+01 volume 0.18183E-01 ppm1 4.140 ppm2 3.738 CV 1 ASSI { 9288} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA1 )) 2.500 0.800 0.800 peak 9288 weight 0.10000E+01 volume 0.48068E-02 ppm1 3.739 ppm2 8.855 CV 1 ASSI { 9305} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HB )) 2.300 0.700 0.700 peak 9305 weight 0.10000E+01 volume 0.10159E-01 ppm1 4.176 ppm2 1.159 CV 1 ASSI { 9334} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HG1%) 2.700 0.900 0.900 peak 9334 weight 0.10000E+01 volume 0.42834E-02 ppm1 0.827 ppm2 7.718 CV 1 ASSI { 9336} (( segid " " and resid 90 and name HD21)) ( segid " " and resid 93 and name HG1%) 3.700 1.700 1.700 peak 9336 weight 0.10000E+01 volume 0.14896E-02 ppm1 0.828 ppm2 7.282 CV 1 ASSI { 9338} ( segid " " and resid 85 and name HE% ) ( segid " " and resid 93 and name HG1%) 3.400 1.500 1.500 peak 9338 weight 0.10000E+01 volume 0.17806E-02 ppm1 0.828 ppm2 6.594 CV 1 ASSI { 9342} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HG1%) 2.700 0.900 0.900 peak 9342 weight 0.10000E+01 volume 0.11411E-01 ppm1 0.828 ppm2 4.162 CV 1 ASSI { 9344} (( segid " " and resid 81 and name HD2 )) ( segid " " and resid 93 and name HG1%) 3.500 1.500 1.500 peak 9344 weight 0.10000E+01 volume 0.22727E-02 ppm1 0.827 ppm2 3.795 CV 1 ASSI { 9346} (( segid " " and resid 93 and name HB )) ( segid " " and resid 93 and name HG1%) 2.000 0.500 0.500 peak 9346 weight 0.10000E+01 volume 0.15279E-01 ppm1 0.828 ppm2 2.381 CV 1 ASSI { 9365} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 3.500 1.600 1.600 peak 9365 weight 0.10000E+01 volume 0.13426E-02 ppm1 7.666 ppm2 7.326 CV 1 ASSI { 9401} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG2%) 2.600 0.800 0.800 peak 9401 weight 0.10000E+01 volume 0.63327E-02 ppm1 1.162 ppm2 4.345 CV 1 ASSI { 9403} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 10 and name HG2%) 4.400 2.400 1.600 peak 9403 weight 0.10000E+01 volume 0.10947E-02 ppm1 1.165 ppm2 2.461 CV 1 ASSI { 9404} (( segid " " and resid 129 and name HB1 )) ( segid " " and resid 10 and name HG2%) 3.900 1.900 1.900 peak 9404 weight 0.10000E+01 volume 0.58070E-03 ppm1 1.165 ppm2 2.248 CV 1 ASSI { 9420} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 93 and name HG1%) 2.700 0.900 0.900 peak 9420 weight 0.10000E+01 volume 0.40175E-02 ppm1 0.829 ppm2 1.962 CV 1 ASSI { 9431} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 122 and name HG1%) 3.600 1.600 1.600 peak 9431 weight 0.10000E+01 volume 0.10927E-02 ppm1 0.576 ppm2 6.517 CV 1 ASSI { 9432} (( segid " " and resid 115 and name HN )) ( segid " " and resid 122 and name HG1%) 4.000 2.000 2.000 peak 9432 weight 0.10000E+01 volume 0.17094E-02 ppm1 0.571 ppm2 9.336 CV 1 ASSI { 9435} (( segid " " and resid 138 and name HN )) ( segid " " and resid 122 and name HG1%) 3.600 1.600 1.600 peak 9435 weight 0.10000E+01 volume 0.11367E-02 ppm1 0.572 ppm2 8.814 CV 1 ASSI { 9437} (( segid " " and resid 140 and name HN )) ( segid " " and resid 122 and name HG1%) 3.600 1.600 1.600 peak 9437 weight 0.10000E+01 volume 0.23009E-02 ppm1 0.570 ppm2 8.335 CV 1 ASSI { 9438} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HG1%) 2.800 0.900 0.900 peak 9438 weight 0.10000E+01 volume 0.45664E-02 ppm1 0.571 ppm2 8.220 CV 1 ASSI { 9440} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 122 and name HG1%) 3.100 1.200 1.200 peak 9440 weight 0.10000E+01 volume 0.22308E-02 ppm1 0.572 ppm2 6.366 CV 1 ASSI { 9445} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 122 and name HG1%) 3.600 1.600 1.600 peak 9445 weight 0.10000E+01 volume 0.90927E-03 ppm1 0.574 ppm2 3.107 CV 1 ASSI { 9446} (( segid " " and resid 140 and name HB )) ( segid " " and resid 122 and name HG1%) 3.200 1.300 1.300 peak 9446 weight 0.10000E+01 volume 0.41096E-02 ppm1 0.572 ppm2 1.791 CV 1 ASSI { 9447} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 122 and name HG1%) 2.700 0.900 0.900 peak 9447 weight 0.10000E+01 volume 0.47564E-02 ppm1 0.571 ppm2 1.634 CV 1 OR { 9447} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 122 and name HG1%) ASSI { 9449} (( segid " " and resid 122 and name HB )) ( segid " " and resid 122 and name HG1%) 2.100 0.500 0.500 peak 9449 weight 0.10000E+01 volume 0.16007E-01 ppm1 0.571 ppm2 1.288 CV 1 ASSI { 9458} (( segid " " and resid 113 and name HN )) ( segid " " and resid 122 and name HG2%) 3.700 1.700 1.700 peak 9458 weight 0.10000E+01 volume 0.12877E-02 ppm1 0.139 ppm2 9.391 CV 1 ASSI { 9459} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HG2%) 2.800 0.900 0.900 peak 9459 weight 0.10000E+01 volume 0.53325E-02 ppm1 0.139 ppm2 9.001 CV 1 ASSI { 9460} (( segid " " and resid 138 and name HN )) ( segid " " and resid 122 and name HG2%) 3.500 1.500 1.500 peak 9460 weight 0.10000E+01 volume 0.11124E-02 ppm1 0.139 ppm2 8.821 CV 1 ASSI { 9461} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HG2%) 3.300 1.400 1.400 peak 9461 weight 0.10000E+01 volume 0.17460E-02 ppm1 0.139 ppm2 8.216 CV 1 ASSI { 9462} ( segid " " and resid 123 and name HD% ) ( segid " " and resid 122 and name HG2%) 4.100 2.100 1.900 peak 9462 weight 0.10000E+01 volume 0.90745E-03 ppm1 0.139 ppm2 6.658 CV 1 ASSI { 9463} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 122 and name HG2%) 3.400 1.400 1.400 peak 9463 weight 0.10000E+01 volume 0.19775E-02 ppm1 0.138 ppm2 6.514 CV 1 ASSI { 9466} (( segid " " and resid 137 and name HA )) ( segid " " and resid 122 and name HG2%) 4.000 2.000 2.000 peak 9466 weight 0.10000E+01 volume 0.60250E-03 ppm1 0.138 ppm2 5.716 CV 1 ASSI { 9469} (( segid " " and resid 114 and name HD2 )) ( segid " " and resid 122 and name HG2%) 3.900 1.900 1.900 peak 9469 weight 0.10000E+01 volume 0.75458E-03 ppm1 0.138 ppm2 3.089 CV 1 ASSI { 9471} (( segid " " and resid 112 and name HB )) ( segid " " and resid 122 and name HG2%) 4.400 2.400 1.600 peak 9471 weight 0.10000E+01 volume 0.75625E-03 ppm1 0.139 ppm2 1.856 CV 1 ASSI { 9472} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 122 and name HG2%) 3.500 1.500 1.500 peak 9472 weight 0.10000E+01 volume 0.16584E-02 ppm1 0.139 ppm2 1.639 CV 1 OR { 9472} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 122 and name HG2%) ASSI { 9473} (( segid " " and resid 122 and name HB )) ( segid " " and resid 122 and name HG2%) 2.100 0.600 0.600 peak 9473 weight 0.10000E+01 volume 0.14124E-01 ppm1 0.138 ppm2 1.291 CV 1 ASSI { 9474} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 122 and name HG2%) 2.800 1.000 1.000 peak 9474 weight 0.10000E+01 volume 0.55037E-02 ppm1 0.138 ppm2 0.837 CV 1 OR { 9474} ( segid " " and resid 124 and name HG1%) ( segid " " and resid 122 and name HG2%) ASSI { 9521} (( segid " " and resid 129 and name HG1 )) ( segid " " and resid 10 and name HG2%) 3.100 1.200 1.200 peak 9521 weight 0.10000E+01 volume 0.12552E-02 ppm1 1.159 ppm2 1.978 CV 1 ASSI { 9527} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HG2%) 2.700 0.900 0.900 peak 9527 weight 0.10000E+01 volume 0.83740E-02 ppm1 0.956 ppm2 8.293 CV 1 OR { 9527} (( segid " " and resid 119 and name HN )) ( segid " " and resid 118 and name HG1%) ASSI { 9530} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HG1%) 2.100 0.600 0.600 peak 9530 weight 0.10000E+01 volume 0.21285E-01 ppm1 0.957 ppm2 3.613 CV 1 OR { 9530} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HG2%) ASSI { 9531} (( segid " " and resid 118 and name HB )) ( segid " " and resid 118 and name HG1%) 1.900 0.500 0.500 peak 9531 weight 0.10000E+01 volume 0.31808E-01 ppm1 0.956 ppm2 2.621 CV 1 OR { 9531} (( segid " " and resid 118 and name HB )) ( segid " " and resid 118 and name HG2%) ASSI { 9536} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HG2%) 3.800 1.800 1.800 peak 9536 weight 0.10000E+01 volume 0.17835E-02 ppm1 0.629 ppm2 9.410 CV 1 ASSI { 9538} (( segid " " and resid 71 and name HN )) ( segid " " and resid 112 and name HG2%) 3.400 1.500 1.500 peak 9538 weight 0.10000E+01 volume 0.16862E-02 ppm1 0.629 ppm2 9.089 CV 1 ASSI { 9541} (( segid " " and resid 75 and name HN )) ( segid " " and resid 112 and name HG2%) 3.500 1.500 1.500 peak 9541 weight 0.10000E+01 volume 0.86162E-03 ppm1 0.630 ppm2 7.768 CV 1 ASSI { 9542} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 112 and name HG2%) 3.300 1.400 1.400 peak 9542 weight 0.10000E+01 volume 0.99606E-03 ppm1 0.631 ppm2 7.695 CV 1 ASSI { 9543} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 112 and name HG2%) 3.100 1.200 1.200 peak 9543 weight 0.10000E+01 volume 0.12578E-02 ppm1 0.629 ppm2 7.309 CV 1 ASSI { 9545} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 112 and name HG2%) 3.000 1.100 1.100 peak 9545 weight 0.10000E+01 volume 0.35314E-02 ppm1 0.629 ppm2 6.535 CV 1 ASSI { 9547} (( segid " " and resid 74 and name HA )) ( segid " " and resid 112 and name HG2%) 4.400 2.400 1.600 peak 9547 weight 0.10000E+01 volume 0.14787E-02 ppm1 0.628 ppm2 4.228 CV 1 ASSI { 9550} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 112 and name HG2%) 2.000 0.500 0.500 peak 9550 weight 0.10000E+01 volume 0.44554E-02 ppm1 0.630 ppm2 2.855 CV 1 ASSI { 9551} (( segid " " and resid 124 and name HB )) ( segid " " and resid 112 and name HG2%) 4.400 2.400 1.600 peak 9551 weight 0.10000E+01 volume 0.74422E-03 ppm1 0.631 ppm2 2.410 CV 1 ASSI { 9552} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG2%) 1.900 0.400 0.400 peak 9552 weight 0.10000E+01 volume 0.11123E-01 ppm1 0.629 ppm2 1.874 CV 1 ASSI { 9557} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 112 and name HG2%) 4.400 2.400 1.600 peak 9557 weight 0.10000E+01 volume 0.98313E-03 ppm1 0.626 ppm2 6.373 CV 1 ASSI { 9562} (( segid " " and resid 125 and name HG11)) ( segid " " and resid 54 and name HG2%) 3.700 1.700 1.700 peak 9562 weight 0.10000E+01 volume 0.14797E-02 ppm1 0.424 ppm2 0.895 CV 1 OR { 9562} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 54 and name HG2%) OR { 9562} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 54 and name HG2%) ASSI { 9631} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG2%) 2.500 0.800 0.800 peak 9631 weight 0.10000E+01 volume 0.30206E-02 ppm1 0.972 ppm2 9.229 CV 1 ASSI { 9633} (( segid " " and resid 112 and name HN )) ( segid " " and resid 69 and name HG2%) 4.500 2.500 1.500 peak 9633 weight 0.10000E+01 volume 0.79794E-03 ppm1 0.972 ppm2 7.926 CV 1 ASSI { 9634} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 69 and name HG2%) 3.500 1.600 1.600 peak 9634 weight 0.10000E+01 volume 0.26111E-02 ppm1 0.973 ppm2 6.533 CV 1 ASSI { 9636} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG2%) 2.500 0.800 0.800 peak 9636 weight 0.10000E+01 volume 0.99463E-02 ppm1 0.973 ppm2 4.594 CV 1 ASSI { 9637} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 69 and name HG2%) 4.100 2.100 1.900 peak 9637 weight 0.10000E+01 volume 0.29080E-02 ppm1 0.974 ppm2 3.996 CV 1 OR { 9637} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 69 and name HG2%) ASSI { 9638} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 69 and name HG2%) 3.300 1.400 1.400 peak 9638 weight 0.10000E+01 volume 0.32266E-02 ppm1 0.974 ppm2 3.076 CV 1 ASSI { 9642} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 69 and name HG2%) 2.700 0.900 0.900 peak 9642 weight 0.10000E+01 volume 0.22825E-02 ppm1 0.973 ppm2 1.326 CV 1 OR { 9642} (( segid " " and resid 114 and name HG1 )) ( segid " " and resid 69 and name HG2%) ASSI { 9648} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HG2%) 3.500 1.500 1.500 peak 9648 weight 0.10000E+01 volume 0.29768E-02 ppm1 0.426 ppm2 7.398 CV 1 ASSI { 9650} (( segid " " and resid 42 and name HZ3 )) ( segid " " and resid 54 and name HG2%) 2.700 0.900 0.900 peak 9650 weight 0.10000E+01 volume 0.39297E-02 ppm1 0.425 ppm2 6.171 CV 1 OR { 9650} (( segid " " and resid 42 and name HZ2 )) ( segid " " and resid 54 and name HG2%) ASSI { 9653} (( segid " " and resid 55 and name HA )) ( segid " " and resid 54 and name HG2%) 3.300 1.400 1.400 peak 9653 weight 0.10000E+01 volume 0.14231E-02 ppm1 0.425 ppm2 3.612 CV 1 ASSI { 9655} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 54 and name HG2%) 3.600 1.600 1.600 peak 9655 weight 0.10000E+01 volume 0.90088E-03 ppm1 0.425 ppm2 2.777 CV 1 ASSI { 9656} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 54 and name HG2%) 3.200 1.300 1.300 peak 9656 weight 0.10000E+01 volume 0.17126E-02 ppm1 0.425 ppm2 2.555 CV 1 ASSI { 9657} (( segid " " and resid 54 and name HB )) ( segid " " and resid 54 and name HG2%) 2.200 0.600 0.600 peak 9657 weight 0.10000E+01 volume 0.11530E-01 ppm1 0.428 ppm2 1.703 CV 1 ASSI { 9681} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA2 )) 3.000 1.100 1.100 peak 9681 weight 0.10000E+01 volume 0.11460E-02 ppm1 4.902 ppm2 6.798 CV 1 ASSI { 9683} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 135 and name HA2 )) 2.400 0.700 0.700 peak 9683 weight 0.10000E+01 volume 0.24839E-02 ppm1 4.906 ppm2 0.582 CV 1 ASSI { 9693} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HA2 )) 4.400 2.400 1.600 peak 9693 weight 0.10000E+01 volume 0.59785E-03 ppm1 4.006 ppm2 2.071 CV 1 OR { 9693} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HA1 )) OR { 9693} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HA1 )) OR { 9693} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HA2 )) ASSI { 9723} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA2 )) 2.500 0.800 0.800 peak 9723 weight 0.10000E+01 volume 0.26981E-02 ppm1 4.902 ppm2 7.849 CV 1 ASSI { 9725} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 135 and name HA2 )) 1.800 0.400 0.400 peak 9725 weight 0.10000E+01 volume 0.71230E-02 ppm1 4.903 ppm2 2.902 CV 1 ASSI { 9751} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA1 )) 2.500 0.800 0.800 peak 9751 weight 0.10000E+01 volume 0.30354E-02 ppm1 2.904 ppm2 7.850 CV 1 ASSI { 9752} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA1 )) 2.800 1.000 1.000 peak 9752 weight 0.10000E+01 volume 0.16494E-02 ppm1 2.903 ppm2 6.793 CV 1 ASSI { 9778} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 102 and name HG2%) 4.800 2.900 1.200 peak 9778 weight 0.10000E+01 volume 0.65983E-03 ppm1 0.689 ppm2 1.169 CV 1 OR { 9778} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 102 and name HG2%) ASSI { 9838} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HG2%) 2.900 1.100 1.100 peak 9838 weight 0.10000E+01 volume 0.26873E-02 ppm1 0.688 ppm2 8.334 CV 1 ASSI { 9842} (( segid " " and resid 103 and name HA )) ( segid " " and resid 102 and name HG2%) 3.500 1.500 1.500 peak 9842 weight 0.10000E+01 volume 0.15495E-02 ppm1 0.689 ppm2 3.960 CV 1 ASSI { 9843} (( segid " " and resid 99 and name HA )) ( segid " " and resid 102 and name HG2%) 2.800 1.000 1.000 peak 9843 weight 0.10000E+01 volume 0.51971E-02 ppm1 0.688 ppm2 3.725 CV 1 ASSI { 9844} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG2%) 2.800 0.900 0.900 peak 9844 weight 0.10000E+01 volume 0.69208E-02 ppm1 0.688 ppm2 3.505 CV 1 ASSI { 9847} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG2%) 2.200 0.600 0.600 peak 9847 weight 0.10000E+01 volume 0.12452E-01 ppm1 0.689 ppm2 2.092 CV 1 ASSI { 9848} (( segid " " and resid 103 and name HG11)) ( segid " " and resid 102 and name HG2%) 2.900 1.000 1.000 peak 9848 weight 0.10000E+01 volume 0.26638E-02 ppm1 0.688 ppm2 1.671 CV 1 OR { 9848} (( segid " " and resid 103 and name HG12)) ( segid " " and resid 102 and name HG2%) ASSI { 9855} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG1%) 3.000 1.200 1.200 peak 9855 weight 0.10000E+01 volume 0.31314E-02 ppm1 0.454 ppm2 9.231 CV 1 ASSI { 9865} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) 1.900 0.500 0.500 peak 9865 weight 0.10000E+01 volume 0.19018E-01 ppm1 0.453 ppm2 1.671 CV 1 ASSI { 9931} (( segid " " and resid 120 and name HN )) ( segid " " and resid 141 and name HG1%) 5.200 3.300 0.800 peak 9931 weight 0.10000E+01 volume 0.73979E-03 ppm1 0.912 ppm2 9.160 CV 1 ASSI { 9937} (( segid " " and resid 119 and name HA )) ( segid " " and resid 141 and name HG1%) 3.200 1.300 1.300 peak 9937 weight 0.10000E+01 volume 0.42268E-02 ppm1 0.909 ppm2 4.693 CV 1 ASSI { 9938} (( segid " " and resid 32 and name HA )) ( segid " " and resid 141 and name HG1%) 4.500 2.500 1.500 peak 9938 weight 0.10000E+01 volume 0.15728E-02 ppm1 0.912 ppm2 4.459 CV 1 ASSI { 9939} (( segid " " and resid 32 and name HG1 )) ( segid " " and resid 141 and name HG1%) 3.600 1.600 1.600 peak 9939 weight 0.10000E+01 volume 0.26377E-02 ppm1 0.911 ppm2 2.424 CV 1 OR { 9939} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 141 and name HG1%) ASSI { 9948} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG1%) 3.400 1.500 1.500 peak 9948 weight 0.10000E+01 volume 0.40093E-02 ppm1 0.831 ppm2 8.855 CV 1 ASSI { 9952} (( segid " " and resid 110 and name HA )) ( segid " " and resid 124 and name HG1%) 5.000 3.100 1.000 peak 9952 weight 0.10000E+01 volume 0.60813E-03 ppm1 0.830 ppm2 5.220 CV 1 ASSI { 9954} (( segid " " and resid 124 and name HB )) ( segid " " and resid 124 and name HG1%) 2.200 0.600 0.600 peak 9954 weight 0.10000E+01 volume 0.92680E-02 ppm1 0.831 ppm2 2.429 CV 1 ASSI { 9955} (( segid " " and resid 71 and name HG12)) ( segid " " and resid 124 and name HG1%) 3.600 1.600 1.600 peak 9955 weight 0.10000E+01 volume 0.39780E-02 ppm1 0.831 ppm2 1.545 CV 1 ASSI { 9957} ( segid " " and resid 112 and name HG1%) ( segid " " and resid 124 and name HG1%) 3.700 1.700 1.700 peak 9957 weight 0.10000E+01 volume 0.17228E-02 ppm1 0.831 ppm2 -0.229 CV 1 ASSI { 9986} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 124 and name HG1%) 3.000 1.100 1.100 peak 9986 weight 0.10000E+01 volume 0.22805E-02 ppm1 0.830 ppm2 7.309 CV 1 ASSI { 9988} ( segid " " and resid 122 and name HG2%) ( segid " " and resid 124 and name HG1%) 3.400 1.500 1.500 peak 9988 weight 0.10000E+01 volume 0.12991E-02 ppm1 0.830 ppm2 0.148 CV 1 ASSI { 9996} (( segid " " and resid 108 and name HA )) (( segid " " and resid 126 and name HA1 )) 4.000 2.000 2.000 peak 9996 weight 0.10000E+01 volume 0.21967E-02 ppm1 4.687 ppm2 4.308 CV 1 ASSI {10000} (( segid " " and resid 131 and name HA1 )) (( segid " " and resid 131 and name HA2 )) 1.900 0.400 0.400 peak 10000 weight 0.10000E+01 volume 0.14347E-01 ppm1 4.306 ppm2 3.901 CV 1 ASSI {10006} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA1 )) 2.600 0.800 0.800 peak 10006 weight 0.10000E+01 volume 0.44439E-02 ppm1 3.906 ppm2 8.402 CV 1 ASSI {10007} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA1 )) 3.200 1.300 1.300 peak 10007 weight 0.10000E+01 volume 0.13668E-02 ppm1 3.906 ppm2 7.295 CV 1 ASSI {10053} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 131 and name HA2 )) 4.800 2.900 1.200 peak 10053 weight 0.10000E+01 volume 0.70432E-03 ppm1 4.306 ppm2 2.145 CV 1 ASSI {10058} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 61 and name HA1 )) 4.300 2.300 1.700 peak 10058 weight 0.10000E+01 volume 0.61556E-03 ppm1 3.907 ppm2 2.301 CV 1 OR {10058} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 61 and name HA1 )) ASSI {10085} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB )) 2.700 0.900 0.900 peak 10085 weight 0.10000E+01 volume 0.37370E-02 ppm1 3.810 ppm2 4.664 CV 1 ASSI {10117} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 3.200 1.300 1.300 peak 10117 weight 0.10000E+01 volume 0.52997E-02 ppm1 0.493 ppm2 7.277 CV 1 ASSI {10118} ( segid " " and resid 123 and name HD% ) ( segid " " and resid 58 and name HG2%) 3.400 1.500 1.500 peak 10118 weight 0.10000E+01 volume 0.18678E-02 ppm1 0.493 ppm2 6.666 CV 1 ASSI {10119} ( segid " " and resid 123 and name HE% ) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 10119 weight 0.10000E+01 volume 0.41206E-02 ppm1 0.493 ppm2 6.520 CV 1 ASSI {10122} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.200 0.600 0.600 peak 10122 weight 0.10000E+01 volume 0.17906E-01 ppm1 0.493 ppm2 4.221 CV 1 ASSI {10160} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 138 and name HB )) 4.300 2.300 1.700 peak 10160 weight 0.10000E+01 volume 0.58326E-03 ppm1 3.795 ppm2 3.627 CV 1 ASSI {10173} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 141 and name HG1%) 5.000 3.100 1.000 peak 10173 weight 0.10000E+01 volume 0.84687E-03 ppm1 0.944 ppm2 1.936 CV 1 ASSI {10178} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 10178 weight 0.10000E+01 volume 0.35652E-02 ppm1 0.570 ppm2 8.247 CV 1 ASSI {10180} (( segid " " and resid 56 and name HE21)) ( segid " " and resid 68 and name HG2%) 4.400 2.500 1.600 peak 10180 weight 0.10000E+01 volume 0.11765E-02 ppm1 0.567 ppm2 7.267 CV 1 ASSI {10181} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 68 and name HG2%) 3.900 1.900 1.900 peak 10181 weight 0.10000E+01 volume 0.22215E-02 ppm1 0.570 ppm2 6.936 CV 1 ASSI {10184} (( segid " " and resid 67 and name HA )) ( segid " " and resid 68 and name HG2%) 4.200 2.200 1.800 peak 10184 weight 0.10000E+01 volume 0.10997E-02 ppm1 0.568 ppm2 4.385 CV 1 ASSI {10185} (( segid " " and resid 62 and name HG1 )) ( segid " " and resid 68 and name HG2%) 3.000 1.100 1.100 peak 10185 weight 0.10000E+01 volume 0.27188E-02 ppm1 0.571 ppm2 2.378 CV 1 OR {10185} (( segid " " and resid 62 and name HG2 )) ( segid " " and resid 68 and name HG2%) ASSI {10186} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 68 and name HG2%) 2.300 0.700 0.700 peak 10186 weight 0.10000E+01 volume 0.55057E-02 ppm1 0.570 ppm2 1.990 CV 1 ASSI {10235} (( segid " " and resid 132 and name HA )) ( segid " " and resid 46 and name HB% ) 3.200 1.300 1.300 peak 10235 weight 0.10000E+01 volume 0.14142E-02 ppm1 1.431 ppm2 5.643 CV 1 ASSI {10237} (( segid " " and resid 45 and name HA )) ( segid " " and resid 46 and name HB% ) 3.300 1.400 1.400 peak 10237 weight 0.10000E+01 volume 0.22366E-02 ppm1 1.430 ppm2 4.670 CV 1 ASSI {10238} (( segid " " and resid 131 and name HA1 )) ( segid " " and resid 46 and name HB% ) 3.300 1.400 1.400 peak 10238 weight 0.10000E+01 volume 0.15335E-02 ppm1 1.432 ppm2 3.876 CV 1 ASSI {10240} (( segid " " and resid 127 and name HG1 )) ( segid " " and resid 46 and name HB% ) 4.600 2.600 1.400 peak 10240 weight 0.10000E+01 volume 0.65843E-03 ppm1 1.428 ppm2 2.187 CV 1 ASSI {10241} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 46 and name HB% ) 3.500 1.600 1.600 peak 10241 weight 0.10000E+01 volume 0.22207E-02 ppm1 1.429 ppm2 1.943 CV 1 ASSI {10267} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA2 )) 2.300 0.700 0.700 peak 10267 weight 0.10000E+01 volume 0.37968E-02 ppm1 4.135 ppm2 8.551 CV 1 ASSI {10270} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 61 and name HA2 )) 1.400 0.200 0.800 peak 10270 weight 0.10000E+01 volume 0.14454E-01 ppm1 4.136 ppm2 3.901 CV 1 ASSI {10274} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 61 and name HA2 )) 3.500 1.500 1.500 peak 10274 weight 0.10000E+01 volume 0.70478E-03 ppm1 4.133 ppm2 1.437 CV 1 ASSI {10275} (( segid " " and resid 68 and name HA )) (( segid " " and resid 61 and name HA2 )) 4.100 2.100 1.900 peak 10275 weight 0.10000E+01 volume 0.15696E-02 ppm1 4.127 ppm2 4.722 CV 1 ASSI {10277} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.300 0.700 0.700 peak 10277 weight 0.10000E+01 volume 0.40994E-02 ppm1 3.901 ppm2 8.558 CV 1 ASSI {10278} (( segid " " and resid 68 and name HA )) (( segid " " and resid 61 and name HA1 )) 3.800 1.800 1.800 peak 10278 weight 0.10000E+01 volume 0.16860E-02 ppm1 3.904 ppm2 4.726 CV 1 ASSI {10283} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.800 1.000 1.000 peak 10283 weight 0.10000E+01 volume 0.13119E-02 ppm1 3.407 ppm2 9.018 CV 1 ASSI {10284} (( segid " " and resid 111 and name HN )) (( segid " " and resid 126 and name HA2 )) 4.800 2.900 1.200 peak 10284 weight 0.10000E+01 volume 0.56038E-03 ppm1 3.402 ppm2 8.799 CV 1 ASSI {10286} (( segid " " and resid 110 and name HA )) (( segid " " and resid 126 and name HA2 )) 2.600 0.800 0.800 peak 10286 weight 0.10000E+01 volume 0.18260E-02 ppm1 3.408 ppm2 5.229 CV 1 ASSI {10287} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 126 and name HA2 )) 1.800 0.400 0.400 peak 10287 weight 0.10000E+01 volume 0.72269E-02 ppm1 3.407 ppm2 4.710 CV 1 ASSI {10307} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.200 0.600 0.600 peak 10307 weight 0.10000E+01 volume 0.70204E-02 ppm1 3.615 ppm2 8.828 CV 1 ASSI {10308} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HA )) 4.500 2.500 1.500 peak 10308 weight 0.10000E+01 volume 0.16596E-02 ppm1 3.615 ppm2 4.352 CV 1 ASSI {10311} (( segid " " and resid 118 and name HB )) (( segid " " and resid 118 and name HA )) 3.000 1.200 1.200 peak 10311 weight 0.10000E+01 volume 0.22293E-02 ppm1 3.614 ppm2 2.621 CV 1 ASSI {10323} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG1%) 1.900 0.500 0.500 peak 10323 weight 0.10000E+01 volume 0.77787E-02 ppm1 0.820 ppm2 8.674 CV 1 ASSI {10324} (( segid " " and resid 20 and name HN )) ( segid " " and resid 39 and name HG1%) 4.400 2.500 1.600 peak 10324 weight 0.10000E+01 volume 0.10235E-02 ppm1 0.818 ppm2 8.385 CV 1 ASSI {10328} (( segid " " and resid 136 and name HA )) ( segid " " and resid 39 and name HG1%) 3.600 1.600 1.600 peak 10328 weight 0.10000E+01 volume 0.13959E-02 ppm1 0.820 ppm2 5.679 CV 1 ASSI {10331} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 39 and name HG1%) 4.300 2.300 1.700 peak 10331 weight 0.10000E+01 volume 0.87997E-03 ppm1 0.819 ppm2 3.914 CV 1 ASSI {10333} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 39 and name HG1%) 4.400 2.400 1.600 peak 10333 weight 0.10000E+01 volume 0.65615E-03 ppm1 0.820 ppm2 3.445 CV 1 ASSI {10394} (( segid " " and resid 69 and name HN )) ( segid " " and resid 112 and name HG1%) 4.100 2.100 1.900 peak 10394 weight 0.10000E+01 volume 0.13446E-02 ppm1 -0.226 ppm2 9.234 CV 1 ASSI {10398} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HG1%) 3.500 1.500 1.500 peak 10398 weight 0.10000E+01 volume 0.20841E-02 ppm1 -0.226 ppm2 7.932 CV 1 ASSI {10400} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 112 and name HG1%) 2.600 0.800 0.800 peak 10400 weight 0.10000E+01 volume 0.30638E-02 ppm1 -0.226 ppm2 6.532 CV 1 ASSI {10401} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 112 and name HG1%) 3.900 1.900 1.900 peak 10401 weight 0.10000E+01 volume 0.15761E-02 ppm1 -0.226 ppm2 6.374 CV 1 ASSI {10404} (( segid " " and resid 74 and name HA )) ( segid " " and resid 112 and name HG1%) 5.300 3.500 0.700 peak 10404 weight 0.10000E+01 volume 0.58904E-03 ppm1 -0.227 ppm2 4.237 CV 1 ASSI {10405} (( segid " " and resid 71 and name HA )) ( segid " " and resid 112 and name HG1%) 4.700 2.800 1.300 peak 10405 weight 0.10000E+01 volume 0.93484E-03 ppm1 -0.226 ppm2 4.072 CV 1 ASSI {10406} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 112 and name HG1%) 2.500 0.800 0.800 peak 10406 weight 0.10000E+01 volume 0.23923E-02 ppm1 -0.226 ppm2 3.053 CV 1 ASSI {10408} (( segid " " and resid 112 and name HB )) ( segid " " and resid 112 and name HG1%) 2.000 0.500 0.500 peak 10408 weight 0.10000E+01 volume 0.10352E-01 ppm1 -0.226 ppm2 1.874 CV 1 ASSI {10509} (( segid " " and resid 130 and name HN )) (( segid " " and resid 128 and name HB )) 3.400 1.500 1.500 peak 10509 weight 0.10000E+01 volume 0.82133E-03 ppm1 4.830 ppm2 8.323 CV 1 ASSI {10512} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 128 and name HB )) 2.700 0.900 0.900 peak 10512 weight 0.10000E+01 volume 0.30257E-02 ppm1 4.829 ppm2 4.048 CV 1 OR {10512} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 128 and name HB )) ASSI {10515} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 128 and name HB )) 4.600 2.700 1.400 peak 10515 weight 0.10000E+01 volume 0.78821E-03 ppm1 4.828 ppm2 0.567 CV 1 ASSI {10598} (( segid " " and resid 123 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.600 0.900 0.900 peak 10598 weight 0.10000E+01 volume 0.31253E-02 ppm1 3.469 ppm2 4.719 CV 1 ASSI {10619} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HD2 )) 1.600 0.300 0.600 peak 10619 weight 0.10000E+01 volume 0.17137E-01 ppm1 3.125 ppm2 2.835 CV 1 ASSI {10620} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HD2 )) 2.400 0.700 0.700 peak 10620 weight 0.10000E+01 volume 0.41122E-02 ppm1 3.124 ppm2 1.631 CV 1 OR {10620} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD2 )) ASSI {10621} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HD2 )) 2.600 0.800 0.800 peak 10621 weight 0.10000E+01 volume 0.46553E-02 ppm1 3.126 ppm2 1.331 CV 1 OR {10621} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HD2 )) ASSI {10622} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 114 and name HD2 )) 3.700 1.700 1.700 peak 10622 weight 0.10000E+01 volume 0.16687E-02 ppm1 3.126 ppm2 0.972 CV 1 ASSI {10623} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 114 and name HD2 )) 3.900 1.900 1.900 peak 10623 weight 0.10000E+01 volume 0.25614E-02 ppm1 3.126 ppm2 0.772 CV 1 ASSI {10625} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HD2 )) 3.700 1.700 1.700 peak 10625 weight 0.10000E+01 volume 0.57990E-03 ppm1 3.125 ppm2 0.448 CV 1 ASSI {10631} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HD1 )) 2.900 1.100 1.100 peak 10631 weight 0.10000E+01 volume 0.60355E-02 ppm1 2.835 ppm2 1.631 CV 1 OR {10631} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD1 )) ASSI {10632} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HD1 )) 2.300 0.700 0.700 peak 10632 weight 0.10000E+01 volume 0.48252E-02 ppm1 2.836 ppm2 1.327 CV 1 OR {10632} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HD1 )) ASSI {10633} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 114 and name HD1 )) 2.600 0.900 0.900 peak 10633 weight 0.10000E+01 volume 0.21408E-02 ppm1 2.835 ppm2 0.973 CV 1 ASSI {10634} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 114 and name HD1 )) 3.300 1.300 1.300 peak 10634 weight 0.10000E+01 volume 0.27396E-02 ppm1 2.835 ppm2 0.770 CV 1 ASSI {10638} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.200 1.200 1.200 peak 10638 weight 0.10000E+01 volume 0.18941E-02 ppm1 1.638 ppm2 9.333 CV 1 OR {10638} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI {10639} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB1 )) 4.300 2.300 1.700 peak 10639 weight 0.10000E+01 volume 0.79410E-03 ppm1 1.639 ppm2 8.632 CV 1 OR {10639} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI {10640} (( segid " " and resid 121 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.600 1.600 1.600 peak 10640 weight 0.10000E+01 volume 0.72597E-03 ppm1 1.637 ppm2 8.507 CV 1 ASSI {10641} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 115 and name HB2 )) 4.100 2.100 1.900 peak 10641 weight 0.10000E+01 volume 0.61159E-03 ppm1 1.634 ppm2 6.520 CV 1 ASSI {10642} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB1 )) 2.800 1.000 1.000 peak 10642 weight 0.10000E+01 volume 0.18643E-02 ppm1 1.637 ppm2 5.271 CV 1 OR {10642} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB2 )) ASSI {10644} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 115 and name HB1 )) 3.600 1.600 1.600 peak 10644 weight 0.10000E+01 volume 0.90748E-03 ppm1 1.635 ppm2 2.757 CV 1 OR {10644} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 115 and name HB2 )) ASSI {10648} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HB1 )) 2.700 0.900 0.900 peak 10648 weight 0.10000E+01 volume 0.42749E-02 ppm1 1.640 ppm2 0.714 CV 1 OR {10648} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HB2 )) ASSI {10704} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 137 and name HB1 )) 2.900 1.100 1.100 peak 10704 weight 0.10000E+01 volume 0.13244E-02 ppm1 3.585 ppm2 6.668 CV 1 ASSI {10706} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 137 and name HB1 )) 4.100 2.100 1.900 peak 10706 weight 0.10000E+01 volume 0.84603E-03 ppm1 3.587 ppm2 5.958 CV 1 ASSI {10708} (( segid " " and resid 123 and name HA )) (( segid " " and resid 137 and name HB1 )) 2.800 1.000 1.000 peak 10708 weight 0.10000E+01 volume 0.37037E-02 ppm1 3.587 ppm2 4.718 CV 1 ASSI {10709} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HB1 )) 1.800 0.400 0.400 peak 10709 weight 0.10000E+01 volume 0.78371E-02 ppm1 3.588 ppm2 3.478 CV 1 ASSI {10712} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 137 and name HB2 )) 3.900 1.900 1.900 peak 10712 weight 0.10000E+01 volume 0.96325E-03 ppm1 3.467 ppm2 6.015 CV 1 ASSI {10713} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 137 and name HB2 )) 3.400 1.400 1.400 peak 10713 weight 0.10000E+01 volume 0.97267E-03 ppm1 3.468 ppm2 5.975 CV 1 ASSI {10715} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.400 1.400 1.400 peak 10715 weight 0.10000E+01 volume 0.61832E-03 ppm1 3.466 ppm2 10.012 CV 1 ASSI {10716} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 137 and name HB2 )) 3.100 1.200 1.200 peak 10716 weight 0.10000E+01 volume 0.14328E-02 ppm1 3.465 ppm2 6.669 CV 1 ASSI {10718} (( segid " " and resid 113 and name HN )) ( segid " " and resid 124 and name HG2%) 4.600 2.600 1.400 peak 10718 weight 0.10000E+01 volume 0.69915E-03 ppm1 0.841 ppm2 9.416 CV 1 ASSI {10731} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HD1 )) 4.700 2.700 1.300 peak 10731 weight 0.10000E+01 volume 0.62126E-03 ppm1 2.834 ppm2 0.445 CV 1 ASSI {10736} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.300 1.400 1.400 peak 10736 weight 0.10000E+01 volume 0.20174E-02 ppm1 1.713 ppm2 8.699 CV 1 ASSI {10737} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB1 )) 3.100 1.200 1.200 peak 10737 weight 0.10000E+01 volume 0.21469E-02 ppm1 1.713 ppm2 4.758 CV 1 ASSI {10739} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 28 and name HB1 )) 4.800 2.900 1.200 peak 10739 weight 0.10000E+01 volume 0.66726E-03 ppm1 1.713 ppm2 2.067 CV 1 OR {10739} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 28 and name HB1 )) ASSI {10742} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 2.200 0.600 0.600 peak 10742 weight 0.10000E+01 volume 0.25387E-02 ppm1 1.709 ppm2 1.542 CV 1 ASSI {10744} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HB1 )) 2.300 0.600 0.600 peak 10744 weight 0.10000E+01 volume 0.90799E-02 ppm1 1.712 ppm2 1.013 CV 1 ASSI {10746} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HB1 )) 2.600 0.800 0.800 peak 10746 weight 0.10000E+01 volume 0.26533E-02 ppm1 1.711 ppm2 0.659 CV 1 ASSI {10792} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HG2%) 3.100 1.200 1.200 peak 10792 weight 0.10000E+01 volume 0.46135E-02 ppm1 0.839 ppm2 9.601 CV 1 ASSI {10794} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 3.700 1.700 1.700 peak 10794 weight 0.10000E+01 volume 0.15734E-02 ppm1 0.840 ppm2 8.864 CV 1 ASSI {10796} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 124 and name HG2%) 4.300 2.300 1.700 peak 10796 weight 0.10000E+01 volume 0.70537E-03 ppm1 0.842 ppm2 7.663 CV 1 ASSI {10800} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 124 and name HG2%) 4.500 2.500 1.500 peak 10800 weight 0.10000E+01 volume 0.66260E-03 ppm1 0.841 ppm2 5.976 CV 1 ASSI {10801} (( segid " " and resid 136 and name HA )) ( segid " " and resid 124 and name HG2%) 3.200 1.300 1.300 peak 10801 weight 0.10000E+01 volume 0.66984E-03 ppm1 0.839 ppm2 5.711 CV 1 ASSI {10803} (( segid " " and resid 124 and name HB )) ( segid " " and resid 124 and name HG2%) 2.100 0.500 0.500 peak 10803 weight 0.10000E+01 volume 0.95401E-02 ppm1 0.839 ppm2 2.433 CV 1 ASSI {10806} ( segid " " and resid 122 and name HG2%) ( segid " " and resid 124 and name HG2%) 3.200 1.300 1.300 peak 10806 weight 0.10000E+01 volume 0.48992E-02 ppm1 0.838 ppm2 0.139 CV 1 ASSI {10811} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG1%) 3.300 1.400 1.400 peak 10811 weight 0.10000E+01 volume 0.65221E-02 ppm1 0.775 ppm2 9.233 CV 1 ASSI {10812} (( segid " " and resid 114 and name HN )) ( segid " " and resid 69 and name HG1%) 5.100 3.200 0.900 peak 10812 weight 0.10000E+01 volume 0.65707E-03 ppm1 0.775 ppm2 9.025 CV 1 ASSI {10813} (( segid " " and resid 112 and name HN )) ( segid " " and resid 69 and name HG1%) 4.200 2.200 1.800 peak 10813 weight 0.10000E+01 volume 0.16833E-02 ppm1 0.775 ppm2 7.926 CV 1 ASSI {10814} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 69 and name HG1%) 3.200 1.200 1.200 peak 10814 weight 0.10000E+01 volume 0.33085E-02 ppm1 0.776 ppm2 6.532 CV 1 ASSI {10816} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG1%) 2.500 0.800 0.800 peak 10816 weight 0.10000E+01 volume 0.54346E-02 ppm1 0.776 ppm2 4.595 CV 1 ASSI {10832} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 121 and name HB2 )) 3.700 1.700 1.700 peak 10832 weight 0.10000E+01 volume 0.67798E-03 ppm1 2.773 ppm2 0.729 CV 1 ASSI {10833} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 3.100 1.200 1.200 peak 10833 weight 0.10000E+01 volume 0.13084E-02 ppm1 2.760 ppm2 8.504 CV 1 ASSI {10834} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 4.500 2.500 1.500 peak 10834 weight 0.10000E+01 volume 0.84854E-03 ppm1 2.758 ppm2 8.217 CV 1 ASSI {10835} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 121 and name HB2 )) 3.500 1.500 1.500 peak 10835 weight 0.10000E+01 volume 0.18031E-02 ppm1 2.759 ppm2 6.522 CV 1 ASSI {10837} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HB2 )) 2.100 0.500 0.500 peak 10837 weight 0.10000E+01 volume 0.68817E-02 ppm1 2.759 ppm2 2.542 CV 1 ASSI {10848} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 4.300 2.300 1.700 peak 10848 weight 0.10000E+01 volume 0.55600E-03 ppm1 2.542 ppm2 8.220 CV 1 ASSI {10849} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 121 and name HB1 )) 3.800 1.800 1.800 peak 10849 weight 0.10000E+01 volume 0.90328E-03 ppm1 2.542 ppm2 0.981 CV 1 OR {10849} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 121 and name HB1 )) ASSI {10854} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HB1 )) 2.700 0.900 0.900 peak 10854 weight 0.10000E+01 volume 0.47287E-02 ppm1 1.506 ppm2 1.438 CV 1 ASSI {10856} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 10856 weight 0.10000E+01 volume 0.68796E-03 ppm1 1.311 ppm2 1.498 CV 1 OR {10856} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HB2 )) ASSI {10857} (( segid " " and resid 120 and name HG )) (( segid " " and resid 120 and name HB2 )) 3.100 1.200 1.200 peak 10857 weight 0.10000E+01 volume 0.74260E-03 ppm1 1.296 ppm2 1.439 CV 1 ASSI {10887} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 69 and name HG1%) 4.200 2.200 1.800 peak 10887 weight 0.10000E+01 volume 0.98073E-03 ppm1 0.777 ppm2 6.377 CV 1 ASSI {10890} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 69 and name HG1%) 3.000 1.200 1.200 peak 10890 weight 0.10000E+01 volume 0.15984E-02 ppm1 0.775 ppm2 4.013 CV 1 OR {10890} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 69 and name HG1%) ASSI {10893} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG1%) 2.100 0.600 0.600 peak 10893 weight 0.10000E+01 volume 0.10375E-01 ppm1 0.775 ppm2 1.963 CV 1 ASSI {10954} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 116 and name HA1 )) 5.500 3.700 0.500 peak 10954 weight 0.10000E+01 volume 0.71675E-03 ppm1 4.896 ppm2 1.937 CV 1 ASSI {10968} (( segid " " and resid 64 and name HA )) (( segid " " and resid 116 and name HA2 )) 5.200 3.400 0.800 peak 10968 weight 0.10000E+01 volume 0.56375E-03 ppm1 3.772 ppm2 4.619 CV 1 ASSI {11012} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HA1 )) 3.700 1.700 1.700 peak 11012 weight 0.10000E+01 volume 0.94984E-03 ppm1 4.902 ppm2 0.973 CV 1 OR {11012} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 116 and name HA1 )) ASSI {11015} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HA1 )) 4.500 2.600 1.500 peak 11015 weight 0.10000E+01 volume 0.64839E-03 ppm1 4.895 ppm2 5.272 CV 1 ASSI {11017} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 116 and name HA1 )) 1.900 0.400 0.400 peak 11017 weight 0.10000E+01 volume 0.85532E-02 ppm1 4.894 ppm2 3.767 CV 1 ASSI {11051} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA2 )) 2.600 0.900 0.900 peak 11051 weight 0.10000E+01 volume 0.25538E-02 ppm1 3.770 ppm2 8.626 CV 1 ASSI {11052} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA2 )) 2.600 0.800 0.800 peak 11052 weight 0.10000E+01 volume 0.36873E-02 ppm1 3.769 ppm2 8.045 CV 1 ASSI {11056} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 116 and name HA2 )) 4.200 2.300 1.800 peak 11056 weight 0.10000E+01 volume 0.13863E-02 ppm1 3.770 ppm2 3.464 CV 1 ASSI {11058} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 116 and name HA2 )) 4.200 2.300 1.800 peak 11058 weight 0.10000E+01 volume 0.10122E-02 ppm1 3.768 ppm2 1.441 CV 1 ASSI {11070} (( segid " " and resid 107 and name HG )) (( segid " " and resid 107 and name HB1 )) 3.000 1.100 1.100 peak 11070 weight 0.10000E+01 volume 0.12790E-02 ppm1 1.846 ppm2 1.397 CV 1 OR {11070} (( segid " " and resid 107 and name HG )) (( segid " " and resid 107 and name HB2 )) ASSI {11073} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HB1 )) 2.200 0.600 0.600 peak 11073 weight 0.10000E+01 volume 0.26157E-02 ppm1 1.532 ppm2 1.312 CV 1 ASSI {11116} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 2.800 0.900 0.900 peak 11116 weight 0.10000E+01 volume 0.15166E-02 ppm1 1.532 ppm2 9.165 CV 1 ASSI {11117} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) 4.500 2.500 1.500 peak 11117 weight 0.10000E+01 volume 0.94613E-03 ppm1 1.531 ppm2 8.505 CV 1 ASSI {11119} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HB1 )) 4.100 2.100 1.900 peak 11119 weight 0.10000E+01 volume 0.69710E-03 ppm1 1.531 ppm2 4.714 CV 1 ASSI {11120} (( segid " " and resid 140 and name HB )) (( segid " " and resid 120 and name HB1 )) 4.500 2.500 1.500 peak 11120 weight 0.10000E+01 volume 0.13801E-02 ppm1 1.529 ppm2 1.795 CV 1 ASSI {11122} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HB1 )) 2.600 0.900 0.900 peak 11122 weight 0.10000E+01 volume 0.34698E-02 ppm1 1.529 ppm2 0.589 CV 1 ASSI {11123} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 120 and name HB1 )) 3.000 1.100 1.100 peak 11123 weight 0.10000E+01 volume 0.18104E-02 ppm1 1.532 ppm2 0.451 CV 1 ASSI {11219} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HD2 )) 4.300 2.300 1.700 peak 11219 weight 0.10000E+01 volume 0.19051E-02 ppm1 3.092 ppm2 4.094 CV 1 OR {11219} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HD1 )) ASSI {11223} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HD2 )) 2.400 0.700 0.700 peak 11223 weight 0.10000E+01 volume 0.84214E-02 ppm1 3.092 ppm2 1.793 CV 1 OR {11223} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HD2 )) OR {11223} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HD1 )) OR {11223} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HD1 )) ASSI {11257} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HA )) 4.600 2.600 1.400 peak 11257 weight 0.10000E+01 volume 0.70022E-03 ppm1 3.676 ppm2 8.733 CV 1 ASSI {11259} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 3.300 1.300 1.300 peak 11259 weight 0.10000E+01 volume 0.12388E-02 ppm1 3.674 ppm2 7.723 CV 1 ASSI {11260} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.500 0.800 0.800 peak 11260 weight 0.10000E+01 volume 0.37257E-02 ppm1 3.674 ppm2 7.444 CV 1 ASSI {11262} (( segid " " and resid 95 and name HA )) (( segid " " and resid 92 and name HA )) 5.000 3.100 1.000 peak 11262 weight 0.10000E+01 volume 0.79899E-03 ppm1 3.671 ppm2 4.057 CV 1 ASSI {11264} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 92 and name HA )) 4.800 2.900 1.200 peak 11264 weight 0.10000E+01 volume 0.80214E-03 ppm1 3.674 ppm2 2.924 CV 1 OR {11264} (( segid " " and resid 95 and name HE1 )) (( segid " " and resid 92 and name HA )) ASSI {11265} (( segid " " and resid 92 and name HB )) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 11265 weight 0.10000E+01 volume 0.32386E-02 ppm1 3.673 ppm2 2.363 CV 1 ASSI {11266} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 92 and name HA )) 3.300 1.400 1.400 peak 11266 weight 0.10000E+01 volume 0.33211E-02 ppm1 3.674 ppm2 2.108 CV 1 OR {11266} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 92 and name HA )) ASSI {11267} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 92 and name HA )) 2.200 0.600 0.600 peak 11267 weight 0.10000E+01 volume 0.29981E-02 ppm1 3.673 ppm2 1.835 CV 1 ASSI {11283} (( segid " " and resid 104 and name HE2 )) ( segid " " and resid 23 and name HB% ) 4.100 2.100 1.900 peak 11283 weight 0.10000E+01 volume 0.58193E-03 ppm1 1.344 ppm2 2.897 CV 1 ASSI {11284} (( segid " " and resid 104 and name HD2 )) ( segid " " and resid 23 and name HB% ) 5.000 3.100 1.000 peak 11284 weight 0.10000E+01 volume 0.65469E-03 ppm1 1.344 ppm2 1.600 CV 1 ASSI {11306} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 77 and name HD1 )) 4.400 2.400 1.600 peak 11306 weight 0.10000E+01 volume 0.59966E-03 ppm1 3.090 ppm2 6.755 CV 1 OR {11306} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 77 and name HD2 )) ASSI {11307} ( segid " " and resid 74 and name HE% ) (( segid " " and resid 77 and name HD1 )) 4.100 2.100 1.900 peak 11307 weight 0.10000E+01 volume 0.61461E-03 ppm1 3.095 ppm2 6.368 CV 1 OR {11307} ( segid " " and resid 74 and name HE% ) (( segid " " and resid 77 and name HD2 )) ASSI {11310} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HD1 )) 2.100 0.500 0.500 peak 11310 weight 0.10000E+01 volume 0.17067E-01 ppm1 3.092 ppm2 1.575 CV 1 OR {11310} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HD2 )) OR {11310} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HD1 )) OR {11310} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HD2 )) ASSI {11312} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 77 and name HD2 )) 3.700 1.700 1.700 peak 11312 weight 0.10000E+01 volume 0.22472E-02 ppm1 3.088 ppm2 2.820 CV 1 OR {11312} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 77 and name HD1 )) ASSI {11356} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HB% ) 3.100 1.200 1.200 peak 11356 weight 0.10000E+01 volume 0.29717E-02 ppm1 1.347 ppm2 7.541 CV 1 ASSI {11358} (( segid " " and resid 21 and name HN )) ( segid " " and resid 23 and name HB% ) 4.100 2.100 1.900 peak 11358 weight 0.10000E+01 volume 0.12042E-02 ppm1 1.342 ppm2 8.533 CV 1 ASSI {11360} (( segid " " and resid 23 and name HN )) ( segid " " and resid 23 and name HB% ) 2.200 0.600 0.600 peak 11360 weight 0.10000E+01 volume 0.12208E-01 ppm1 1.343 ppm2 7.812 CV 1 ASSI {11364} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 23 and name HB% ) 4.100 2.100 1.900 peak 11364 weight 0.10000E+01 volume 0.12454E-02 ppm1 1.342 ppm2 3.489 CV 1 ASSI {11423} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 132 and name HB1 )) 3.600 1.600 1.600 peak 11423 weight 0.10000E+01 volume 0.13764E-02 ppm1 3.042 ppm2 7.985 CV 1 ASSI {11426} (( segid " " and resid 43 and name HA )) (( segid " " and resid 132 and name HB1 )) 4.200 2.200 1.800 peak 11426 weight 0.10000E+01 volume 0.64601E-03 ppm1 3.048 ppm2 4.064 CV 1 ASSI {11427} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB1 )) 2.000 0.500 0.500 peak 11427 weight 0.10000E+01 volume 0.81306E-02 ppm1 3.042 ppm2 2.084 CV 1 ASSI {11428} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 132 and name HB1 )) 3.400 1.400 1.400 peak 11428 weight 0.10000E+01 volume 0.17851E-02 ppm1 3.042 ppm2 0.805 CV 1 ASSI {11432} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 133 and name HB1 )) 4.800 2.900 1.200 peak 11432 weight 0.10000E+01 volume 0.87444E-03 ppm1 2.191 ppm2 3.027 CV 1 ASSI {11435} (( segid " " and resid 132 and name HD21)) (( segid " " and resid 132 and name HB2 )) 4.400 2.400 1.600 peak 11435 weight 0.10000E+01 volume 0.65446E-03 ppm1 2.091 ppm2 6.992 CV 1 ASSI {11436} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HB2 )) 4.100 2.100 1.900 peak 11436 weight 0.10000E+01 volume 0.12852E-02 ppm1 2.088 ppm2 5.115 CV 1 ASSI {11456} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 84 and name HZ2 )) 4.000 2.000 2.000 peak 11456 weight 0.10000E+01 volume 0.10697E-02 ppm1 7.545 ppm2 1.707 CV 1 ASSI {11460} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 42 and name HZ2 )) 3.400 1.400 1.400 peak 11460 weight 0.10000E+01 volume 0.96727E-03 ppm1 6.181 ppm2 6.667 CV 1 ASSI {11463} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 42 and name HZ2 )) 3.400 1.400 1.400 peak 11463 weight 0.10000E+01 volume 0.10422E-02 ppm1 6.181 ppm2 0.655 CV 1 ASSI {11465} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 42 and name HZ2 )) 4.800 2.900 1.200 peak 11465 weight 0.10000E+01 volume 0.86087E-03 ppm1 6.182 ppm2 0.282 CV 1 OR {11465} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 42 and name HZ2 )) ASSI {11506} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HB1 )) 4.100 2.100 1.900 peak 11506 weight 0.10000E+01 volume 0.14153E-02 ppm1 3.025 ppm2 5.099 CV 1 ASSI {11507} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 66 and name HB2 )) 2.500 0.800 0.800 peak 11507 weight 0.10000E+01 volume 0.36031E-02 ppm1 2.946 ppm2 6.998 CV 1 ASSI {11511} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 66 and name HB1 )) 2.700 0.900 0.900 peak 11511 weight 0.10000E+01 volume 0.38171E-02 ppm1 2.783 ppm2 6.996 CV 1 ASSI {11512} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 11512 weight 0.10000E+01 volume 0.38099E-02 ppm1 2.783 ppm2 5.609 CV 1 ASSI {11522} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.900 1.900 1.900 peak 11522 weight 0.10000E+01 volume 0.10835E-02 ppm1 2.213 ppm2 7.775 CV 1 ASSI {11523} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 133 and name HB1 )) 4.000 2.000 2.000 peak 11523 weight 0.10000E+01 volume 0.99696E-03 ppm1 2.213 ppm2 7.196 CV 1 ASSI {11526} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB1 )) 2.200 0.600 0.600 peak 11526 weight 0.10000E+01 volume 0.14044E-02 ppm1 2.215 ppm2 1.546 CV 1 ASSI {11527} (( segid " " and resid 133 and name HG )) (( segid " " and resid 133 and name HB1 )) 2.500 0.800 0.800 peak 11527 weight 0.10000E+01 volume 0.36980E-02 ppm1 2.214 ppm2 1.185 CV 1 ASSI {11529} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 133 and name HB1 )) 2.800 1.000 1.000 peak 11529 weight 0.10000E+01 volume 0.16041E-02 ppm1 2.213 ppm2 0.866 CV 1 OR {11529} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 133 and name HB1 )) OR {11529} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 133 and name HB1 )) ASSI {11532} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 132 and name HB2 )) 4.000 2.000 2.000 peak 11532 weight 0.10000E+01 volume 0.66265E-03 ppm1 2.087 ppm2 8.099 CV 1 ASSI {11533} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 132 and name HB2 )) 3.200 1.300 1.300 peak 11533 weight 0.10000E+01 volume 0.11174E-02 ppm1 2.087 ppm2 7.984 CV 1 ASSI {11541} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 4.300 2.400 1.700 peak 11541 weight 0.10000E+01 volume 0.10098E-02 ppm1 1.723 ppm2 8.702 CV 1 ASSI {11543} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 27 and name HB2 )) 3.300 1.300 1.300 peak 11543 weight 0.10000E+01 volume 0.12776E-02 ppm1 1.724 ppm2 7.322 CV 1 ASSI {11544} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 11544 weight 0.10000E+01 volume 0.96952E-03 ppm1 1.722 ppm2 7.152 CV 1 ASSI {11546} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HB2 )) 1.800 0.400 0.400 peak 11546 weight 0.10000E+01 volume 0.12285E-01 ppm1 1.722 ppm2 1.308 CV 1 OR {11546} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HB2 )) ASSI {11548} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 11548 weight 0.10000E+01 volume 0.22227E-02 ppm1 1.721 ppm2 4.525 CV 1 ASSI {11549} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 11549 weight 0.10000E+01 volume 0.79784E-03 ppm1 1.721 ppm2 4.281 CV 1 ASSI {11553} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 27 and name HB1 )) 3.900 1.900 1.900 peak 11553 weight 0.10000E+01 volume 0.99655E-03 ppm1 1.318 ppm2 7.155 CV 1 ASSI {11554} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 11554 weight 0.10000E+01 volume 0.24730E-02 ppm1 1.319 ppm2 4.524 CV 1 ASSI {11555} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HB1 )) 1.800 0.400 0.400 peak 11555 weight 0.10000E+01 volume 0.80835E-02 ppm1 1.318 ppm2 1.722 CV 1 ASSI {11556} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.800 1.800 1.800 peak 11556 weight 0.10000E+01 volume 0.12444E-02 ppm1 1.317 ppm2 8.703 CV 1 ASSI {11557} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 27 and name HB1 )) 4.400 2.400 1.600 peak 11557 weight 0.10000E+01 volume 0.78138E-03 ppm1 1.315 ppm2 7.320 CV 1 ASSI {11558} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HB1 )) 2.800 1.000 1.000 peak 11558 weight 0.10000E+01 volume 0.21374E-02 ppm1 1.308 ppm2 0.381 CV 1 ASSI {11574} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 42 and name HZ2 )) 3.300 1.400 1.400 peak 11574 weight 0.10000E+01 volume 0.21930E-02 ppm1 6.182 ppm2 6.474 CV 1 ASSI {11575} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 42 and name HZ2 )) 4.400 2.500 1.600 peak 11575 weight 0.10000E+01 volume 0.58653E-03 ppm1 6.181 ppm2 0.874 CV 1 OR {11575} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 42 and name HZ2 )) OR {11575} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 42 and name HZ2 )) ASSI {11591} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 11591 weight 0.10000E+01 volume 0.57248E-02 ppm1 0.863 ppm2 9.015 CV 1 ASSI {11593} (( segid " " and resid 134 and name HN )) ( segid " " and resid 125 and name HG2%) 3.400 1.500 1.500 peak 11593 weight 0.10000E+01 volume 0.26699E-02 ppm1 0.864 ppm2 8.609 CV 1 ASSI {11595} (( segid " " and resid 42 and name HD1 )) ( segid " " and resid 125 and name HG2%) 3.200 1.300 1.300 peak 11595 weight 0.10000E+01 volume 0.10719E-02 ppm1 0.863 ppm2 7.203 CV 1 ASSI {11597} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 125 and name HG2%) 3.900 1.900 1.900 peak 11597 weight 0.10000E+01 volume 0.41669E-02 ppm1 0.864 ppm2 6.524 CV 1 ASSI {11598} (( segid " " and resid 42 and name HZ2 )) ( segid " " and resid 125 and name HG2%) 4.000 2.000 2.000 peak 11598 weight 0.10000E+01 volume 0.11845E-02 ppm1 0.864 ppm2 6.162 CV 1 ASSI {11599} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 125 and name HG2%) 2.900 1.000 1.000 peak 11599 weight 0.10000E+01 volume 0.19955E-02 ppm1 0.863 ppm2 5.954 CV 1 ASSI {11601} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG2%) 2.100 0.600 0.600 peak 11601 weight 0.10000E+01 volume 0.76295E-02 ppm1 0.863 ppm2 4.830 CV 1 ASSI {11603} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 125 and name HG2%) 3.600 1.600 1.600 peak 11603 weight 0.10000E+01 volume 0.23146E-02 ppm1 0.863 ppm2 2.198 CV 1 ASSI {11604} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) 1.900 0.500 0.500 peak 11604 weight 0.10000E+01 volume 0.13124E-01 ppm1 0.865 ppm2 1.677 CV 1 ASSI {11610} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 11610 weight 0.10000E+01 volume 0.37697E-02 ppm1 0.864 ppm2 0.424 CV 1 OR {11610} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 125 and name HG2%) ASSI {11640} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.900 1.000 1.000 peak 11640 weight 0.10000E+01 volume 0.16566E-02 ppm1 2.944 ppm2 8.378 CV 1 ASSI {11645} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 66 and name HB2 )) 4.100 2.100 1.900 peak 11645 weight 0.10000E+01 volume 0.86174E-03 ppm1 2.938 ppm2 0.564 CV 1 OR {11645} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 66 and name HB2 )) ASSI {11646} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 11646 weight 0.10000E+01 volume 0.38544E-02 ppm1 2.932 ppm2 6.061 CV 1 OR {11646} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB1 )) ASSI {11653} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB1 )) 1.500 0.300 0.700 peak 11653 weight 0.10000E+01 volume 0.13417E-01 ppm1 2.781 ppm2 2.944 CV 1 ASSI {11655} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 66 and name HB1 )) 3.700 1.700 1.700 peak 11655 weight 0.10000E+01 volume 0.21846E-02 ppm1 2.783 ppm2 0.720 CV 1 ASSI {11666} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 11666 weight 0.10000E+01 volume 0.29407E-02 ppm1 1.313 ppm2 0.268 CV 1 ASSI {11694} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.500 0.800 0.800 peak 11694 weight 0.10000E+01 volume 0.27815E-02 ppm1 3.034 ppm2 7.400 CV 1 ASSI {11711} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 1.500 0.300 0.700 peak 11711 weight 0.10000E+01 volume 0.29315E-01 ppm1 2.925 ppm2 2.713 CV 1 ASSI {11745} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 11745 weight 0.10000E+01 volume 0.32801E-02 ppm1 3.507 ppm2 8.525 CV 1 ASSI {11748} (( segid " " and resid 106 and name HN )) (( segid " " and resid 102 and name HA )) 3.000 1.100 1.100 peak 11748 weight 0.10000E+01 volume 0.18882E-02 ppm1 3.507 ppm2 7.312 CV 1 ASSI {11750} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 11750 weight 0.10000E+01 volume 0.24290E-02 ppm1 3.506 ppm2 3.885 CV 1 OR {11750} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 102 and name HA )) ASSI {11752} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 102 and name HA )) 4.800 2.900 1.200 peak 11752 weight 0.10000E+01 volume 0.58658E-03 ppm1 3.509 ppm2 2.414 CV 1 OR {11752} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 102 and name HA )) ASSI {11753} (( segid " " and resid 102 and name HB )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 11753 weight 0.10000E+01 volume 0.33392E-02 ppm1 3.507 ppm2 2.117 CV 1 ASSI {11761} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 11761 weight 0.10000E+01 volume 0.63334E-03 ppm1 3.040 ppm2 8.215 CV 1 ASSI {11765} (( segid " " and resid 42 and name HZ3 )) (( segid " " and resid 54 and name HA )) 2.900 1.000 1.000 peak 11765 weight 0.10000E+01 volume 0.23525E-02 ppm1 3.035 ppm2 6.173 CV 1 ASSI {11771} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 54 and name HA )) 2.000 0.500 0.500 peak 11771 weight 0.10000E+01 volume 0.13285E-01 ppm1 3.034 ppm2 0.423 CV 1 OR {11771} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 54 and name HA )) ASSI {11796} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 2.700 0.900 0.900 peak 11796 weight 0.10000E+01 volume 0.13491E-02 ppm1 2.929 ppm2 4.005 CV 1 OR {11796} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 70 and name HB1 )) ASSI {11797} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 11797 weight 0.10000E+01 volume 0.20912E-02 ppm1 2.706 ppm2 9.095 CV 1 ASSI {11802} (( segid " " and resid 111 and name HA )) (( segid " " and resid 70 and name HB2 )) 3.700 1.700 1.700 peak 11802 weight 0.10000E+01 volume 0.82985E-03 ppm1 2.707 ppm2 4.706 CV 1 ASSI {11804} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HB2 )) 4.100 2.100 1.900 peak 11804 weight 0.10000E+01 volume 0.14998E-02 ppm1 2.707 ppm2 3.993 CV 1 OR {11804} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 70 and name HB2 )) ASSI {11808} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 70 and name HB2 )) 4.000 2.000 2.000 peak 11808 weight 0.10000E+01 volume 0.83510E-03 ppm1 2.707 ppm2 1.000 CV 1 ASSI {11848} (( segid " " and resid 130 and name HN )) ( segid " " and resid 130 and name HB% ) 2.100 0.600 0.600 peak 11848 weight 0.10000E+01 volume 0.13069E-01 ppm1 1.447 ppm2 8.326 CV 1 ASSI {11849} (( segid " " and resid 13 and name HD22)) ( segid " " and resid 130 and name HB% ) 3.200 1.300 1.300 peak 11849 weight 0.10000E+01 volume 0.25418E-02 ppm1 1.447 ppm2 8.118 CV 1 ASSI {11850} (( segid " " and resid 13 and name HD21)) ( segid " " and resid 130 and name HB% ) 2.500 0.800 0.800 peak 11850 weight 0.10000E+01 volume 0.42130E-02 ppm1 1.447 ppm2 7.803 CV 1 ASSI {11853} (( segid " " and resid 130 and name HA )) ( segid " " and resid 130 and name HB% ) 2.100 0.500 0.500 peak 11853 weight 0.10000E+01 volume 0.20878E-01 ppm1 1.447 ppm2 4.244 CV 1 ASSI {11888} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 1.900 0.500 0.500 peak 11888 weight 0.10000E+01 volume 0.66754E-02 ppm1 3.157 ppm2 2.945 CV 1 ASSI {11891} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 11891 weight 0.10000E+01 volume 0.29714E-02 ppm1 2.950 ppm2 7.221 CV 1 ASSI {11950} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 11950 weight 0.10000E+01 volume 0.27332E-02 ppm1 3.157 ppm2 7.221 CV 1 ASSI {11953} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 35 and name HB2 )) 4.400 2.400 1.600 peak 11953 weight 0.10000E+01 volume 0.10676E-02 ppm1 3.157 ppm2 4.015 CV 1 ASSI {11955} (( segid " " and resid 138 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.700 1.700 1.700 peak 11955 weight 0.10000E+01 volume 0.91669E-03 ppm1 3.153 ppm2 4.707 CV 1 ASSI {11959} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 136 and name HB )) 2.300 0.600 0.600 peak 11959 weight 0.10000E+01 volume 0.47008E-02 ppm1 1.895 ppm2 0.739 CV 1 ASSI {11973} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 11973 weight 0.10000E+01 volume 0.16550E-02 ppm1 4.154 ppm2 8.744 CV 1 ASSI {11974} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.700 0.900 0.900 peak 11974 weight 0.10000E+01 volume 0.35877E-02 ppm1 4.153 ppm2 7.721 CV 1 ASSI {11977} (( segid " " and resid 79 and name HB )) (( segid " " and resid 93 and name HA )) 3.800 1.800 1.800 peak 11977 weight 0.10000E+01 volume 0.13072E-02 ppm1 4.152 ppm2 4.470 CV 1 ASSI {11981} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 93 and name HA )) 3.000 1.100 1.100 peak 11981 weight 0.10000E+01 volume 0.23225E-02 ppm1 4.153 ppm2 3.325 CV 1 ASSI {11982} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 93 and name HA )) 3.200 1.300 1.300 peak 11982 weight 0.10000E+01 volume 0.15136E-02 ppm1 4.153 ppm2 2.816 CV 1 ASSI {11983} (( segid " " and resid 93 and name HB )) (( segid " " and resid 93 and name HA )) 2.700 0.900 0.900 peak 11983 weight 0.10000E+01 volume 0.31596E-02 ppm1 4.153 ppm2 2.379 CV 1 ASSI {12020} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 136 and name HB )) 2.600 0.800 0.800 peak 12020 weight 0.10000E+01 volume 0.31068E-02 ppm1 1.895 ppm2 0.348 CV 1 ASSI {12084} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HG2%) 3.600 1.600 1.600 peak 12084 weight 0.10000E+01 volume 0.24584E-02 ppm1 0.739 ppm2 10.011 CV 1 ASSI {12085} (( segid " " and resid 39 and name HN )) ( segid " " and resid 136 and name HG2%) 3.100 1.200 1.200 peak 12085 weight 0.10000E+01 volume 0.72239E-03 ppm1 0.739 ppm2 8.669 CV 1 ASSI {12087} (( segid " " and resid 37 and name HA )) ( segid " " and resid 136 and name HG2%) 4.500 2.500 1.500 peak 12087 weight 0.10000E+01 volume 0.68044E-03 ppm1 0.737 ppm2 5.891 CV 1 ASSI {12091} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 136 and name HG2%) 3.000 1.100 1.100 peak 12091 weight 0.10000E+01 volume 0.12526E-02 ppm1 0.739 ppm2 3.444 CV 1 ASSI {12096} (( segid " " and resid 21 and name HG1 )) ( segid " " and resid 136 and name HG2%) 2.900 1.100 1.100 peak 12096 weight 0.10000E+01 volume 0.34035E-02 ppm1 0.738 ppm2 1.447 CV 1 ASSI {12122} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 106 and name HB2 )) 3.100 1.200 1.200 peak 12122 weight 0.10000E+01 volume 0.16510E-02 ppm1 2.439 ppm2 7.756 CV 1 OR {12122} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 106 and name HB1 )) ASSI {12123} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.400 1.400 1.400 peak 12123 weight 0.10000E+01 volume 0.27454E-02 ppm1 2.441 ppm2 7.316 CV 1 OR {12123} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 106 and name HB2 )) OR {12123} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) OR {12123} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 106 and name HB1 )) ASSI {12132} (( segid " " and resid 107 and name HG )) (( segid " " and resid 106 and name HB2 )) 3.800 1.800 1.800 peak 12132 weight 0.10000E+01 volume 0.70086E-03 ppm1 2.432 ppm2 1.399 CV 1 ASSI {12133} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 106 and name HB2 )) 4.800 2.800 1.200 peak 12133 weight 0.10000E+01 volume 0.64637E-03 ppm1 2.433 ppm2 1.205 CV 1 OR {12133} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 106 and name HB1 )) ASSI {12138} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) 3.400 1.400 1.400 peak 12138 weight 0.10000E+01 volume 0.67634E-03 ppm1 1.673 ppm2 9.015 CV 1 ASSI {12140} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 125 and name HB )) 5.300 3.500 0.700 peak 12140 weight 0.10000E+01 volume 0.78402E-03 ppm1 1.670 ppm2 6.930 CV 1 ASSI {12141} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 125 and name HB )) 4.100 2.100 1.900 peak 12141 weight 0.10000E+01 volume 0.21414E-02 ppm1 1.672 ppm2 6.555 CV 1 ASSI {12167} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HA )) 4.300 2.300 1.700 peak 12167 weight 0.10000E+01 volume 0.60373E-03 ppm1 4.277 ppm2 4.831 CV 1 OR {12167} (( segid " " and resid 128 and name HB )) (( segid " " and resid 129 and name HA )) ASSI {12169} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HA )) 3.000 1.100 1.100 peak 12169 weight 0.10000E+01 volume 0.24974E-02 ppm1 4.275 ppm2 4.100 CV 1 ASSI {12170} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 2.800 1.000 1.000 peak 12170 weight 0.10000E+01 volume 0.73664E-02 ppm1 4.277 ppm2 2.461 CV 1 ASSI {12171} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HA )) 2.700 0.900 0.900 peak 12171 weight 0.10000E+01 volume 0.25461E-02 ppm1 4.276 ppm2 2.251 CV 1 ASSI {12173} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 129 and name HA )) 3.300 1.300 1.300 peak 12173 weight 0.10000E+01 volume 0.48974E-02 ppm1 4.274 ppm2 1.992 CV 1 ASSI {12174} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 129 and name HA )) 4.900 2.900 1.100 peak 12174 weight 0.10000E+01 volume 0.59073E-03 ppm1 4.268 ppm2 1.166 CV 1 ASSI {12185} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HG2%) 3.000 1.100 1.100 peak 12185 weight 0.10000E+01 volume 0.21699E-02 ppm1 0.738 ppm2 7.850 CV 1 ASSI {12190} (( segid " " and resid 77 and name HN )) ( segid " " and resid 78 and name HB% ) 4.700 2.800 1.300 peak 12190 weight 0.10000E+01 volume 0.66014E-03 ppm1 0.651 ppm2 8.303 CV 1 ASSI {12192} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HB% ) 2.300 0.600 0.600 peak 12192 weight 0.10000E+01 volume 0.11122E-01 ppm1 0.651 ppm2 8.005 CV 1 ASSI {12197} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 78 and name HB% ) 4.200 2.200 1.800 peak 12197 weight 0.10000E+01 volume 0.64627E-03 ppm1 0.649 ppm2 6.380 CV 1 ASSI {12199} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HB% ) 2.100 0.500 0.500 peak 12199 weight 0.10000E+01 volume 0.19649E-01 ppm1 0.651 ppm2 3.995 CV 1 ASSI {12200} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 78 and name HB% ) 4.200 2.200 1.800 peak 12200 weight 0.10000E+01 volume 0.13762E-02 ppm1 0.649 ppm2 3.527 CV 1 ASSI {12202} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 78 and name HB% ) 4.100 2.100 1.900 peak 12202 weight 0.10000E+01 volume 0.15483E-02 ppm1 0.652 ppm2 1.798 CV 1 OR {12202} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 78 and name HB% ) ASSI {12227} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 20 and name HB1 )) 3.200 1.300 1.300 peak 12227 weight 0.10000E+01 volume 0.78089E-03 ppm1 1.671 ppm2 0.505 CV 1 OR {12227} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 20 and name HB1 )) ASSI {12228} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB1 )) 2.600 0.800 0.800 peak 12228 weight 0.10000E+01 volume 0.56772E-03 ppm1 1.665 ppm2 1.900 CV 1 ASSI {12261} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 12261 weight 0.10000E+01 volume 0.58372E-03 ppm1 3.926 ppm2 1.563 CV 1 ASSI {12262} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 45 and name HB1 )) 3.200 1.300 1.300 peak 12262 weight 0.10000E+01 volume 0.62689E-03 ppm1 3.847 ppm2 1.565 CV 1 ASSI {12286} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 78 and name HB% ) 3.400 1.400 1.400 peak 12286 weight 0.10000E+01 volume 0.21289E-02 ppm1 0.651 ppm2 6.756 CV 1 ASSI {12287} (( segid " " and resid 75 and name HA )) ( segid " " and resid 78 and name HB% ) 2.800 1.000 1.000 peak 12287 weight 0.10000E+01 volume 0.29195E-02 ppm1 0.650 ppm2 4.369 CV 1 ASSI {12288} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 78 and name HB% ) 3.500 1.500 1.500 peak 12288 weight 0.10000E+01 volume 0.11906E-02 ppm1 0.650 ppm2 3.083 CV 1 ASSI {12318} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.100 1.200 1.200 peak 12318 weight 0.10000E+01 volume 0.94654E-03 ppm1 2.989 ppm2 9.226 CV 1 ASSI {12320} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 12320 weight 0.10000E+01 volume 0.14061E-02 ppm1 2.987 ppm2 5.883 CV 1 ASSI {12321} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 12321 weight 0.10000E+01 volume 0.25035E-02 ppm1 2.979 ppm2 7.320 CV 1 ASSI {12331} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 37 and name HB1 )) 2.600 0.900 0.900 peak 12331 weight 0.10000E+01 volume 0.27913E-02 ppm1 2.928 ppm2 7.320 CV 1 ASSI {12333} (( segid " " and resid 38 and name HA )) (( segid " " and resid 21 and name HE2 )) 3.100 1.200 1.200 peak 12333 weight 0.10000E+01 volume 0.11485E-02 ppm1 2.925 ppm2 4.873 CV 1 OR {12333} (( segid " " and resid 38 and name HA )) (( segid " " and resid 21 and name HE1 )) ASSI {12342} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 37 and name HB1 )) 3.200 1.300 1.300 peak 12342 weight 0.10000E+01 volume 0.40837E-02 ppm1 2.925 ppm2 0.397 CV 1 ASSI {12344} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 11 and name HE2 )) 2.000 0.500 0.500 peak 12344 weight 0.10000E+01 volume 0.69825E-02 ppm1 2.918 ppm2 2.545 CV 1 OR {12344} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 11 and name HE1 )) ASSI {12345} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 11 and name HE2 )) 2.700 0.900 0.900 peak 12345 weight 0.10000E+01 volume 0.61528E-02 ppm1 2.917 ppm2 2.449 CV 1 OR {12345} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 11 and name HE1 )) ASSI {12355} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 139 and name HE1 )) 4.300 2.300 1.700 peak 12355 weight 0.10000E+01 volume 0.79172E-03 ppm1 2.758 ppm2 2.207 CV 1 ASSI {12361} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 139 and name HE2 )) 3.900 1.900 1.900 peak 12361 weight 0.10000E+01 volume 0.64033E-03 ppm1 2.694 ppm2 6.697 CV 1 ASSI {12363} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HE2 )) 2.500 0.800 0.800 peak 12363 weight 0.10000E+01 volume 0.10313E-01 ppm1 2.695 ppm2 1.157 CV 1 OR {12363} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HE2 )) ASSI {12370} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.600 0.800 0.800 peak 12370 weight 0.10000E+01 volume 0.12377E-02 ppm1 1.895 ppm2 8.587 CV 1 ASSI {12374} (( segid " " and resid 20 and name HG )) (( segid " " and resid 20 and name HB2 )) 2.400 0.700 0.700 peak 12374 weight 0.10000E+01 volume 0.60181E-02 ppm1 1.895 ppm2 0.972 CV 1 ASSI {12405} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 12405 weight 0.10000E+01 volume 0.19829E-02 ppm1 3.928 ppm2 8.313 CV 1 ASSI {12406} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 12406 weight 0.10000E+01 volume 0.15163E-02 ppm1 3.927 ppm2 7.497 CV 1 ASSI {12407} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 45 and name HB2 )) 4.900 3.000 1.100 peak 12407 weight 0.10000E+01 volume 0.63027E-03 ppm1 3.926 ppm2 7.202 CV 1 ASSI {12408} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.300 0.700 0.700 peak 12408 weight 0.10000E+01 volume 0.67440E-02 ppm1 3.928 ppm2 4.696 CV 1 ASSI {12409} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HB2 )) 3.300 1.400 1.400 peak 12409 weight 0.10000E+01 volume 0.11505E-02 ppm1 3.927 ppm2 3.404 CV 1 ASSI {12412} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 12412 weight 0.10000E+01 volume 0.35225E-02 ppm1 3.927 ppm2 0.992 CV 1 ASSI {12416} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 3.200 1.300 1.300 peak 12416 weight 0.10000E+01 volume 0.20081E-02 ppm1 3.848 ppm2 8.313 CV 1 ASSI {12419} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 45 and name HB1 )) 4.800 2.900 1.200 peak 12419 weight 0.10000E+01 volume 0.57448E-03 ppm1 3.849 ppm2 7.200 CV 1 ASSI {12420} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 12420 weight 0.10000E+01 volume 0.64619E-02 ppm1 3.850 ppm2 4.696 CV 1 ASSI {12421} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HB1 )) 3.000 1.100 1.100 peak 12421 weight 0.10000E+01 volume 0.10986E-02 ppm1 3.851 ppm2 3.400 CV 1 ASSI {12422} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 45 and name HB1 )) 4.800 2.900 1.200 peak 12422 weight 0.10000E+01 volume 0.60230E-03 ppm1 3.846 ppm2 2.205 CV 1 ASSI {12424} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 45 and name HB1 )) 3.300 1.400 1.400 peak 12424 weight 0.10000E+01 volume 0.35772E-02 ppm1 3.848 ppm2 0.993 CV 1 ASSI {12428} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HB% ) 3.400 1.500 1.500 peak 12428 weight 0.10000E+01 volume 0.44858E-02 ppm1 1.441 ppm2 8.589 CV 1 ASSI {12429} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HB% ) 3.600 1.600 1.600 peak 12429 weight 0.10000E+01 volume 0.83960E-03 ppm1 1.442 ppm2 8.050 CV 1 ASSI {12433} (( segid " " and resid 115 and name HA )) ( segid " " and resid 64 and name HB% ) 3.700 1.700 1.700 peak 12433 weight 0.10000E+01 volume 0.10727E-02 ppm1 1.442 ppm2 5.271 CV 1 ASSI {12435} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HB% ) 2.100 0.600 0.600 peak 12435 weight 0.10000E+01 volume 0.17302E-01 ppm1 1.441 ppm2 4.601 CV 1 ASSI {12436} (( segid " " and resid 65 and name HD2 )) ( segid " " and resid 64 and name HB% ) 2.200 0.600 0.600 peak 12436 weight 0.10000E+01 volume 0.61722E-02 ppm1 1.441 ppm2 4.080 CV 1 ASSI {12438} (( segid " " and resid 65 and name HD1 )) ( segid " " and resid 64 and name HB% ) 2.800 1.000 1.000 peak 12438 weight 0.10000E+01 volume 0.60767E-02 ppm1 1.441 ppm2 3.461 CV 1 ASSI {12441} (( segid " " and resid 65 and name HG2 )) ( segid " " and resid 64 and name HB% ) 4.400 2.500 1.600 peak 12441 weight 0.10000E+01 volume 0.16771E-02 ppm1 1.441 ppm2 1.984 CV 1 OR {12441} (( segid " " and resid 65 and name HG1 )) ( segid " " and resid 64 and name HB% ) ASSI {12448} (( segid " " and resid 77 and name HG1 )) ( segid " " and resid 78 and name HB% ) 4.000 2.000 2.000 peak 12448 weight 0.10000E+01 volume 0.10420E-02 ppm1 0.647 ppm2 1.622 CV 1 ASSI {12465} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.900 1.000 1.000 peak 12465 weight 0.10000E+01 volume 0.13552E-02 ppm1 2.938 ppm2 9.388 CV 1 ASSI {12467} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB1 )) 3.400 1.500 1.500 peak 12467 weight 0.10000E+01 volume 0.12416E-02 ppm1 2.931 ppm2 5.883 CV 1 ASSI {12469} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 21 and name HE2 )) 3.400 1.400 1.400 peak 12469 weight 0.10000E+01 volume 0.11053E-01 ppm1 2.915 ppm2 2.649 CV 1 OR {12469} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 21 and name HE1 )) ASSI {12471} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HE2 )) 4.000 2.000 2.000 peak 12471 weight 0.10000E+01 volume 0.13737E-02 ppm1 2.888 ppm2 4.104 CV 1 OR {12471} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HE1 )) ASSI {12475} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 139 and name HE2 )) 2.600 0.800 0.800 peak 12475 weight 0.10000E+01 volume 0.47011E-02 ppm1 2.693 ppm2 1.000 CV 1 OR {12475} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 139 and name HE2 )) ASSI {12520} (( segid " " and resid 77 and name HG2 )) ( segid " " and resid 78 and name HB% ) 3.800 1.800 1.800 peak 12520 weight 0.10000E+01 volume 0.80306E-03 ppm1 0.653 ppm2 1.573 CV 1 OR {12520} (( segid " " and resid 77 and name HG1 )) ( segid " " and resid 78 and name HB% ) ASSI {12618} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 104 and name HE2 )) 1.500 0.300 0.700 peak 12618 weight 0.10000E+01 volume 0.23528E-01 ppm1 2.862 ppm2 2.686 CV 1 ASSI {12624} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HE1 )) 2.200 0.600 0.600 peak 12624 weight 0.10000E+01 volume 0.79269E-02 ppm1 2.684 ppm2 1.635 CV 1 ASSI {12625} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 104 and name HE1 )) 3.000 1.200 1.200 peak 12625 weight 0.10000E+01 volume 0.23771E-02 ppm1 2.684 ppm2 1.459 CV 1 ASSI {12660} (( segid " " and resid 92 and name HN )) ( segid " " and resid 91 and name HB% ) 2.600 0.900 0.900 peak 12660 weight 0.10000E+01 volume 0.78767E-02 ppm1 1.552 ppm2 7.440 CV 1 ASSI {12665} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 91 and name HB% ) 3.600 1.600 1.600 peak 12665 weight 0.10000E+01 volume 0.28535E-02 ppm1 1.550 ppm2 2.717 CV 1 OR {12665} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 91 and name HB% ) ASSI {12674} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 94 and name HB% ) 3.400 1.500 1.500 peak 12674 weight 0.10000E+01 volume 0.41802E-02 ppm1 1.546 ppm2 0.827 CV 1 ASSI {12743} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 12743 weight 0.10000E+01 volume 0.67015E-02 ppm1 3.702 ppm2 1.057 CV 1 OR {12743} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 33 and name HB1 )) ASSI {12744} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 33 and name HB2 )) 4.100 2.100 1.900 peak 12744 weight 0.10000E+01 volume 0.22230E-02 ppm1 3.702 ppm2 0.926 CV 1 OR {12744} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 33 and name HB1 )) ASSI {12788} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 1.900 0.500 0.500 peak 12788 weight 0.10000E+01 volume 0.77025E-02 ppm1 3.699 ppm2 8.115 CV 1 OR {12788} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI {12790} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 33 and name HB1 )) 2.900 1.100 1.100 peak 12790 weight 0.10000E+01 volume 0.17346E-02 ppm1 3.699 ppm2 7.221 CV 1 OR {12790} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 33 and name HB2 )) ASSI {12791} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 12791 weight 0.10000E+01 volume 0.98743E-02 ppm1 3.701 ppm2 4.572 CV 1 OR {12791} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) ASSI {12858} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.100 0.500 0.500 peak 12858 weight 0.10000E+01 volume 0.70616E-02 ppm1 2.913 ppm2 7.563 CV 1 ASSI {12859} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 12859 weight 0.10000E+01 volume 0.43320E-02 ppm1 2.911 ppm2 4.540 CV 1 ASSI {12860} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB1 )) 3.000 1.100 1.100 peak 12860 weight 0.10000E+01 volume 0.21829E-02 ppm1 2.913 ppm2 4.058 CV 1 ASSI {12861} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 1.500 0.300 0.700 peak 12861 weight 0.10000E+01 volume 0.21965E-01 ppm1 2.912 ppm2 2.620 CV 1 ASSI {12865} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.900 1.000 1.000 peak 12865 weight 0.10000E+01 volume 0.39307E-02 ppm1 2.623 ppm2 4.539 CV 1 ASSI {12871} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.200 0.600 0.600 peak 12871 weight 0.10000E+01 volume 0.55265E-02 ppm1 1.780 ppm2 7.897 CV 1 ASSI {12872} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.400 0.700 0.700 peak 12872 weight 0.10000E+01 volume 0.30490E-02 ppm1 1.777 ppm2 7.670 CV 1 ASSI {12922} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 25 and name HB1 )) 4.100 2.100 1.900 peak 12922 weight 0.10000E+01 volume 0.97814E-03 ppm1 2.926 ppm2 2.119 CV 1 OR {12922} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HB1 )) ASSI {12930} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 100 and name HB1 )) 4.000 2.000 2.000 peak 12930 weight 0.10000E+01 volume 0.10128E-02 ppm1 1.792 ppm2 2.035 CV 1 ASSI {12934} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 100 and name HB1 )) 4.000 2.000 2.000 peak 12934 weight 0.10000E+01 volume 0.11926E-02 ppm1 1.780 ppm2 2.142 CV 1 OR {12934} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 100 and name HB1 )) ASSI {12937} (( segid " " and resid 100 and name HG )) (( segid " " and resid 100 and name HB2 )) 3.700 1.700 1.700 peak 12937 weight 0.10000E+01 volume 0.61719E-03 ppm1 1.454 ppm2 1.216 CV 1 ASSI {12946} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HB1 )) 2.900 1.100 1.100 peak 12946 weight 0.10000E+01 volume 0.13131E-02 ppm1 3.439 ppm2 3.738 CV 1 ASSI {12962} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HB2 )) 1.900 0.500 0.500 peak 12962 weight 0.10000E+01 volume 0.44579E-02 ppm1 2.801 ppm2 2.650 CV 1 ASSI {12965} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 3.500 1.500 1.500 peak 12965 weight 0.10000E+01 volume 0.95949E-03 ppm1 2.787 ppm2 4.689 CV 1 ASSI {12975} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB1 )) 3.100 1.200 1.200 peak 12975 weight 0.10000E+01 volume 0.14142E-02 ppm1 1.516 ppm2 4.062 CV 1 OR {12975} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI {12979} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HB1 )) 2.800 0.900 0.900 peak 12979 weight 0.10000E+01 volume 0.28947E-02 ppm1 1.520 ppm2 0.698 CV 1 OR {12979} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HB2 )) ASSI {12980} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 17 and name HB2 )) 4.600 2.600 1.400 peak 12980 weight 0.10000E+01 volume 0.56004E-03 ppm1 1.520 ppm2 0.551 CV 1 OR {12980} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 17 and name HB1 )) ASSI {12982} (( segid " " and resid 24 and name HA )) (( segid " " and resid 100 and name HB2 )) 4.600 2.700 1.400 peak 12982 weight 0.10000E+01 volume 0.85151E-03 ppm1 1.451 ppm2 4.244 CV 1 ASSI {12993} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 12993 weight 0.10000E+01 volume 0.12294E-02 ppm1 3.915 ppm2 7.326 CV 1 ASSI {12995} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.400 0.700 0.700 peak 12995 weight 0.10000E+01 volume 0.43678E-02 ppm1 3.915 ppm2 4.275 CV 1 ASSI {12997} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HB2 )) 1.700 0.400 0.500 peak 12997 weight 0.10000E+01 volume 0.86110E-02 ppm1 3.916 ppm2 3.439 CV 1 ASSI {13000} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 24 and name HB2 )) 3.500 1.500 1.500 peak 13000 weight 0.10000E+01 volume 0.66953E-03 ppm1 3.917 ppm2 0.755 CV 1 ASSI {13001} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 24 and name HB2 )) 3.300 1.300 1.300 peak 13001 weight 0.10000E+01 volume 0.18674E-02 ppm1 3.916 ppm2 0.492 CV 1 ASSI {13004} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 24 and name HB1 )) 3.400 1.400 1.400 peak 13004 weight 0.10000E+01 volume 0.96397E-03 ppm1 3.440 ppm2 7.321 CV 1 ASSI {13036} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 123 and name HB2 )) 2.600 0.800 0.800 peak 13036 weight 0.10000E+01 volume 0.80600E-03 ppm1 2.791 ppm2 3.034 CV 1 ASSI {13084} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 13084 weight 0.10000E+01 volume 0.12158E-02 ppm1 2.038 ppm2 8.358 CV 1 ASSI {13089} (( segid " " and resid 29 and name HA )) ( segid " " and resid 30 and name HE% ) 4.000 2.000 2.000 peak 13089 weight 0.10000E+01 volume 0.24856E-02 ppm1 2.035 ppm2 4.574 CV 1 ASSI {13103} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 30 and name HE% ) 2.600 0.900 0.900 peak 13103 weight 0.10000E+01 volume 0.75069E-02 ppm1 2.033 ppm2 2.517 CV 1 OR {13103} (( segid " " and resid 30 and name HG2 )) ( segid " " and resid 30 and name HE% ) ASSI {13115} (( segid " " and resid 110 and name HD2 )) ( segid " " and resid 71 and name HG2%) 2.700 0.900 0.900 peak 13115 weight 0.10000E+01 volume 0.75855E-03 ppm1 1.015 ppm2 3.726 CV 1 ASSI {13119} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HG2%) 4.100 2.100 1.900 peak 13119 weight 0.10000E+01 volume 0.73219E-03 ppm1 0.893 ppm2 8.325 CV 1 ASSI {13121} (( segid " " and resid 57 and name HN )) ( segid " " and resid 53 and name HG2%) 5.300 3.500 0.700 peak 13121 weight 0.10000E+01 volume 0.12062E-02 ppm1 0.893 ppm2 7.842 CV 1 ASSI {13122} (( segid " " and resid 56 and name HN )) ( segid " " and resid 53 and name HG2%) 4.500 2.500 1.500 peak 13122 weight 0.10000E+01 volume 0.79105E-03 ppm1 0.893 ppm2 7.662 CV 1 ASSI {13123} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HG2%) 2.500 0.800 0.800 peak 13123 weight 0.10000E+01 volume 0.71652E-02 ppm1 0.893 ppm2 7.404 CV 1 ASSI {13125} (( segid " " and resid 50 and name HN )) ( segid " " and resid 53 and name HG2%) 3.500 1.600 1.600 peak 13125 weight 0.10000E+01 volume 0.40303E-02 ppm1 0.893 ppm2 6.690 CV 1 ASSI {13128} (( segid " " and resid 45 and name HA )) ( segid " " and resid 53 and name HG2%) 3.000 1.100 1.100 peak 13128 weight 0.10000E+01 volume 0.23990E-02 ppm1 0.890 ppm2 4.717 CV 1 ASSI {13131} (( segid " " and resid 54 and name HA )) ( segid " " and resid 53 and name HG2%) 3.300 1.400 1.400 peak 13131 weight 0.10000E+01 volume 0.28007E-02 ppm1 0.893 ppm2 3.029 CV 1 ASSI {13132} (( segid " " and resid 56 and name HG2 )) ( segid " " and resid 53 and name HG2%) 4.200 2.200 1.800 peak 13132 weight 0.10000E+01 volume 0.79650E-03 ppm1 0.893 ppm2 2.168 CV 1 ASSI {13134} (( segid " " and resid 53 and name HB )) ( segid " " and resid 53 and name HG2%) 1.900 0.500 0.500 peak 13134 weight 0.10000E+01 volume 0.12576E-01 ppm1 0.892 ppm2 1.789 CV 1 ASSI {13140} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 53 and name HG2%) 4.400 2.400 1.600 peak 13140 weight 0.10000E+01 volume 0.31816E-02 ppm1 0.892 ppm2 0.304 CV 1 OR {13140} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 53 and name HG2%) ASSI {13188} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.900 1.100 1.100 peak 13188 weight 0.10000E+01 volume 0.52063E-02 ppm1 3.671 ppm2 2.045 CV 1 ASSI {13196} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 13196 weight 0.10000E+01 volume 0.22676E-02 ppm1 2.028 ppm2 4.712 CV 1 ASSI {13213} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 71 and name HG2%) 2.300 0.700 0.700 peak 13213 weight 0.10000E+01 volume 0.40802E-02 ppm1 1.018 ppm2 2.868 CV 1 ASSI {13218} (( segid " " and resid 111 and name HN )) ( segid " " and resid 71 and name HG2%) 4.200 2.200 1.800 peak 13218 weight 0.10000E+01 volume 0.57980E-03 ppm1 1.018 ppm2 8.809 CV 1 ASSI {13219} (( segid " " and resid 73 and name HN )) ( segid " " and resid 71 and name HG2%) 4.500 2.500 1.500 peak 13219 weight 0.10000E+01 volume 0.96018E-03 ppm1 1.018 ppm2 8.499 CV 1 ASSI {13221} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HG2%) 1.800 0.400 0.400 peak 13221 weight 0.10000E+01 volume 0.87697E-02 ppm1 1.018 ppm2 7.894 CV 1 ASSI {13227} (( segid " " and resid 71 and name HA )) ( segid " " and resid 71 and name HG2%) 2.800 1.000 1.000 peak 13227 weight 0.10000E+01 volume 0.46791E-02 ppm1 1.018 ppm2 4.069 CV 1 ASSI {13228} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 71 and name HG2%) 2.900 1.100 1.100 peak 13228 weight 0.10000E+01 volume 0.25194E-02 ppm1 1.018 ppm2 2.175 CV 1 OR {13228} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 71 and name HG2%) ASSI {13230} (( segid " " and resid 71 and name HG11)) ( segid " " and resid 71 and name HG2%) 2.700 0.900 0.900 peak 13230 weight 0.10000E+01 volume 0.79853E-02 ppm1 1.017 ppm2 1.359 CV 1 ASSI {13231} (( segid " " and resid 100 and name HG )) ( segid " " and resid 71 and name HG2%) 3.300 1.400 1.400 peak 13231 weight 0.10000E+01 volume 0.34413E-02 ppm1 1.016 ppm2 1.183 CV 1 ASSI {13235} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 3.100 1.200 1.200 peak 13235 weight 0.10000E+01 volume 0.20398E-02 ppm1 0.650 ppm2 3.977 CV 1 ASSI {13275} (( segid " " and resid 12 and name HB )) (( segid " " and resid 17 and name HB1 )) 4.900 3.000 1.100 peak 13275 weight 0.10000E+01 volume 0.61003E-03 ppm1 1.551 ppm2 4.245 CV 1 OR {13275} (( segid " " and resid 12 and name HB )) (( segid " " and resid 17 and name HB2 )) ASSI {13286} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.200 0.600 0.600 peak 13286 weight 0.10000E+01 volume 0.93906E-02 ppm1 3.659 ppm2 6.691 CV 1 ASSI {13288} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 13288 weight 0.10000E+01 volume 0.82655E-03 ppm1 3.659 ppm2 4.746 CV 1 ASSI {13292} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 13292 weight 0.10000E+01 volume 0.60204E-02 ppm1 3.660 ppm2 0.718 CV 1 ASSI {13342} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HA )) 3.800 1.800 1.800 peak 13342 weight 0.10000E+01 volume 0.68553E-03 ppm1 3.658 ppm2 4.564 CV 1 ASSI {13345} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 13345 weight 0.10000E+01 volume 0.16764E-02 ppm1 3.659 ppm2 1.227 CV 1 OR {13345} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 49 and name HA )) ASSI {13349} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.200 1.200 peak 13349 weight 0.10000E+01 volume 0.12186E-02 ppm1 3.478 ppm2 8.285 CV 1 ASSI {13356} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 13356 weight 0.10000E+01 volume 0.37464E-02 ppm1 3.478 ppm2 1.205 CV 1 ASSI {13358} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HA )) 2.200 0.600 0.600 peak 13358 weight 0.10000E+01 volume 0.61013E-02 ppm1 3.478 ppm2 0.624 CV 1 ASSI {13398} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 13398 weight 0.10000E+01 volume 0.27629E-02 ppm1 4.074 ppm2 9.095 CV 1 ASSI {13401} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 13401 weight 0.10000E+01 volume 0.99102E-03 ppm1 4.074 ppm2 7.670 CV 1 ASSI {13402} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 71 and name HA )) 5.000 3.200 1.000 peak 13402 weight 0.10000E+01 volume 0.80098E-03 ppm1 4.073 ppm2 6.537 CV 1 ASSI {13408} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) 3.400 1.500 1.500 peak 13408 weight 0.10000E+01 volume 0.22274E-02 ppm1 4.073 ppm2 2.861 CV 1 ASSI {13409} (( segid " " and resid 71 and name HB )) (( segid " " and resid 71 and name HA )) 2.000 0.500 0.500 peak 13409 weight 0.10000E+01 volume 0.58149E-02 ppm1 4.073 ppm2 1.678 CV 1 ASSI {13410} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 13410 weight 0.10000E+01 volume 0.23184E-02 ppm1 4.074 ppm2 1.363 CV 1 ASSI {13465} (( segid " " and resid 112 and name HB )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 13465 weight 0.10000E+01 volume 0.69357E-03 ppm1 4.072 ppm2 1.868 CV 1 ASSI {13496} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 16 and name HG2%) 2.500 0.800 0.800 peak 13496 weight 0.10000E+01 volume 0.53486E-02 ppm1 0.625 ppm2 2.445 CV 1 OR {13496} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 16 and name HG2%) ASSI {13498} (( segid " " and resid 16 and name HG11)) ( segid " " and resid 16 and name HG2%) 2.900 1.100 1.100 peak 13498 weight 0.10000E+01 volume 0.58436E-02 ppm1 0.625 ppm2 1.207 CV 1 ASSI {13614} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 113 and name HB2 )) 2.500 0.800 0.800 peak 13614 weight 0.10000E+01 volume 0.23626E-02 ppm1 3.047 ppm2 6.930 CV 1 ASSI {13615} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HB2 )) 1.800 0.400 0.400 peak 13615 weight 0.10000E+01 volume 0.60550E-02 ppm1 3.047 ppm2 2.547 CV 1 ASSI {13617} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 87 and name HB2 )) 3.700 1.700 1.700 peak 13617 weight 0.10000E+01 volume 0.25326E-02 ppm1 2.704 ppm2 2.115 CV 1 OR {13617} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 87 and name HB1 )) ASSI {13618} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 72 and name HB1 )) 4.400 2.400 1.600 peak 13618 weight 0.10000E+01 volume 0.59424E-03 ppm1 2.627 ppm2 2.170 CV 1 OR {13618} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 72 and name HB1 )) ASSI {13621} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 113 and name HB1 )) 2.600 0.800 0.800 peak 13621 weight 0.10000E+01 volume 0.29167E-02 ppm1 2.545 ppm2 6.930 CV 1 ASSI {13622} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HB1 )) 4.400 2.500 1.600 peak 13622 weight 0.10000E+01 volume 0.58914E-03 ppm1 2.545 ppm2 6.560 CV 1 ASSI {13623} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB1 )) 2.600 0.800 0.800 peak 13623 weight 0.10000E+01 volume 0.24134E-02 ppm1 2.545 ppm2 4.801 CV 1 ASSI {13669} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HG2%) 2.800 1.000 1.000 peak 13669 weight 0.10000E+01 volume 0.38183E-02 ppm1 0.495 ppm2 8.814 CV 1 ASSI {13670} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HG2%) 2.700 0.900 0.900 peak 13670 weight 0.10000E+01 volume 0.42301E-02 ppm1 0.495 ppm2 8.549 CV 1 ASSI {13672} (( segid " " and resid 122 and name HN )) ( segid " " and resid 138 and name HG2%) 3.500 1.600 1.600 peak 13672 weight 0.10000E+01 volume 0.11061E-02 ppm1 0.495 ppm2 8.217 CV 1 ASSI {13675} (( segid " " and resid 137 and name HA )) ( segid " " and resid 138 and name HG2%) 3.900 1.900 1.900 peak 13675 weight 0.10000E+01 volume 0.10136E-02 ppm1 0.494 ppm2 5.717 CV 1 ASSI {13677} (( segid " " and resid 138 and name HB )) ( segid " " and resid 138 and name HG2%) 2.300 0.700 0.700 peak 13677 weight 0.10000E+01 volume 0.82886E-02 ppm1 0.495 ppm2 3.809 CV 1 ASSI {13678} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 138 and name HG2%) 3.600 1.600 1.600 peak 13678 weight 0.10000E+01 volume 0.27654E-02 ppm1 0.495 ppm2 3.128 CV 1 ASSI {13680} (( segid " " and resid 122 and name HB )) ( segid " " and resid 138 and name HG2%) 2.600 0.800 0.800 peak 13680 weight 0.10000E+01 volume 0.65855E-02 ppm1 0.495 ppm2 1.288 CV 1 ASSI {13683} ( segid " " and resid 122 and name HG2%) ( segid " " and resid 138 and name HG2%) 2.600 0.900 0.900 peak 13683 weight 0.10000E+01 volume 0.55454E-02 ppm1 0.495 ppm2 0.138 CV 1 ASSI {13705} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 83 and name HB2 )) 4.900 3.000 1.100 peak 13705 weight 0.10000E+01 volume 0.57502E-03 ppm1 2.702 ppm2 1.736 CV 1 OR {13705} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 83 and name HB1 )) ASSI {13707} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.300 1.400 1.400 peak 13707 weight 0.10000E+01 volume 0.19719E-02 ppm1 2.696 ppm2 8.812 CV 1 OR {13707} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) ASSI {13708} (( segid " " and resid 84 and name HZ3 )) (( segid " " and resid 83 and name HB1 )) 3.600 1.600 1.600 peak 13708 weight 0.10000E+01 volume 0.14116E-02 ppm1 2.696 ppm2 7.668 CV 1 OR {13708} (( segid " " and resid 84 and name HZ3 )) (( segid " " and resid 83 and name HB2 )) ASSI {13711} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HB1 )) 2.800 1.000 1.000 peak 13711 weight 0.10000E+01 volume 0.61272E-02 ppm1 2.697 ppm2 4.719 CV 1 OR {13711} (( segid " " and resid 84 and name HA )) (( segid " " and resid 83 and name HB2 )) ASSI {13712} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 13712 weight 0.10000E+01 volume 0.12636E-01 ppm1 2.697 ppm2 4.158 CV 1 OR {13712} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB1 )) ASSI {13716} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 113 and name HB1 )) 3.100 1.200 1.200 peak 13716 weight 0.10000E+01 volume 0.19124E-02 ppm1 2.546 ppm2 0.704 CV 1 ASSI {13769} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 138 and name HG2%) 4.300 2.300 1.700 peak 13769 weight 0.10000E+01 volume 0.60821E-03 ppm1 0.492 ppm2 6.743 CV 1 ASSI {13770} ( segid " " and resid 74 and name HE% ) ( segid " " and resid 138 and name HG2%) 3.500 1.600 1.600 peak 13770 weight 0.10000E+01 volume 0.14098E-02 ppm1 0.494 ppm2 6.366 CV 1 ASSI {13772} (( segid " " and resid 139 and name HA )) ( segid " " and resid 138 and name HG2%) 3.500 1.500 1.500 peak 13772 weight 0.10000E+01 volume 0.10189E-02 ppm1 0.494 ppm2 5.171 CV 1 ASSI {13774} (( segid " " and resid 138 and name HA )) ( segid " " and resid 138 and name HG2%) 3.000 1.100 1.100 peak 13774 weight 0.10000E+01 volume 0.44817E-02 ppm1 0.494 ppm2 4.684 CV 1 ASSI {13791} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 13791 weight 0.10000E+01 volume 0.28163E-02 ppm1 2.709 ppm2 7.887 CV 1 ASSI {13793} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.100 1.200 1.200 peak 13793 weight 0.10000E+01 volume 0.15122E-02 ppm1 2.595 ppm2 8.500 CV 1 ASSI {13795} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.500 0.800 0.800 peak 13795 weight 0.10000E+01 volume 0.25140E-02 ppm1 2.591 ppm2 7.893 CV 1 ASSI {13847} (( segid " " and resid 113 and name HN )) ( segid " " and resid 125 and name HD1%) 4.100 2.100 1.900 peak 13847 weight 0.10000E+01 volume 0.75945E-03 ppm1 0.649 ppm2 9.413 CV 1 ASSI {13851} (( segid " " and resid 42 and name HD1 )) ( segid " " and resid 125 and name HD1%) 4.100 2.100 1.900 peak 13851 weight 0.10000E+01 volume 0.94533E-03 ppm1 0.649 ppm2 7.197 CV 1 ASSI {13852} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 125 and name HD1%) 2.200 0.600 0.600 peak 13852 weight 0.10000E+01 volume 0.42621E-02 ppm1 0.648 ppm2 6.929 CV 1 ASSI {13855} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 125 and name HD1%) 3.200 1.300 1.300 peak 13855 weight 0.10000E+01 volume 0.17560E-02 ppm1 0.648 ppm2 5.959 CV 1 ASSI {13859} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 125 and name HD1%) 2.900 1.000 1.000 peak 13859 weight 0.10000E+01 volume 0.34879E-02 ppm1 0.647 ppm2 2.793 CV 1 ASSI {13860} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 125 and name HD1%) 2.400 0.700 0.700 peak 13860 weight 0.10000E+01 volume 0.37943E-02 ppm1 0.648 ppm2 2.639 CV 1 ASSI {13881} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 83 and name HB1 )) 2.900 1.000 1.000 peak 13881 weight 0.10000E+01 volume 0.64988E-02 ppm1 2.687 ppm2 3.123 CV 1 OR {13881} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 83 and name HB2 )) ASSI {13888} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 83 and name HB2 )) 3.700 1.700 1.700 peak 13888 weight 0.10000E+01 volume 0.24998E-02 ppm1 2.684 ppm2 7.192 CV 1 OR {13888} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 83 and name HB1 )) ASSI {13937} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 13937 weight 0.10000E+01 volume 0.34070E-02 ppm1 3.914 ppm2 4.526 CV 1 ASSI {13940} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.900 1.100 1.100 peak 13940 weight 0.10000E+01 volume 0.31606E-02 ppm1 3.841 ppm2 4.530 CV 1 ASSI {13956} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 75 and name HB2 )) 3.800 1.800 1.800 peak 13956 weight 0.10000E+01 volume 0.13878E-02 ppm1 3.532 ppm2 0.755 CV 1 ASSI {13961} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.600 0.800 0.800 peak 13961 weight 0.10000E+01 volume 0.21566E-02 ppm1 1.585 ppm2 3.622 CV 1 ASSI {13962} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.600 0.300 0.600 peak 13962 weight 0.10000E+01 volume 0.60074E-02 ppm1 1.584 ppm2 1.340 CV 1 ASSI {13963} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 13963 weight 0.10000E+01 volume 0.42086E-02 ppm1 1.585 ppm2 0.558 CV 1 OR {13963} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HB2 )) ASSI {13964} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.600 0.800 0.800 peak 13964 weight 0.10000E+01 volume 0.16062E-02 ppm1 1.339 ppm2 8.201 CV 1 ASSI {13965} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.800 1.000 1.000 peak 13965 weight 0.10000E+01 volume 0.12784E-02 ppm1 1.338 ppm2 7.665 CV 1 ASSI {13968} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HB1 )) 2.300 0.700 0.700 peak 13968 weight 0.10000E+01 volume 0.49104E-02 ppm1 1.339 ppm2 0.563 CV 1 OR {13968} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 55 and name HB1 )) ASSI {13980} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HA )) 2.600 0.900 0.900 peak 13980 weight 0.10000E+01 volume 0.36671E-02 ppm1 4.095 ppm2 7.458 CV 1 ASSI {13982} (( segid " " and resid 99 and name HA )) (( segid " " and resid 96 and name HA )) 3.900 1.900 1.900 peak 13982 weight 0.10000E+01 volume 0.11082E-02 ppm1 4.096 ppm2 3.751 CV 1 ASSI {13983} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 13983 weight 0.10000E+01 volume 0.25266E-02 ppm1 4.096 ppm2 3.328 CV 1 ASSI {13984} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HA )) 3.000 1.100 1.100 peak 13984 weight 0.10000E+01 volume 0.31393E-02 ppm1 4.096 ppm2 2.821 CV 1 ASSI {14022} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 1.700 0.400 0.500 peak 14022 weight 0.10000E+01 volume 0.77142E-02 ppm1 3.532 ppm2 3.081 CV 1 ASSI {14025} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 3.200 1.300 1.300 peak 14025 weight 0.10000E+01 volume 0.31729E-02 ppm1 3.078 ppm2 7.769 CV 1 ASSI {14032} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 14032 weight 0.10000E+01 volume 0.22648E-02 ppm1 3.043 ppm2 6.535 CV 1 ASSI {14034} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 4.400 2.400 1.600 peak 14034 weight 0.10000E+01 volume 0.11829E-02 ppm1 3.046 ppm2 4.074 CV 1 ASSI {14039} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 14039 weight 0.10000E+01 volume 0.20347E-02 ppm1 2.856 ppm2 6.535 CV 1 ASSI {14041} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HB1 )) 4.600 2.700 1.400 peak 14041 weight 0.10000E+01 volume 0.84383E-03 ppm1 2.857 ppm2 0.785 CV 1 ASSI {14044} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB1 )) 1.800 0.400 0.400 peak 14044 weight 0.10000E+01 volume 0.45040E-02 ppm1 2.849 ppm2 3.041 CV 1 ASSI {14062} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 14062 weight 0.10000E+01 volume 0.21727E-02 ppm1 3.898 ppm2 7.319 CV 1 ASSI {14063} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.200 0.600 0.600 peak 14063 weight 0.10000E+01 volume 0.74488E-02 ppm1 3.898 ppm2 4.341 CV 1 ASSI {14065} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 105 and name HB2 )) 4.600 2.700 1.400 peak 14065 weight 0.10000E+01 volume 0.56022E-03 ppm1 3.900 ppm2 2.421 CV 1 OR {14065} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 105 and name HB2 )) ASSI {14066} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 105 and name HB2 )) 4.200 2.200 1.800 peak 14066 weight 0.10000E+01 volume 0.79865E-03 ppm1 3.902 ppm2 2.166 CV 1 OR {14066} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 105 and name HB2 )) ASSI {14075} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) 2.700 0.900 0.900 peak 14075 weight 0.10000E+01 volume 0.23271E-02 ppm1 3.838 ppm2 7.316 CV 1 ASSI {14076} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB1 )) 2.100 0.500 0.500 peak 14076 weight 0.10000E+01 volume 0.79822E-02 ppm1 3.838 ppm2 4.339 CV 1 ASSI {14080} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 105 and name HB1 )) 5.000 3.100 1.000 peak 14080 weight 0.10000E+01 volume 0.57235E-03 ppm1 3.832 ppm2 2.156 CV 1 OR {14080} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 105 and name HB1 )) ASSI {14145} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HD1%) 4.300 2.300 1.700 peak 14145 weight 0.10000E+01 volume 0.13734E-02 ppm1 0.806 ppm2 9.094 CV 1 ASSI {14153} (( segid " " and resid 110 and name HA )) ( segid " " and resid 71 and name HD1%) 4.500 2.600 1.500 peak 14153 weight 0.10000E+01 volume 0.89299E-03 ppm1 0.806 ppm2 5.222 CV 1 ASSI {14156} (( segid " " and resid 71 and name HA )) ( segid " " and resid 71 and name HD1%) 3.500 1.500 1.500 peak 14156 weight 0.10000E+01 volume 0.30738E-02 ppm1 0.806 ppm2 4.064 CV 1 ASSI {14157} (( segid " " and resid 110 and name HD2 )) ( segid " " and resid 71 and name HD1%) 3.100 1.200 1.200 peak 14157 weight 0.10000E+01 volume 0.68996E-03 ppm1 0.806 ppm2 3.716 CV 1 ASSI {14161} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 71 and name HD1%) 3.100 1.200 1.200 peak 14161 weight 0.10000E+01 volume 0.25973E-02 ppm1 0.807 ppm2 2.176 CV 1 OR {14161} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 71 and name HD1%) ASSI {14277} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 65 and name HA )) 4.000 2.000 2.000 peak 14277 weight 0.10000E+01 volume 0.93474E-03 ppm1 4.458 ppm2 7.000 CV 1 ASSI {14278} (( segid " " and resid 66 and name HA )) (( segid " " and resid 65 and name HA )) 4.000 2.000 2.000 peak 14278 weight 0.10000E+01 volume 0.71778E-03 ppm1 4.456 ppm2 5.609 CV 1 ASSI {14344} (( segid " " and resid 65 and name HA )) (( segid " " and resid 143 and name HA )) 4.000 2.000 2.000 peak 14344 weight 0.10000E+01 volume 0.21202E-02 ppm1 4.699 ppm2 4.479 CV 1 ASSI {14346} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 14346 weight 0.10000E+01 volume 0.13196E-01 ppm1 4.456 ppm2 8.068 CV 1 ASSI {14348} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 65 and name HA )) 3.900 1.900 1.900 peak 14348 weight 0.10000E+01 volume 0.75113E-03 ppm1 4.454 ppm2 3.457 CV 1 ASSI {14349} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 65 and name HA )) 4.300 2.300 1.700 peak 14349 weight 0.10000E+01 volume 0.86313E-03 ppm1 4.455 ppm2 2.945 CV 1 ASSI {14350} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 65 and name HA )) 4.600 2.700 1.400 peak 14350 weight 0.10000E+01 volume 0.61243E-03 ppm1 4.453 ppm2 2.771 CV 1 ASSI {14351} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HA )) 2.400 0.700 0.700 peak 14351 weight 0.10000E+01 volume 0.78123E-02 ppm1 4.455 ppm2 2.266 CV 1 OR {14351} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) ASSI {14389} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HB2 )) 2.900 1.100 1.100 peak 14389 weight 0.10000E+01 volume 0.26354E-02 ppm1 3.328 ppm2 7.459 CV 1 ASSI {14390} (( segid " " and resid 79 and name HB )) (( segid " " and resid 96 and name HB2 )) 5.200 3.300 0.800 peak 14390 weight 0.10000E+01 volume 0.78169E-03 ppm1 3.329 ppm2 4.470 CV 1 ASSI {14403} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HB1 )) 2.800 1.000 1.000 peak 14403 weight 0.10000E+01 volume 0.30390E-02 ppm1 2.823 ppm2 7.459 CV 1 ASSI {14405} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HB1 )) 1.900 0.400 0.400 peak 14405 weight 0.10000E+01 volume 0.63680E-02 ppm1 2.823 ppm2 3.327 CV 1 ASSI {14406} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 96 and name HB1 )) 2.400 0.700 0.700 peak 14406 weight 0.10000E+01 volume 0.27380E-02 ppm1 2.823 ppm2 1.271 CV 1 ASSI {14642} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 136 and name HD1%) 3.400 1.400 1.400 peak 14642 weight 0.10000E+01 volume 0.81350E-03 ppm1 0.355 ppm2 3.914 CV 1 ASSI {14644} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 136 and name HD1%) 3.500 1.500 1.500 peak 14644 weight 0.10000E+01 volume 0.93691E-03 ppm1 0.356 ppm2 3.447 CV 1 ASSI {14645} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 136 and name HD1%) 3.200 1.300 1.300 peak 14645 weight 0.10000E+01 volume 0.15185E-02 ppm1 0.355 ppm2 2.957 CV 1 OR {14645} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 136 and name HD1%) ASSI {14646} (( segid " " and resid 124 and name HB )) ( segid " " and resid 136 and name HD1%) 3.800 1.800 1.800 peak 14646 weight 0.10000E+01 volume 0.13017E-02 ppm1 0.356 ppm2 2.432 CV 1 ASSI {14651} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HD1%) 4.300 2.300 1.700 peak 14651 weight 0.10000E+01 volume 0.13547E-02 ppm1 0.351 ppm2 7.856 CV 1 ASSI {14659} (( segid " " and resid 136 and name HG12)) ( segid " " and resid 136 and name HD1%) 2.100 0.500 0.500 peak 14659 weight 0.10000E+01 volume 0.12014E-01 ppm1 0.352 ppm2 0.869 CV 1 OR {14659} (( segid " " and resid 136 and name HG11)) ( segid " " and resid 136 and name HD1%) ASSI {14682} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 71 and name HB )) 2.400 0.700 0.700 peak 14682 weight 0.10000E+01 volume 0.21500E-02 ppm1 1.694 ppm2 1.360 CV 1 ASSI {14698} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.000 0.500 0.500 peak 14698 weight 0.10000E+01 volume 0.90761E-02 ppm1 5.221 ppm2 8.799 CV 1 ASSI {14699} (( segid " " and resid 127 and name HN )) (( segid " " and resid 110 and name HA )) 4.400 2.400 1.600 peak 14699 weight 0.10000E+01 volume 0.98951E-03 ppm1 5.220 ppm2 8.617 CV 1 ASSI {14702} (( segid " " and resid 110 and name HD1 )) (( segid " " and resid 110 and name HA )) 3.200 1.300 1.300 peak 14702 weight 0.10000E+01 volume 0.87464E-03 ppm1 5.221 ppm2 3.664 CV 1 ASSI {14704} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 110 and name HA )) 4.400 2.400 1.600 peak 14704 weight 0.10000E+01 volume 0.85312E-03 ppm1 5.225 ppm2 2.372 CV 1 OR {14704} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 110 and name HA )) ASSI {14706} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HA )) 2.600 0.900 0.900 peak 14706 weight 0.10000E+01 volume 0.18539E-02 ppm1 5.222 ppm2 1.827 CV 1 OR {14706} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HA )) ASSI {14708} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 110 and name HA )) 3.700 1.700 1.700 peak 14708 weight 0.10000E+01 volume 0.67516E-03 ppm1 5.220 ppm2 1.014 CV 1 ASSI {14718} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.500 1.500 1.500 peak 14718 weight 0.10000E+01 volume 0.59337E-02 ppm1 4.010 ppm2 4.724 CV 1 ASSI {14743} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 71 and name HB )) 2.200 0.600 0.600 peak 14743 weight 0.10000E+01 volume 0.47290E-02 ppm1 1.695 ppm2 1.021 CV 1 ASSI {14790} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 81 and name HA )) 3.200 1.300 1.300 peak 14790 weight 0.10000E+01 volume 0.27716E-02 ppm1 4.346 ppm2 6.471 CV 1 ASSI {14791} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.100 0.600 0.600 peak 14791 weight 0.10000E+01 volume 0.74419E-02 ppm1 4.346 ppm2 5.215 CV 1 ASSI {14829} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 14829 weight 0.10000E+01 volume 0.44308E-02 ppm1 4.346 ppm2 6.592 CV 1 ASSI {14832} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 14832 weight 0.10000E+01 volume 0.75305E-03 ppm1 4.344 ppm2 3.778 CV 1 ASSI {14833} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 81 and name HA )) 2.400 0.700 0.700 peak 14833 weight 0.10000E+01 volume 0.61671E-02 ppm1 4.347 ppm2 2.266 CV 1 OR {14833} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) ASSI {14834} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HA )) 3.700 1.700 1.700 peak 14834 weight 0.10000E+01 volume 0.25786E-02 ppm1 4.344 ppm2 1.950 CV 1 ASSI {14836} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 81 and name HA )) 5.700 4.100 0.300 peak 14836 weight 0.10000E+01 volume 0.68773E-03 ppm1 4.347 ppm2 -0.488 CV 1 ASSI {14837} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 81 and name HA )) 3.600 1.600 1.600 peak 14837 weight 0.10000E+01 volume 0.11862E-02 ppm1 4.337 ppm2 3.899 CV 1 ASSI {14920} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 14920 weight 0.10000E+01 volume 0.35046E-02 ppm1 3.873 ppm2 8.455 CV 1 OR {14920} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) ASSI {14921} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.900 1.900 1.900 peak 14921 weight 0.10000E+01 volume 0.11377E-02 ppm1 3.872 ppm2 7.861 CV 1 OR {14921} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB2 )) ASSI {14922} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 14922 weight 0.10000E+01 volume 0.28936E-02 ppm1 3.873 ppm2 7.669 CV 1 OR {14922} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) ASSI {14924} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HB2 )) 4.400 2.500 1.600 peak 14924 weight 0.10000E+01 volume 0.66680E-03 ppm1 3.871 ppm2 4.351 CV 1 OR {14924} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HB1 )) ASSI {14925} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 14925 weight 0.10000E+01 volume 0.23236E-01 ppm1 3.874 ppm2 4.067 CV 1 OR {14925} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) ASSI {14930} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 14 and name HB1 )) 3.600 1.700 1.700 peak 14930 weight 0.10000E+01 volume 0.17997E-02 ppm1 3.872 ppm2 2.286 CV 1 OR {14930} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HB1 )) OR {14930} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 14 and name HB1 )) OR {14930} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HB2 )) OR {14930} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 14 and name HB2 )) ASSI {14932} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 14 and name HB1 )) 5.000 3.100 1.000 peak 14932 weight 0.10000E+01 volume 0.65200E-03 ppm1 3.872 ppm2 1.951 CV 1 OR {14932} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 14 and name HB2 )) ASSI {14936} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HB2 )) 4.300 2.400 1.700 peak 14936 weight 0.10000E+01 volume 0.55746E-03 ppm1 3.870 ppm2 1.361 CV 1 OR {14936} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HB1 )) ASSI {14962} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB2 )) 3.000 1.100 1.100 peak 14962 weight 0.10000E+01 volume 0.16063E-02 ppm1 3.052 ppm2 9.234 CV 1 ASSI {14963} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 109 and name HB2 )) 3.300 1.400 1.400 peak 14963 weight 0.10000E+01 volume 0.21029E-02 ppm1 3.052 ppm2 7.790 CV 1 ASSI {14966} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HB2 )) 4.800 2.800 1.200 peak 14966 weight 0.10000E+01 volume 0.64637E-03 ppm1 3.050 ppm2 4.342 CV 1 ASSI {14967} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 109 and name HB2 )) 4.800 2.900 1.200 peak 14967 weight 0.10000E+01 volume 0.66971E-03 ppm1 3.052 ppm2 3.726 CV 1 ASSI {14969} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HB2 )) 1.600 0.300 0.600 peak 14969 weight 0.10000E+01 volume 0.28371E-01 ppm1 3.052 ppm2 2.821 CV 1 ASSI {14970} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 109 and name HB2 )) 4.700 2.700 1.300 peak 14970 weight 0.10000E+01 volume 0.62426E-03 ppm1 3.054 ppm2 2.395 CV 1 OR {14970} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 109 and name HB2 )) ASSI {14977} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HB1 )) 3.700 1.700 1.700 peak 14977 weight 0.10000E+01 volume 0.16223E-02 ppm1 2.823 ppm2 9.235 CV 1 ASSI {14980} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 2.200 0.600 0.600 peak 14980 weight 0.10000E+01 volume 0.46665E-02 ppm1 2.822 ppm2 4.496 CV 1 ASSI {14985} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 109 and name HB1 )) 3.600 1.600 1.600 peak 14985 weight 0.10000E+01 volume 0.61412E-03 ppm1 2.819 ppm2 2.365 CV 1 OR {14985} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 109 and name HB1 )) ASSI {14986} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 109 and name HB1 )) 3.800 1.800 1.800 peak 14986 weight 0.10000E+01 volume 0.59201E-03 ppm1 2.819 ppm2 2.155 CV 1 OR {14986} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 109 and name HB1 )) ASSI {15027} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.200 0.600 0.600 peak 15027 weight 0.10000E+01 volume 0.12550E-01 ppm1 3.995 ppm2 4.236 CV 1 OR {15027} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) ASSI {15032} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HB1 )) 4.100 2.100 1.900 peak 15032 weight 0.10000E+01 volume 0.98377E-03 ppm1 3.875 ppm2 8.272 CV 1 OR {15032} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HB2 )) ASSI {15049} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB )) 4.500 2.500 1.500 peak 15049 weight 0.10000E+01 volume 0.98306E-03 ppm1 1.800 ppm2 4.730 CV 1 ASSI {15052} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 53 and name HB )) 2.500 0.800 0.800 peak 15052 weight 0.10000E+01 volume 0.27380E-02 ppm1 1.800 ppm2 1.235 CV 1 OR {15052} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 53 and name HB )) ASSI {15054} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 53 and name HB )) 3.900 1.900 1.900 peak 15054 weight 0.10000E+01 volume 0.13785E-02 ppm1 1.800 ppm2 0.422 CV 1 OR {15054} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 53 and name HB )) ASSI {15077} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.500 1.600 1.600 peak 15077 weight 0.10000E+01 volume 0.10830E-02 ppm1 4.075 ppm2 8.272 CV 1 ASSI {15087} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HD1%) 3.800 1.800 1.800 peak 15087 weight 0.10000E+01 volume 0.40743E-02 ppm1 0.607 ppm2 8.318 CV 1 ASSI {15088} (( segid " " and resid 99 and name HN )) ( segid " " and resid 103 and name HD1%) 4.400 2.400 1.600 peak 15088 weight 0.10000E+01 volume 0.12991E-02 ppm1 0.606 ppm2 7.891 CV 1 ASSI {15093} (( segid " " and resid 99 and name HA )) ( segid " " and resid 103 and name HD1%) 3.700 1.700 1.700 peak 15093 weight 0.10000E+01 volume 0.98331E-03 ppm1 0.607 ppm2 3.732 CV 1 ASSI {15097} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HD1%) 2.600 0.900 0.900 peak 15097 weight 0.10000E+01 volume 0.77135E-02 ppm1 0.607 ppm2 1.866 CV 1 ASSI {15098} (( segid " " and resid 103 and name HG12)) ( segid " " and resid 103 and name HD1%) 2.100 0.600 0.600 peak 15098 weight 0.10000E+01 volume 0.11819E-01 ppm1 0.606 ppm2 1.675 CV 1 OR {15098} (( segid " " and resid 103 and name HG11)) ( segid " " and resid 103 and name HD1%) ASSI {15100} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 103 and name HD1%) 2.300 0.600 0.600 peak 15100 weight 0.10000E+01 volume 0.52222E-02 ppm1 0.606 ppm2 1.106 CV 1 OR {15100} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 103 and name HD1%) ASSI {15147} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.400 1.500 1.500 peak 15147 weight 0.10000E+01 volume 0.16736E-02 ppm1 4.210 ppm2 7.624 CV 1 ASSI {15149} (( segid " " and resid 55 and name HA )) (( segid " " and resid 58 and name HA )) 4.700 2.700 1.300 peak 15149 weight 0.10000E+01 volume 0.63114E-03 ppm1 4.210 ppm2 3.612 CV 1 ASSI {15150} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.900 1.000 1.000 peak 15150 weight 0.10000E+01 volume 0.24052E-02 ppm1 4.209 ppm2 7.280 CV 1 ASSI {15153} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 15153 weight 0.10000E+01 volume 0.75033E-03 ppm1 4.207 ppm2 0.288 CV 1 OR {15153} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HA )) ASSI {15154} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HA )) 4.600 2.600 1.400 peak 15154 weight 0.10000E+01 volume 0.59818E-03 ppm1 4.073 ppm2 2.289 CV 1 OR {15154} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 14 and name HA )) OR {15154} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 14 and name HA )) ASSI {15155} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.000 1.100 1.100 peak 15155 weight 0.10000E+01 volume 0.22161E-02 ppm1 4.074 ppm2 1.789 CV 1 OR {15155} (( segid " " and resid 41 and name HG )) (( segid " " and resid 14 and name HA )) ASSI {15190} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.300 0.600 0.600 peak 15190 weight 0.10000E+01 volume 0.53025E-02 ppm1 5.239 ppm2 9.397 CV 1 ASSI {15191} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 36 and name HA )) 4.100 2.100 1.900 peak 15191 weight 0.10000E+01 volume 0.67099E-03 ppm1 5.240 ppm2 7.318 CV 1 ASSI {15193} (( segid " " and resid 28 and name HA )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 15193 weight 0.10000E+01 volume 0.44984E-02 ppm1 5.240 ppm2 4.751 CV 1 ASSI {15194} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 15194 weight 0.10000E+01 volume 0.11708E-02 ppm1 5.242 ppm2 3.703 CV 1 OR {15194} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HA )) ASSI {15196} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) 2.100 0.600 0.600 peak 15196 weight 0.10000E+01 volume 0.78199E-02 ppm1 5.240 ppm2 2.318 CV 1 OR {15196} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI {15197} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) 3.900 1.900 1.900 peak 15197 weight 0.10000E+01 volume 0.15388E-02 ppm1 5.239 ppm2 2.146 CV 1 ASSI {15198} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HA )) 3.800 1.800 1.800 peak 15198 weight 0.10000E+01 volume 0.10820E-02 ppm1 5.241 ppm2 1.904 CV 1 ASSI {15199} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 36 and name HA )) 4.500 2.500 1.500 peak 15199 weight 0.10000E+01 volume 0.80894E-03 ppm1 5.242 ppm2 1.526 CV 1 ASSI {15200} (( segid " " and resid 28 and name HG )) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.100 peak 15200 weight 0.10000E+01 volume 0.57875E-03 ppm1 5.240 ppm2 1.022 CV 1 ASSI {15203} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 36 and name HA )) 4.900 3.000 1.100 peak 15203 weight 0.10000E+01 volume 0.69326E-03 ppm1 5.236 ppm2 1.708 CV 1 ASSI {15206} (( segid " " and resid 110 and name HA )) (( segid " " and resid 124 and name HA )) 3.800 1.800 1.800 peak 15206 weight 0.10000E+01 volume 0.22491E-02 ppm1 4.672 ppm2 5.242 CV 1 ASSI {15208} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HA )) 3.900 1.900 1.900 peak 15208 weight 0.10000E+01 volume 0.74071E-03 ppm1 4.220 ppm2 4.507 CV 1 ASSI {15209} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 58 and name HA )) 4.600 2.600 1.400 peak 15209 weight 0.10000E+01 volume 0.63061E-03 ppm1 4.208 ppm2 3.758 CV 1 ASSI {15245} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB1 )) 3.000 1.100 1.100 peak 15245 weight 0.10000E+01 volume 0.25683E-02 ppm1 2.709 ppm2 4.710 CV 1 OR {15245} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB2 )) ASSI {15246} (( segid " " and resid 87 and name HA )) (( segid " " and resid 90 and name HB2 )) 3.200 1.300 1.300 peak 15246 weight 0.10000E+01 volume 0.19105E-02 ppm1 2.707 ppm2 4.364 CV 1 OR {15246} (( segid " " and resid 87 and name HA )) (( segid " " and resid 90 and name HB1 )) ASSI {15253} (( segid " " and resid 111 and name HE21)) (( segid " " and resid 124 and name HA )) 4.900 3.000 1.100 peak 15253 weight 0.10000E+01 volume 0.63967E-03 ppm1 4.695 ppm2 7.233 CV 1 ASSI {15277} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HD1%) 3.600 1.600 1.600 peak 15277 weight 0.10000E+01 volume 0.22967E-02 ppm1 0.850 ppm2 8.297 CV 1 ASSI {15292} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 29 and name HD% ) 2.900 1.000 1.000 peak 15292 weight 0.10000E+01 volume 0.22818E-02 ppm1 7.221 ppm2 2.947 CV 1 OR {15292} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 29 and name HD% ) ASSI {15295} ( segid " " and resid 27 and name HD1%) ( segid " " and resid 29 and name HD% ) 4.000 2.000 2.000 peak 15295 weight 0.10000E+01 volume 0.74685E-03 ppm1 7.219 ppm2 0.318 CV 1 ASSI {15307} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 2.400 0.700 0.700 peak 15307 weight 0.10000E+01 volume 0.40372E-02 ppm1 1.866 ppm2 8.304 CV 1 ASSI {15311} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 103 and name HB )) 2.800 1.000 1.000 peak 15311 weight 0.10000E+01 volume 0.23353E-02 ppm1 1.865 ppm2 1.671 CV 1 OR {15311} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 103 and name HB )) ASSI {15312} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HB )) 2.400 0.700 0.700 peak 15312 weight 0.10000E+01 volume 0.73856E-02 ppm1 1.867 ppm2 0.623 CV 1 OR {15312} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HB )) ASSI {15337} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HD1%) 3.700 1.700 1.700 peak 15337 weight 0.10000E+01 volume 0.31578E-02 ppm1 0.850 ppm2 7.876 CV 1 ASSI {15338} (( segid " " and resid 106 and name HN )) ( segid " " and resid 16 and name HD1%) 3.900 1.900 1.900 peak 15338 weight 0.10000E+01 volume 0.10200E-02 ppm1 0.849 ppm2 7.311 CV 1 ASSI {15343} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HD1%) 3.400 1.500 1.500 peak 15343 weight 0.10000E+01 volume 0.41395E-02 ppm1 0.850 ppm2 3.478 CV 1 ASSI {15345} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 16 and name HD1%) 2.500 0.800 0.800 peak 15345 weight 0.10000E+01 volume 0.62881E-02 ppm1 0.851 ppm2 2.447 CV 1 OR {15345} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 16 and name HD1%) ASSI {15349} (( segid " " and resid 16 and name HG11)) ( segid " " and resid 16 and name HD1%) 2.000 0.500 0.500 peak 15349 weight 0.10000E+01 volume 0.97072E-02 ppm1 0.850 ppm2 1.206 CV 1 ASSI {15370} (( segid " " and resid 120 and name HN )) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 15370 weight 0.10000E+01 volume 0.12564E-02 ppm1 4.997 ppm2 9.159 CV 1 ASSI {15371} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.200 0.600 0.600 peak 15371 weight 0.10000E+01 volume 0.81780E-02 ppm1 4.997 ppm2 8.834 CV 1 ASSI {15373} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 15373 weight 0.10000E+01 volume 0.57622E-02 ppm1 4.997 ppm2 0.919 CV 1 ASSI {15385} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 15385 weight 0.10000E+01 volume 0.12677E-02 ppm1 4.369 ppm2 1.702 CV 1 OR {15385} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HA )) ASSI {15387} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name HA )) 2.400 0.700 0.700 peak 15387 weight 0.10000E+01 volume 0.90907E-02 ppm1 4.356 ppm2 4.171 CV 1 ASSI {15390} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HA )) 4.200 2.200 1.800 peak 15390 weight 0.10000E+01 volume 0.69927E-03 ppm1 4.335 ppm2 3.913 CV 1 ASSI {15394} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 15394 weight 0.10000E+01 volume 0.57647E-02 ppm1 4.237 ppm2 6.534 CV 1 ASSI {15395} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 15395 weight 0.10000E+01 volume 0.56570E-02 ppm1 4.238 ppm2 3.043 CV 1 ASSI {15396} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.600 0.900 0.900 peak 15396 weight 0.10000E+01 volume 0.41516E-02 ppm1 4.238 ppm2 2.856 CV 1 ASSI {15446} (( segid " " and resid 119 and name HA )) (( segid " " and resid 141 and name HA )) 1.800 0.400 0.400 peak 15446 weight 0.10000E+01 volume 0.31759E-02 ppm1 4.997 ppm2 4.695 CV 1 ASSI {15449} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 15449 weight 0.10000E+01 volume 0.12070E-02 ppm1 4.997 ppm2 2.005 CV 1 ASSI {15460} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.300 0.600 0.600 peak 15460 weight 0.10000E+01 volume 0.42913E-02 ppm1 4.846 ppm2 9.411 CV 1 ASSI {15461} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 112 and name HA )) 3.900 1.900 1.900 peak 15461 weight 0.10000E+01 volume 0.74629E-03 ppm1 4.847 ppm2 6.916 CV 1 ASSI {15463} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 15463 weight 0.10000E+01 volume 0.23046E-02 ppm1 4.846 ppm2 0.825 CV 1 OR {15463} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 112 and name HA )) ASSI {15464} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 112 and name HA )) 2.600 0.800 0.800 peak 15464 weight 0.10000E+01 volume 0.32896E-02 ppm1 4.847 ppm2 -0.229 CV 1 ASSI {15484} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 10 and name HA )) 4.600 2.700 1.400 peak 15484 weight 0.10000E+01 volume 0.71069E-03 ppm1 4.361 ppm2 2.252 CV 1 ASSI {15485} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 10 and name HA )) 4.500 2.600 1.500 peak 15485 weight 0.10000E+01 volume 0.99504E-03 ppm1 4.354 ppm2 1.522 CV 1 OR {15485} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 10 and name HA )) OR {15485} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 10 and name HA )) ASSI {15508} (( segid " " and resid 53 and name HN )) ( segid " " and resid 53 and name HD1%) 4.000 2.000 2.000 peak 15508 weight 0.10000E+01 volume 0.13868E-02 ppm1 0.988 ppm2 8.319 CV 1 ASSI {15509} (( segid " " and resid 54 and name HN )) ( segid " " and resid 53 and name HD1%) 3.900 1.900 1.900 peak 15509 weight 0.10000E+01 volume 0.38675E-02 ppm1 0.987 ppm2 7.406 CV 1 ASSI {15510} (( segid " " and resid 56 and name HE21)) ( segid " " and resid 53 and name HD1%) 4.900 3.000 1.100 peak 15510 weight 0.10000E+01 volume 0.72538E-03 ppm1 0.988 ppm2 7.228 CV 1 ASSI {15511} (( segid " " and resid 50 and name HN )) ( segid " " and resid 53 and name HD1%) 2.900 1.000 1.000 peak 15511 weight 0.10000E+01 volume 0.60005E-02 ppm1 0.987 ppm2 6.690 CV 1 ASSI {15515} (( segid " " and resid 53 and name HA )) ( segid " " and resid 53 and name HD1%) 2.100 0.600 0.600 peak 15515 weight 0.10000E+01 volume 0.11386E-01 ppm1 0.987 ppm2 3.675 CV 1 ASSI {15516} (( segid " " and resid 53 and name HB )) ( segid " " and resid 53 and name HD1%) 2.800 1.000 1.000 peak 15516 weight 0.10000E+01 volume 0.82289E-02 ppm1 0.987 ppm2 1.792 CV 1 ASSI {15518} (( segid " " and resid 53 and name HG12)) ( segid " " and resid 53 and name HD1%) 1.800 0.400 0.400 peak 15518 weight 0.10000E+01 volume 0.30943E-01 ppm1 0.987 ppm2 1.236 CV 1 OR {15518} (( segid " " and resid 53 and name HG11)) ( segid " " and resid 53 and name HD1%) ASSI {15589} (( segid " " and resid 124 and name HB )) (( segid " " and resid 112 and name HA )) 4.300 2.300 1.700 peak 15589 weight 0.10000E+01 volume 0.80431E-03 ppm1 4.855 ppm2 2.427 CV 1 ASSI {15591} (( segid " " and resid 112 and name HB )) (( segid " " and resid 112 and name HA )) 3.000 1.100 1.100 peak 15591 weight 0.10000E+01 volume 0.13707E-02 ppm1 4.849 ppm2 1.913 CV 1 ASSI {15602} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.800 1.800 1.800 peak 15602 weight 0.10000E+01 volume 0.88370E-03 ppm1 4.551 ppm2 3.486 CV 1 ASSI {15603} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.000 1.100 1.100 peak 15603 weight 0.10000E+01 volume 0.49350E-02 ppm1 4.551 ppm2 2.422 CV 1 ASSI {15606} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HA )) 3.200 1.300 1.300 peak 15606 weight 0.10000E+01 volume 0.81550E-02 ppm1 4.552 ppm2 1.959 CV 1 ASSI {15607} ( segid " " and resid 49 and name HG1%) (( segid " " and resid 48 and name HA )) 3.400 1.400 1.400 peak 15607 weight 0.10000E+01 volume 0.20442E-02 ppm1 4.552 ppm2 1.012 CV 1 ASSI {15661} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HB1 )) 3.000 1.100 1.100 peak 15661 weight 0.10000E+01 volume 0.19178E-02 ppm1 2.938 ppm2 8.114 CV 1 ASSI {15663} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HB1 )) 2.000 0.500 0.500 peak 15663 weight 0.10000E+01 volume 0.59600E-02 ppm1 2.938 ppm2 2.583 CV 1 ASSI {15666} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HB2 )) 2.600 0.900 0.900 peak 15666 weight 0.10000E+01 volume 0.18796E-02 ppm1 2.586 ppm2 8.114 CV 1 ASSI {15669} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) 2.500 0.800 0.800 peak 15669 weight 0.10000E+01 volume 0.20537E-02 ppm1 2.585 ppm2 4.343 CV 1 ASSI {15675} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 67 and name HB1 )) 3.100 1.200 1.200 peak 15675 weight 0.10000E+01 volume 0.15674E-02 ppm1 1.649 ppm2 0.986 CV 1 OR {15675} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 67 and name HB2 )) ASSI {15698} (( segid " " and resid 79 and name HB )) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 15698 weight 0.10000E+01 volume 0.22269E-02 ppm1 4.701 ppm2 4.492 CV 1 ASSI {15747} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HG1 )) 5.100 3.300 0.900 peak 15747 weight 0.10000E+01 volume 0.58999E-03 ppm1 2.299 ppm2 4.426 CV 1 OR {15747} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HG2 )) ASSI {15749} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HG1 )) 3.800 1.800 1.800 peak 15749 weight 0.10000E+01 volume 0.16412E-02 ppm1 2.285 ppm2 7.873 CV 1 OR {15749} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HG2 )) ASSI {15751} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG2 )) 2.600 0.800 0.800 peak 15751 weight 0.10000E+01 volume 0.55649E-02 ppm1 2.284 ppm2 4.046 CV 1 OR {15751} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG1 )) ASSI {15752} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HG2 )) 2.300 0.700 0.700 peak 15752 weight 0.10000E+01 volume 0.98787E-02 ppm1 2.288 ppm2 1.927 CV 1 OR {15752} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HG1 )) ASSI {15753} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HG1 )) 4.300 2.300 1.700 peak 15753 weight 0.10000E+01 volume 0.16723E-02 ppm1 2.285 ppm2 1.729 CV 1 OR {15753} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG1 )) OR {15753} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HG2 )) OR {15753} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HG2 )) ASSI {15754} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HG2 )) 4.800 2.900 1.200 peak 15754 weight 0.10000E+01 volume 0.12850E-02 ppm1 2.287 ppm2 1.600 CV 1 OR {15754} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HG1 )) OR {15754} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 15 and name HG2 )) OR {15754} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 15 and name HG1 )) ASSI {15755} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 15 and name HG1 )) 4.400 2.400 1.600 peak 15755 weight 0.10000E+01 volume 0.98598E-03 ppm1 2.283 ppm2 1.360 CV 1 OR {15755} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 15 and name HG2 )) ASSI {15785} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 15785 weight 0.10000E+01 volume 0.28460E-02 ppm1 2.954 ppm2 4.328 CV 1 ASSI {15788} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HG1 )) 4.100 2.100 1.900 peak 15788 weight 0.10000E+01 volume 0.77352E-03 ppm1 2.283 ppm2 3.880 CV 1 OR {15788} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HG1 )) OR {15788} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 15 and name HG2 )) OR {15788} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HG2 )) ASSI {15791} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 15 and name HG1 )) 4.400 2.400 1.600 peak 15791 weight 0.10000E+01 volume 0.94933E-03 ppm1 2.279 ppm2 1.503 CV 1 OR {15791} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 15 and name HG1 )) OR {15791} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 15 and name HG2 )) OR {15791} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 15 and name HG2 )) ASSI {15792} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 89 and name HG1 )) 3.100 1.200 1.200 peak 15792 weight 0.10000E+01 volume 0.23657E-02 ppm1 1.930 ppm2 2.280 CV 1 OR {15792} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 89 and name HG2 )) OR {15792} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 89 and name HG1 )) OR {15792} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 89 and name HG2 )) ASSI {15834} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 85 and name HB1 )) 2.900 1.000 1.000 peak 15834 weight 0.10000E+01 volume 0.22820E-02 ppm1 3.167 ppm2 6.464 CV 1 ASSI {15840} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 85 and name HB2 )) 2.800 1.000 1.000 peak 15840 weight 0.10000E+01 volume 0.22863E-02 ppm1 2.965 ppm2 6.463 CV 1 ASSI {15841} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HB2 )) 1.900 0.400 0.400 peak 15841 weight 0.10000E+01 volume 0.65942E-02 ppm1 2.964 ppm2 3.164 CV 1 ASSI {15842} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 85 and name HB2 )) 3.000 1.100 1.100 peak 15842 weight 0.10000E+01 volume 0.13404E-02 ppm1 2.962 ppm2 1.708 CV 1 ASSI {15847} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB )) 2.600 0.800 0.800 peak 15847 weight 0.10000E+01 volume 0.47361E-02 ppm1 2.004 ppm2 7.867 CV 1 ASSI {15848} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB )) 4.700 2.800 1.300 peak 15848 weight 0.10000E+01 volume 0.61266E-03 ppm1 2.006 ppm2 7.676 CV 1 ASSI {15851} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB )) 3.000 1.100 1.100 peak 15851 weight 0.10000E+01 volume 0.15890E-02 ppm1 2.005 ppm2 3.478 CV 1 ASSI {15854} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 16 and name HB )) 2.500 0.800 0.800 peak 15854 weight 0.10000E+01 volume 0.20430E-02 ppm1 2.002 ppm2 1.199 CV 1 ASSI {15855} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 2.200 0.600 0.600 peak 15855 weight 0.10000E+01 volume 0.53291E-02 ppm1 2.007 ppm2 0.623 CV 1 ASSI {15857} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 140 and name HB )) 4.800 2.900 1.200 peak 15857 weight 0.10000E+01 volume 0.70905E-03 ppm1 1.809 ppm2 1.976 CV 1 ASSI {15863} (( segid " " and resid 119 and name HA )) (( segid " " and resid 140 and name HB )) 4.300 2.300 1.700 peak 15863 weight 0.10000E+01 volume 0.11981E-02 ppm1 1.792 ppm2 4.724 CV 1 ASSI {15865} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB )) 3.200 1.200 1.200 peak 15865 weight 0.10000E+01 volume 0.11307E-02 ppm1 1.792 ppm2 4.234 CV 1 ASSI {15866} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 140 and name HB )) 4.800 2.900 1.200 peak 15866 weight 0.10000E+01 volume 0.56153E-03 ppm1 1.792 ppm2 4.053 CV 1 ASSI {15870} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 140 and name HB )) 2.100 0.600 0.600 peak 15870 weight 0.10000E+01 volume 0.85148E-02 ppm1 1.792 ppm2 0.974 CV 1 ASSI {15871} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 140 and name HB )) 2.300 0.700 0.700 peak 15871 weight 0.10000E+01 volume 0.33523E-02 ppm1 1.793 ppm2 0.583 CV 1 ASSI {15873} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 67 and name HB1 )) 3.700 1.700 1.700 peak 15873 weight 0.10000E+01 volume 0.11426E-02 ppm1 1.632 ppm2 2.872 CV 1 OR {15873} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 67 and name HB2 )) ASSI {15882} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 1.900 0.400 0.400 peak 15882 weight 0.10000E+01 volume 0.68945E-02 ppm1 4.913 ppm2 8.207 CV 1 ASSI {15883} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HA )) 4.100 2.100 1.900 peak 15883 weight 0.10000E+01 volume 0.75898E-03 ppm1 4.914 ppm2 6.059 CV 1 ASSI {15884} (( segid " " and resid 136 and name HA )) (( segid " " and resid 39 and name HA )) 1.800 0.400 0.400 peak 15884 weight 0.10000E+01 volume 0.46271E-02 ppm1 4.913 ppm2 5.681 CV 1 ASSI {15885} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 39 and name HA )) 4.300 2.300 1.700 peak 15885 weight 0.10000E+01 volume 0.78742E-03 ppm1 4.914 ppm2 0.540 CV 1 OR {15885} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 39 and name HA )) ASSI {15887} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 15887 weight 0.10000E+01 volume 0.18195E-02 ppm1 4.912 ppm2 8.682 CV 1 ASSI {15889} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HA )) 2.300 0.700 0.700 peak 15889 weight 0.10000E+01 volume 0.33976E-02 ppm1 4.912 ppm2 1.951 CV 1 ASSI {15959} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 85 and name HB1 )) 3.700 1.700 1.700 peak 15959 weight 0.10000E+01 volume 0.11163E-02 ppm1 3.169 ppm2 1.707 CV 1 ASSI {15961} (( segid " " and resid 12 and name HN )) (( segid " " and resid 16 and name HB )) 4.800 2.900 1.200 peak 15961 weight 0.10000E+01 volume 0.67504E-03 ppm1 2.001 ppm2 8.698 CV 1 ASSI {15962} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HB )) 4.300 2.300 1.700 peak 15962 weight 0.10000E+01 volume 0.66971E-03 ppm1 2.004 ppm2 8.446 CV 1 ASSI {15963} (( segid " " and resid 106 and name HN )) (( segid " " and resid 16 and name HB )) 4.400 2.400 1.600 peak 15963 weight 0.10000E+01 volume 0.62567E-03 ppm1 1.999 ppm2 7.253 CV 1 ASSI {15968} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 16 and name HB )) 2.400 0.700 0.700 peak 15968 weight 0.10000E+01 volume 0.56381E-02 ppm1 2.002 ppm2 0.795 CV 1 ASSI {15970} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 89 and name HG2 )) 4.800 2.900 1.200 peak 15970 weight 0.10000E+01 volume 0.63109E-03 ppm1 1.948 ppm2 6.463 CV 1 OR {15970} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 89 and name HG1 )) ASSI {15971} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HG2 )) 2.600 0.800 0.800 peak 15971 weight 0.10000E+01 volume 0.47118E-02 ppm1 1.948 ppm2 1.718 CV 1 OR {15971} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HG1 )) ASSI {15982} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB2 )) 4.100 2.100 1.900 peak 15982 weight 0.10000E+01 volume 0.58638E-03 ppm1 1.635 ppm2 5.609 CV 1 OR {15982} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB1 )) ASSI {15986} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB1 )) 3.700 1.700 1.700 peak 15986 weight 0.10000E+01 volume 0.12276E-02 ppm1 1.622 ppm2 4.736 CV 1 OR {15986} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI {15991} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HB1 )) 3.800 1.800 1.800 peak 15991 weight 0.10000E+01 volume 0.10216E-02 ppm1 1.612 ppm2 0.768 CV 1 OR {15991} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HB2 )) ASSI {16125} (( segid " " and resid 138 and name HB )) ( segid " " and resid 75 and name HE% ) 3.400 1.500 1.500 peak 16125 weight 0.10000E+01 volume 0.22497E-02 ppm1 7.320 ppm2 3.821 CV 1 ASSI {16126} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 75 and name HE% ) 5.000 3.200 1.000 peak 16126 weight 0.10000E+01 volume 0.68573E-03 ppm1 7.317 ppm2 3.440 CV 1 ASSI {16132} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 75 and name HE% ) 3.600 1.600 1.600 peak 16132 weight 0.10000E+01 volume 0.99939E-03 ppm1 7.318 ppm2 0.839 CV 1 OR {16132} ( segid " " and resid 124 and name HG1%) ( segid " " and resid 75 and name HE% ) ASSI {16134} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 75 and name HE% ) 3.500 1.500 1.500 peak 16134 weight 0.10000E+01 volume 0.17288E-02 ppm1 7.320 ppm2 0.493 CV 1 ASSI {16135} ( segid " " and resid 136 and name HD1%) ( segid " " and resid 75 and name HE% ) 2.700 0.900 0.900 peak 16135 weight 0.10000E+01 volume 0.24650E-02 ppm1 7.321 ppm2 0.335 CV 1 ASSI {16142} (( segid " " and resid 123 and name HB1 )) ( segid " " and resid 123 and name HD% ) 2.900 1.100 1.100 peak 16142 weight 0.10000E+01 volume 0.25558E-02 ppm1 6.668 ppm2 2.646 CV 1 ASSI {16177} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG1 )) 3.700 1.700 1.700 peak 16177 weight 0.10000E+01 volume 0.10228E-02 ppm1 2.233 ppm2 9.110 CV 1 ASSI {16208} (( segid " " and resid 38 and name HN )) ( segid " " and resid 75 and name HE% ) 4.500 2.600 1.500 peak 16208 weight 0.10000E+01 volume 0.91042E-03 ppm1 7.319 ppm2 9.229 CV 1 ASSI {16209} (( segid " " and resid 37 and name HA )) ( segid " " and resid 75 and name HE% ) 3.700 1.700 1.700 peak 16209 weight 0.10000E+01 volume 0.18471E-02 ppm1 7.320 ppm2 5.883 CV 1 ASSI {16219} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 123 and name HD% ) 4.300 2.400 1.700 peak 16219 weight 0.10000E+01 volume 0.83054E-03 ppm1 6.664 ppm2 6.925 CV 1 ASSI {16221} ( segid " " and resid 123 and name HE% ) ( segid " " and resid 123 and name HD% ) 2.300 0.600 0.600 peak 16221 weight 0.10000E+01 volume 0.84884E-02 ppm1 6.668 ppm2 6.527 CV 1 ASSI {16223} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 123 and name HD% ) 3.800 1.800 1.800 peak 16223 weight 0.10000E+01 volume 0.11838E-02 ppm1 6.668 ppm2 5.961 CV 1 ASSI {16224} (( segid " " and resid 123 and name HA )) ( segid " " and resid 123 and name HD% ) 2.800 0.900 0.900 peak 16224 weight 0.10000E+01 volume 0.19138E-02 ppm1 6.666 ppm2 4.715 CV 1 ASSI {16225} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 123 and name HD% ) 3.800 1.800 1.800 peak 16225 weight 0.10000E+01 volume 0.58848E-03 ppm1 6.668 ppm2 3.038 CV 1 ASSI {16226} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HD% ) 2.600 0.800 0.800 peak 16226 weight 0.10000E+01 volume 0.26190E-02 ppm1 6.668 ppm2 2.788 CV 1 ASSI {16227} (( segid " " and resid 115 and name HG )) ( segid " " and resid 123 and name HD% ) 4.200 2.200 1.800 peak 16227 weight 0.10000E+01 volume 0.87774E-03 ppm1 6.668 ppm2 1.664 CV 1 OR {16227} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 123 and name HD% ) OR {16227} (( segid " " and resid 115 and name HB1 )) ( segid " " and resid 123 and name HD% ) ASSI {16263} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG1 )) 3.600 1.700 1.700 peak 16263 weight 0.10000E+01 volume 0.20994E-02 ppm1 2.382 ppm2 8.478 CV 1 ASSI {16266} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG1 )) 3.300 1.400 1.400 peak 16266 weight 0.10000E+01 volume 0.38263E-02 ppm1 2.382 ppm2 4.456 CV 1 ASSI {16272} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 140 and name HB )) 4.200 2.200 1.800 peak 16272 weight 0.10000E+01 volume 0.63102E-03 ppm1 1.798 ppm2 2.408 CV 1 OR {16272} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 140 and name HB )) ASSI {16274} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 140 and name HB )) 3.900 1.900 1.900 peak 16274 weight 0.10000E+01 volume 0.77009E-03 ppm1 1.793 ppm2 2.034 CV 1 ASSI {16276} (( segid " " and resid 115 and name HN )) (( segid " " and resid 122 and name HA )) 4.300 2.300 1.700 peak 16276 weight 0.10000E+01 volume 0.97343E-03 ppm1 4.825 ppm2 9.345 CV 1 ASSI {16281} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 16281 weight 0.10000E+01 volume 0.28555E-02 ppm1 4.824 ppm2 0.568 CV 1 ASSI {16282} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 16282 weight 0.10000E+01 volume 0.29069E-02 ppm1 4.823 ppm2 0.136 CV 1 ASSI {16327} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD% ) 3.400 1.400 1.400 peak 16327 weight 0.10000E+01 volume 0.37147E-02 ppm1 7.665 ppm2 7.495 CV 1 ASSI {16328} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 75 and name HD% ) 1.900 0.400 0.400 peak 16328 weight 0.10000E+01 volume 0.19126E-01 ppm1 7.665 ppm2 7.312 CV 1 ASSI {16330} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 75 and name HD% ) 4.000 2.000 2.000 peak 16330 weight 0.10000E+01 volume 0.59506E-03 ppm1 7.664 ppm2 6.747 CV 1 ASSI {16332} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 16332 weight 0.10000E+01 volume 0.10590E-02 ppm1 7.665 ppm2 2.850 CV 1 ASSI {16408} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG2 )) 3.300 1.300 1.300 peak 16408 weight 0.10000E+01 volume 0.16000E-02 ppm1 2.559 ppm2 8.692 CV 1 OR {16408} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG1 )) ASSI {16409} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG2 )) 4.600 2.700 1.400 peak 16409 weight 0.10000E+01 volume 0.10779E-02 ppm1 2.559 ppm2 8.544 CV 1 OR {16409} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG1 )) ASSI {16410} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HG2 )) 2.900 1.100 1.100 peak 16410 weight 0.10000E+01 volume 0.29858E-02 ppm1 2.559 ppm2 4.664 CV 1 OR {16410} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HG1 )) ASSI {16411} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HG2 )) 3.800 1.800 1.800 peak 16411 weight 0.10000E+01 volume 0.56933E-03 ppm1 2.560 ppm2 4.326 CV 1 OR {16411} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HG1 )) ASSI {16414} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG1 )) 2.200 0.600 0.600 peak 16414 weight 0.10000E+01 volume 0.65873E-02 ppm1 2.558 ppm2 2.141 CV 1 OR {16414} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG2 )) ASSI {16417} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HG2 )) 3.400 1.400 1.400 peak 16417 weight 0.10000E+01 volume 0.31186E-02 ppm1 2.214 ppm2 3.653 CV 1 ASSI {16420} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HG1 )) 1.400 0.300 0.800 peak 16420 weight 0.10000E+01 volume 0.53563E-01 ppm1 2.060 ppm2 2.212 CV 1 ASSI {16422} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HG1 )) 3.200 1.300 1.300 peak 16422 weight 0.10000E+01 volume 0.34982E-02 ppm1 2.058 ppm2 3.653 CV 1 ASSI {16429} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 12 and name HA )) 2.700 0.900 0.900 peak 16429 weight 0.10000E+01 volume 0.22864E-02 ppm1 4.667 ppm2 2.052 CV 1 ASSI {16450} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD% ) 2.800 1.000 1.000 peak 16450 weight 0.10000E+01 volume 0.18847E-02 ppm1 7.664 ppm2 4.369 CV 1 ASSI {16452} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD% ) 2.900 1.100 1.100 peak 16452 weight 0.10000E+01 volume 0.23567E-02 ppm1 7.664 ppm2 3.531 CV 1 ASSI {16454} (( segid " " and resid 71 and name HG12)) ( segid " " and resid 75 and name HD% ) 3.400 1.500 1.500 peak 16454 weight 0.10000E+01 volume 0.19122E-02 ppm1 7.664 ppm2 1.591 CV 1 ASSI {16491} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) 2.900 1.000 1.000 peak 16491 weight 0.10000E+01 volume 0.22428E-02 ppm1 2.210 ppm2 8.331 CV 1 ASSI {16493} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) 3.200 1.200 1.200 peak 16493 weight 0.10000E+01 volume 0.25339E-02 ppm1 2.069 ppm2 4.705 CV 1 ASSI {16505} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 122 and name HA )) 4.100 2.100 1.900 peak 16505 weight 0.10000E+01 volume 0.57366E-03 ppm1 4.819 ppm2 1.661 CV 1 OR {16505} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 122 and name HA )) ASSI {16530} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 75 and name HD% ) 3.200 1.300 1.300 peak 16530 weight 0.10000E+01 volume 0.11732E-02 ppm1 7.665 ppm2 6.534 CV 1 ASSI {16566} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.400 0.700 0.700 peak 16566 weight 0.10000E+01 volume 0.37137E-02 ppm1 4.238 ppm2 8.773 CV 1 ASSI {16571} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 16571 weight 0.10000E+01 volume 0.29512E-02 ppm1 3.651 ppm2 8.373 CV 1 ASSI {16578} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 16578 weight 0.10000E+01 volume 0.21261E-02 ppm1 3.651 ppm2 2.214 CV 1 ASSI {16579} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 16579 weight 0.10000E+01 volume 0.41672E-02 ppm1 3.651 ppm2 2.049 CV 1 ASSI {16580} (( segid " " and resid 53 and name HB )) (( segid " " and resid 53 and name HA )) 2.400 0.700 0.700 peak 16580 weight 0.10000E+01 volume 0.62815E-02 ppm1 3.651 ppm2 1.805 CV 1 ASSI {16581} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 53 and name HA )) 4.000 2.000 2.000 peak 16581 weight 0.10000E+01 volume 0.14170E-02 ppm1 3.650 ppm2 1.336 CV 1 ASSI {16583} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 53 and name HA )) 4.000 2.000 2.000 peak 16583 weight 0.10000E+01 volume 0.27969E-02 ppm1 3.649 ppm2 1.552 CV 1 OR {16583} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HA )) ASSI {16624} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name HG2 )) 4.300 2.300 1.700 peak 16624 weight 0.10000E+01 volume 0.10163E-02 ppm1 2.322 ppm2 2.700 CV 1 OR {16624} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name HG1 )) OR {16624} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 88 and name HG2 )) OR {16624} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 88 and name HG1 )) ASSI {16628} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 88 and name HG1 )) 3.500 1.500 1.500 peak 16628 weight 0.10000E+01 volume 0.16162E-02 ppm1 2.325 ppm2 1.169 CV 1 ASSI {16630} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 38 and name HG1 )) 4.000 2.000 2.000 peak 16630 weight 0.10000E+01 volume 0.20480E-02 ppm1 2.320 ppm2 1.552 CV 1 OR {16630} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 38 and name HG2 )) ASSI {16642} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 138 and name HA )) 4.300 2.300 1.700 peak 16642 weight 0.10000E+01 volume 0.80063E-03 ppm1 4.671 ppm2 1.158 CV 1 OR {16642} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 138 and name HA )) ASSI {16647} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 3.000 1.200 1.200 peak 16647 weight 0.10000E+01 volume 0.13081E-02 ppm1 4.239 ppm2 8.344 CV 1 ASSI {16648} (( segid " " and resid 141 and name HA )) (( segid " " and resid 140 and name HA )) 4.000 2.000 2.000 peak 16648 weight 0.10000E+01 volume 0.57404E-03 ppm1 4.239 ppm2 4.989 CV 1 ASSI {16651} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 140 and name HA )) 2.500 0.800 0.800 peak 16651 weight 0.10000E+01 volume 0.47558E-02 ppm1 4.240 ppm2 0.975 CV 1 ASSI {16652} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 140 and name HA )) 4.600 2.600 1.400 peak 16652 weight 0.10000E+01 volume 0.60404E-03 ppm1 4.240 ppm2 0.611 CV 1 ASSI {16684} (( segid " " and resid 109 and name HN )) (( segid " " and resid 101 and name HG2 )) 4.400 2.400 1.600 peak 16684 weight 0.10000E+01 volume 0.11189E-02 ppm1 2.384 ppm2 9.220 CV 1 OR {16684} (( segid " " and resid 109 and name HN )) (( segid " " and resid 101 and name HG1 )) ASSI {16707} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 105 and name HA )) 4.300 2.300 1.700 peak 16707 weight 0.10000E+01 volume 0.13241E-02 ppm1 4.338 ppm2 2.176 CV 1 OR {16707} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 105 and name HA )) ASSI {16709} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 140 and name HA )) 3.900 1.900 1.900 peak 16709 weight 0.10000E+01 volume 0.11283E-02 ppm1 4.252 ppm2 2.186 CV 1 ASSI {16711} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 140 and name HA )) 4.100 2.100 1.900 peak 16711 weight 0.10000E+01 volume 0.96414E-03 ppm1 4.235 ppm2 4.040 CV 1 ASSI {16766} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 88 and name HG1 )) 4.600 2.700 1.400 peak 16766 weight 0.10000E+01 volume 0.72963E-03 ppm1 2.313 ppm2 0.823 CV 1 OR {16766} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 88 and name HG2 )) ASSI {16768} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HG1 )) 4.200 2.200 1.800 peak 16768 weight 0.10000E+01 volume 0.13990E-02 ppm1 2.192 ppm2 8.221 CV 1 ASSI {16769} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 117 and name HG2 )) 4.200 2.200 1.800 peak 16769 weight 0.10000E+01 volume 0.11209E-02 ppm1 2.198 ppm2 4.952 CV 1 ASSI {16770} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HG1 )) 3.100 1.200 1.200 peak 16770 weight 0.10000E+01 volume 0.52490E-02 ppm1 2.197 ppm2 4.620 CV 1 ASSI {16771} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 117 and name HG2 )) 4.500 2.500 1.500 peak 16771 weight 0.10000E+01 volume 0.70675E-03 ppm1 2.199 ppm2 3.758 CV 1 ASSI {16776} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 142 and name HG1 )) 3.400 1.500 1.500 peak 16776 weight 0.10000E+01 volume 0.21604E-02 ppm1 2.198 ppm2 0.449 CV 1 ASSI {16777} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 34 and name HG1 )) 4.000 2.000 2.000 peak 16777 weight 0.10000E+01 volume 0.55976E-03 ppm1 2.069 ppm2 2.519 CV 1 OR {16777} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 34 and name HG2 )) OR {16777} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 34 and name HG2 )) ASSI {16830} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.600 0.900 0.900 peak 16830 weight 0.10000E+01 volume 0.33241E-02 ppm1 4.368 ppm2 7.760 CV 1 ASSI {16832} ( segid " " and resid 74 and name HE% ) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 16832 weight 0.10000E+01 volume 0.84406E-03 ppm1 4.370 ppm2 6.374 CV 1 ASSI {16833} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 16833 weight 0.10000E+01 volume 0.47331E-02 ppm1 4.367 ppm2 3.529 CV 1 ASSI {16834} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HA )) 2.400 0.700 0.700 peak 16834 weight 0.10000E+01 volume 0.39243E-02 ppm1 4.368 ppm2 3.080 CV 1 ASSI {16882} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG2 )) 3.200 1.300 1.300 peak 16882 weight 0.10000E+01 volume 0.20320E-02 ppm1 2.197 ppm2 8.045 CV 1 ASSI {16883} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HG2 )) 2.800 1.000 1.000 peak 16883 weight 0.10000E+01 volume 0.49916E-02 ppm1 2.199 ppm2 4.352 CV 1 ASSI {16884} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 117 and name HG2 )) 4.300 2.300 1.700 peak 16884 weight 0.10000E+01 volume 0.80467E-03 ppm1 2.198 ppm2 3.472 CV 1 ASSI {16887} (( segid " " and resid 66 and name HN )) (( segid " " and resid 117 and name HG1 )) 4.000 2.000 2.000 peak 16887 weight 0.10000E+01 volume 0.15010E-02 ppm1 2.136 ppm2 8.110 CV 1 ASSI {16938} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 16938 weight 0.10000E+01 volume 0.12772E-02 ppm1 4.831 ppm2 8.863 CV 1 ASSI {16939} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 125 and name HA )) 4.100 2.100 1.900 peak 16939 weight 0.10000E+01 volume 0.11495E-02 ppm1 4.831 ppm2 6.527 CV 1 ASSI {16941} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 16941 weight 0.10000E+01 volume 0.74954E-03 ppm1 4.833 ppm2 2.901 CV 1 ASSI {16948} (( segid " " and resid 37 and name HA )) (( segid " " and resid 138 and name HA )) 3.600 1.600 1.600 peak 16948 weight 0.10000E+01 volume 0.69014E-03 ppm1 4.658 ppm2 5.878 CV 1 ASSI {16959} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 75 and name HA )) 3.300 1.300 1.300 peak 16959 weight 0.10000E+01 volume 0.12440E-02 ppm1 4.369 ppm2 6.758 CV 1 ASSI {16960} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 75 and name HA )) 3.800 1.800 1.800 peak 16960 weight 0.10000E+01 volume 0.88168E-03 ppm1 4.370 ppm2 6.528 CV 1 ASSI {17019} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 117 and name HG1 )) 3.800 1.800 1.800 peak 17019 weight 0.10000E+01 volume 0.24364E-02 ppm1 2.166 ppm2 4.124 CV 1 ASSI {17023} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 142 and name HG2 )) 1.700 0.400 0.500 peak 17023 weight 0.10000E+01 volume 0.33728E-01 ppm1 2.162 ppm2 2.355 CV 1 ASSI {17041} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 17041 weight 0.10000E+01 volume 0.23684E-02 ppm1 4.830 ppm2 1.677 CV 1 ASSI {17043} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HA )) 3.500 1.600 1.600 peak 17043 weight 0.10000E+01 volume 0.16571E-02 ppm1 4.831 ppm2 0.648 CV 1 ASSI {17063} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 88 and name HA )) 3.000 1.200 1.200 peak 17063 weight 0.10000E+01 volume 0.59024E-02 ppm1 4.070 ppm2 2.324 CV 1 OR {17063} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HA )) ASSI {17123} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 128 and name HA )) 2.500 0.800 0.800 peak 17123 weight 0.10000E+01 volume 0.52831E-02 ppm1 4.775 ppm2 4.044 CV 1 OR {17123} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 128 and name HA )) ASSI {17139} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 17139 weight 0.10000E+01 volume 0.35957E-02 ppm1 3.743 ppm2 8.591 CV 1 ASSI {17141} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 17141 weight 0.10000E+01 volume 0.26605E-02 ppm1 3.742 ppm2 1.479 CV 1 OR {17141} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 21 and name HA )) ASSI {17142} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 17142 weight 0.10000E+01 volume 0.56670E-02 ppm1 3.742 ppm2 0.831 CV 1 ASSI {17143} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HA )) 3.400 1.500 1.500 peak 17143 weight 0.10000E+01 volume 0.15141E-02 ppm1 3.740 ppm2 4.042 CV 1 ASSI {17162} ( segid " " and resid 115 and name HD2%) ( segid " " and resid 66 and name HD% ) 4.000 2.000 2.000 peak 17162 weight 0.10000E+01 volume 0.16314E-02 ppm1 6.999 ppm2 0.718 CV 1 ASSI {17177} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 101 and name HG1 )) 3.100 1.200 1.200 peak 17177 weight 0.10000E+01 volume 0.44654E-02 ppm1 2.393 ppm2 2.561 CV 1 OR {17177} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 101 and name HG2 )) ASSI {17195} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HA )) 2.100 0.600 0.600 peak 17195 weight 0.10000E+01 volume 0.80301E-02 ppm1 3.986 ppm2 1.831 CV 1 ASSI {17201} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.300 0.700 0.700 peak 17201 weight 0.10000E+01 volume 0.35468E-02 ppm1 3.879 ppm2 7.827 CV 1 ASSI {17206} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HA )) 2.100 0.500 0.500 peak 17206 weight 0.10000E+01 volume 0.79666E-02 ppm1 3.880 ppm2 1.977 CV 1 OR {17206} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 89 and name HA )) ASSI {17207} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HA )) 2.200 0.600 0.600 peak 17207 weight 0.10000E+01 volume 0.38066E-02 ppm1 3.879 ppm2 1.708 CV 1 ASSI {17208} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 89 and name HA )) 2.800 1.000 1.000 peak 17208 weight 0.10000E+01 volume 0.32090E-02 ppm1 3.883 ppm2 1.170 CV 1 ASSI {17209} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HA )) 2.400 0.700 0.700 peak 17209 weight 0.10000E+01 volume 0.49598E-02 ppm1 3.880 ppm2 0.773 CV 1 ASSI {17233} (( segid " " and resid 137 and name HN )) ( segid " " and resid 40 and name HD% ) 4.500 2.500 1.500 peak 17233 weight 0.10000E+01 volume 0.56698E-03 ppm1 6.064 ppm2 10.012 CV 1 ASSI {17242} (( segid " " and resid 22 and name HE21)) (( segid " " and resid 18 and name HG1 )) 5.100 3.200 0.900 peak 17242 weight 0.10000E+01 volume 0.58507E-03 ppm1 2.296 ppm2 6.737 CV 1 ASSI {17244} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 18 and name HG1 )) 3.900 1.900 1.900 peak 17244 weight 0.10000E+01 volume 0.18845E-02 ppm1 2.298 ppm2 2.562 CV 1 OR {17244} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 18 and name HG2 )) ASSI {17246} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HG2 )) 1.900 0.500 0.500 peak 17246 weight 0.10000E+01 volume 0.31828E-01 ppm1 2.299 ppm2 2.107 CV 1 OR {17246} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HG1 )) OR {17246} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HG2 )) OR {17246} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HG1 )) ASSI {17250} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 18 and name HG1 )) 4.600 2.700 1.400 peak 17250 weight 0.10000E+01 volume 0.66201E-03 ppm1 2.297 ppm2 0.811 CV 1 OR {17250} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 18 and name HG2 )) ASSI {17251} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 18 and name HG1 )) 3.500 1.600 1.600 peak 17251 weight 0.10000E+01 volume 0.77700E-03 ppm1 2.293 ppm2 7.570 CV 1 ASSI {17292} (( segid " " and resid 42 and name HE1 )) ( segid " " and resid 40 and name HD% ) 3.700 1.700 1.700 peak 17292 weight 0.10000E+01 volume 0.70368E-03 ppm1 6.064 ppm2 9.833 CV 1 ASSI {17297} ( segid " " and resid 123 and name HD% ) ( segid " " and resid 40 and name HD% ) 4.900 3.000 1.100 peak 17297 weight 0.10000E+01 volume 0.58134E-03 ppm1 6.062 ppm2 6.667 CV 1 ASSI {17300} (( segid " " and resid 136 and name HA )) ( segid " " and resid 40 and name HD% ) 4.600 2.600 1.400 peak 17300 weight 0.10000E+01 volume 0.99678E-03 ppm1 6.063 ppm2 5.688 CV 1 ASSI {17304} (( segid " " and resid 41 and name HA )) ( segid " " and resid 40 and name HD% ) 4.300 2.300 1.700 peak 17304 weight 0.10000E+01 volume 0.86870E-03 ppm1 6.061 ppm2 4.430 CV 1 ASSI {17320} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB )) 4.400 2.400 1.600 peak 17320 weight 0.10000E+01 volume 0.12048E-02 ppm1 1.978 ppm2 4.743 CV 1 ASSI {17340} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 17340 weight 0.10000E+01 volume 0.30285E-02 ppm1 3.938 ppm2 2.701 CV 1 ASSI {17341} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 17341 weight 0.10000E+01 volume 0.43230E-02 ppm1 3.937 ppm2 2.486 CV 1 ASSI {17382} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB )) 3.200 1.200 1.200 peak 17382 weight 0.10000E+01 volume 0.17635E-02 ppm1 1.983 ppm2 9.228 CV 1 ASSI {17386} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB )) 2.500 0.800 0.800 peak 17386 weight 0.10000E+01 volume 0.56306E-02 ppm1 1.983 ppm2 4.592 CV 1 ASSI {17392} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HB )) 2.300 0.600 0.600 peak 17392 weight 0.10000E+01 volume 0.54320E-02 ppm1 1.985 ppm2 0.972 CV 1 ASSI {17393} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 69 and name HB )) 4.000 2.000 2.000 peak 17393 weight 0.10000E+01 volume 0.11702E-02 ppm1 1.985 ppm2 0.609 CV 1 ASSI {17394} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 69 and name HB )) 2.900 1.000 1.000 peak 17394 weight 0.10000E+01 volume 0.12650E-02 ppm1 1.984 ppm2 -0.230 CV 1 ASSI {17396} (( segid " " and resid 112 and name HB )) (( segid " " and resid 69 and name HB )) 1.500 0.300 0.700 peak 17396 weight 0.10000E+01 volume 0.36187E-01 ppm1 1.977 ppm2 1.910 CV 1 ASSI {17419} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 128 and name HA )) 4.900 3.000 1.100 peak 17419 weight 0.10000E+01 volume 0.65740E-03 ppm1 4.800 ppm2 2.252 CV 1 ASSI {17420} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 128 and name HA )) 4.100 2.100 1.900 peak 17420 weight 0.10000E+01 volume 0.61167E-03 ppm1 4.798 ppm2 2.165 CV 1 ASSI {17435} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) 2.000 0.500 0.500 peak 17435 weight 0.10000E+01 volume 0.15268E-01 ppm1 3.948 ppm2 2.154 CV 1 OR {17435} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HA )) ASSI {17509} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HB )) 3.900 1.900 1.900 peak 17509 weight 0.10000E+01 volume 0.13377E-02 ppm1 1.977 ppm2 1.597 CV 1 OR {17509} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HB )) ASSI {17539} (( segid " " and resid 11 and name HN )) (( segid " " and resid 128 and name HA )) 4.100 2.100 1.900 peak 17539 weight 0.10000E+01 volume 0.15178E-02 ppm1 4.804 ppm2 8.200 CV 1 ASSI {17548} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HA )) 3.400 1.400 1.400 peak 17548 weight 0.10000E+01 volume 0.15151E-02 ppm1 4.589 ppm2 4.894 CV 1 ASSI {17550} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HA )) 4.100 2.100 1.900 peak 17550 weight 0.10000E+01 volume 0.13141E-02 ppm1 4.595 ppm2 3.994 CV 1 OR {17550} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI {17615} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HG2 )) 3.400 1.500 1.500 peak 17615 weight 0.10000E+01 volume 0.11074E-02 ppm1 2.304 ppm2 8.608 CV 1 ASSI {17658} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 17658 weight 0.10000E+01 volume 0.36678E-02 ppm1 4.047 ppm2 7.669 CV 1 ASSI {17659} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HA )) 2.300 0.600 0.600 peak 17659 weight 0.10000E+01 volume 0.14194E-01 ppm1 4.043 ppm2 2.288 CV 1 OR {17659} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HA )) OR {17659} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) ASSI {17731} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HG1 )) 4.200 2.200 1.800 peak 17731 weight 0.10000E+01 volume 0.11181E-02 ppm1 2.155 ppm2 5.269 CV 1 ASSI {17732} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HG1 )) 1.700 0.400 0.500 peak 17732 weight 0.10000E+01 volume 0.16196E-01 ppm1 2.156 ppm2 2.304 CV 1 ASSI {17872} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.200 0.600 0.600 peak 17872 weight 0.10000E+01 volume 0.63583E-02 ppm1 4.575 ppm2 8.375 CV 1 ASSI {17875} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 69 and name HA )) 4.100 2.100 1.900 peak 17875 weight 0.10000E+01 volume 0.25034E-02 ppm1 4.580 ppm2 2.686 CV 1 ASSI {17876} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 29 and name HA )) 4.900 3.100 1.100 peak 17876 weight 0.10000E+01 volume 0.66851E-03 ppm1 4.576 ppm2 2.545 CV 1 OR {17876} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 29 and name HA )) ASSI {17881} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 19 and name HA )) 1.700 0.400 0.500 peak 17881 weight 0.10000E+01 volume 0.11820E-01 ppm1 3.985 ppm2 2.064 CV 1 OR {17881} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 19 and name HA )) ASSI {17906} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 29 and name HE% ) 2.300 0.700 0.700 peak 17906 weight 0.10000E+01 volume 0.10056E-01 ppm1 6.755 ppm2 7.199 CV 1 ASSI {17910} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 29 and name HE% ) 3.600 1.600 1.600 peak 17910 weight 0.10000E+01 volume 0.69405E-03 ppm1 6.755 ppm2 3.117 CV 1 ASSI {17912} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 135 and name HN )) 3.000 1.100 1.100 peak 17912 weight 0.10000E+01 volume 0.17902E-02 ppm1 6.755 ppm2 0.957 CV 1 ASSI {17977} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 4.200 2.200 1.800 peak 17977 weight 0.10000E+01 volume 0.11800E-02 ppm1 4.793 ppm2 8.369 CV 1 ASSI {17983} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 17983 weight 0.10000E+01 volume 0.16936E-02 ppm1 4.099 ppm2 8.006 CV 1 ASSI {17987} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.200 0.600 0.600 peak 17987 weight 0.10000E+01 volume 0.11453E-01 ppm1 4.098 ppm2 1.793 CV 1 OR {17987} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) ASSI {17988} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 77 and name HA )) 3.100 1.200 1.200 peak 17988 weight 0.10000E+01 volume 0.46156E-02 ppm1 4.097 ppm2 1.579 CV 1 OR {17988} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 77 and name HA )) ASSI {18004} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HE% ) 4.300 2.300 1.700 peak 18004 weight 0.10000E+01 volume 0.68968E-03 ppm1 6.751 ppm2 4.569 CV 1 ASSI {18030} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 127 and name HG1 )) 4.100 2.100 1.900 peak 18030 weight 0.10000E+01 volume 0.62242E-03 ppm1 2.136 ppm2 4.056 CV 1 OR {18030} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 127 and name HG1 )) ASSI {18053} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 50 and name HA )) 3.900 1.900 1.900 peak 18053 weight 0.10000E+01 volume 0.90336E-03 ppm1 4.782 ppm2 2.065 CV 1 ASSI {18058} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 18058 weight 0.10000E+01 volume 0.39161E-02 ppm1 4.057 ppm2 2.592 CV 1 ASSI {18076} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 74 and name HE% ) 3.800 1.800 1.800 peak 18076 weight 0.10000E+01 volume 0.11201E-02 ppm1 6.370 ppm2 7.216 CV 1 ASSI {18139} ( segid " " and resid 29 and name HE% ) ( segid " " and resid 74 and name HE% ) 2.900 1.100 1.100 peak 18139 weight 0.10000E+01 volume 0.28591E-02 ppm1 6.366 ppm2 6.756 CV 1 ASSI {18157} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 18157 weight 0.10000E+01 volume 0.14737E-02 ppm1 4.779 ppm2 1.233 CV 1 OR {18157} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 50 and name HA )) ASSI {18230} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 50 and name HA )) 4.700 2.700 1.300 peak 18230 weight 0.10000E+01 volume 0.61494E-03 ppm1 4.789 ppm2 3.442 CV 1 ASSI {18251} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 18251 weight 0.10000E+01 volume 0.26899E-02 ppm1 4.452 ppm2 8.463 CV 1 ASSI {18255} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 18255 weight 0.10000E+01 volume 0.58367E-02 ppm1 4.452 ppm2 2.403 CV 1 OR {18255} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 32 and name HA )) ASSI {18256} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 18256 weight 0.10000E+01 volume 0.65408E-02 ppm1 4.453 ppm2 2.188 CV 1 ASSI {18267} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 18267 weight 0.10000E+01 volume 0.67033E-03 ppm1 4.275 ppm2 7.325 CV 1 ASSI {18268} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HA )) 2.400 0.700 0.700 peak 18268 weight 0.10000E+01 volume 0.48083E-02 ppm1 4.277 ppm2 3.440 CV 1 ASSI {18276} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 18276 weight 0.10000E+01 volume 0.16777E-02 ppm1 4.059 ppm2 9.106 CV 1 ASSI {18277} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 18277 weight 0.10000E+01 volume 0.18482E-02 ppm1 4.060 ppm2 8.919 CV 1 ASSI {18279} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 98 and name HA )) 3.100 1.200 1.200 peak 18279 weight 0.10000E+01 volume 0.18917E-02 ppm1 4.061 ppm2 1.467 CV 1 OR {18279} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HA )) ASSI {18280} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.900 1.000 1.000 peak 18280 weight 0.10000E+01 volume 0.16316E-02 ppm1 3.846 ppm2 7.842 CV 1 ASSI {18281} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.400 0.700 0.700 peak 18281 weight 0.10000E+01 volume 0.51720E-02 ppm1 3.847 ppm2 7.665 CV 1 ASSI {18285} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HA )) 3.500 1.500 1.500 peak 18285 weight 0.10000E+01 volume 0.35232E-02 ppm1 3.848 ppm2 2.153 CV 1 ASSI {18286} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 18286 weight 0.10000E+01 volume 0.73467E-02 ppm1 3.847 ppm2 2.003 CV 1 ASSI {18289} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HA )) 4.100 2.100 1.900 peak 18289 weight 0.10000E+01 volume 0.88777E-03 ppm1 3.842 ppm2 1.552 CV 1 ASSI {18290} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HA )) 4.300 2.400 1.700 peak 18290 weight 0.10000E+01 volume 0.61448E-03 ppm1 3.844 ppm2 1.334 CV 1 ASSI {18296} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 55 and name HA )) 4.500 2.500 1.500 peak 18296 weight 0.10000E+01 volume 0.90543E-03 ppm1 3.603 ppm2 3.135 CV 1 ASSI {18297} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 55 and name HA )) 4.200 2.200 1.800 peak 18297 weight 0.10000E+01 volume 0.11657E-02 ppm1 3.604 ppm2 2.676 CV 1 ASSI {18298} (( segid " " and resid 55 and name HG )) (( segid " " and resid 55 and name HA )) 2.400 0.700 0.700 peak 18298 weight 0.10000E+01 volume 0.34060E-02 ppm1 3.604 ppm2 1.550 CV 1 OR {18298} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI {18299} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 18299 weight 0.10000E+01 volume 0.35527E-02 ppm1 3.604 ppm2 1.339 CV 1 ASSI {18460} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 48 and name HB1 )) 3.800 1.800 1.800 peak 18460 weight 0.10000E+01 volume 0.94674E-03 ppm1 2.425 ppm2 1.231 CV 1 OR {18460} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 48 and name HB1 )) ASSI {18461} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) 3.200 1.300 1.300 peak 18461 weight 0.10000E+01 volume 0.19386E-02 ppm1 2.424 ppm2 8.935 CV 1 ASSI {18471} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HB2 )) 2.200 0.600 0.600 peak 18471 weight 0.10000E+01 volume 0.79433E-02 ppm1 2.062 ppm2 1.840 CV 1 ASSI {18473} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 2.500 0.800 0.800 peak 18473 weight 0.10000E+01 volume 0.42235E-02 ppm1 2.055 ppm2 4.560 CV 1 ASSI {18475} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HB2 )) 4.000 2.000 2.000 peak 18475 weight 0.10000E+01 volume 0.18288E-02 ppm1 2.056 ppm2 3.477 CV 1 ASSI {18476} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 1.700 0.300 0.500 peak 18476 weight 0.10000E+01 volume 0.19153E-01 ppm1 2.057 ppm2 2.427 CV 1 ASSI {18477} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HB2 )) 2.600 0.800 0.800 peak 18477 weight 0.10000E+01 volume 0.80623E-02 ppm1 2.052 ppm2 1.908 CV 1 ASSI {18479} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 48 and name HB2 )) 3.500 1.600 1.600 peak 18479 weight 0.10000E+01 volume 0.16959E-02 ppm1 2.055 ppm2 1.229 CV 1 OR {18479} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 48 and name HB2 )) ASSI {18511} (( segid " " and resid 49 and name HB )) (( segid " " and resid 50 and name HA )) 3.500 1.500 1.500 peak 18511 weight 0.10000E+01 volume 0.19613E-02 ppm1 4.765 ppm2 2.146 CV 1 ASSI {18525} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 87 and name HA )) 3.400 1.400 1.400 peak 18525 weight 0.10000E+01 volume 0.14292E-02 ppm1 4.368 ppm2 7.314 CV 1 ASSI {18528} (( segid " " and resid 88 and name HA )) (( segid " " and resid 87 and name HA )) 3.300 1.400 1.400 peak 18528 weight 0.10000E+01 volume 0.21092E-02 ppm1 4.367 ppm2 4.093 CV 1 ASSI {18529} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 87 and name HA )) 2.300 0.700 0.700 peak 18529 weight 0.10000E+01 volume 0.14799E-01 ppm1 4.367 ppm2 2.709 CV 1 OR {18529} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) ASSI {18530} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 87 and name HA )) 4.000 2.000 2.000 peak 18530 weight 0.10000E+01 volume 0.15212E-02 ppm1 4.370 ppm2 2.435 CV 1 ASSI {18536} (( segid " " and resid 132 and name HD21)) (( segid " " and resid 43 and name HA )) 3.600 1.600 1.600 peak 18536 weight 0.10000E+01 volume 0.59785E-03 ppm1 4.060 ppm2 6.995 CV 1 ASSI {18537} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HA )) 4.800 2.900 1.200 peak 18537 weight 0.10000E+01 volume 0.58121E-03 ppm1 4.061 ppm2 5.493 CV 1 ASSI {18538} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 18538 weight 0.10000E+01 volume 0.23329E-02 ppm1 4.058 ppm2 0.850 CV 1 OR {18538} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 43 and name HA )) ASSI {18544} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.300 0.700 0.700 peak 18544 weight 0.10000E+01 volume 0.45539E-02 ppm1 3.749 ppm2 1.520 CV 1 OR {18544} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) ASSI {18653} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 18653 weight 0.10000E+01 volume 0.67770E-03 ppm1 4.767 ppm2 1.923 CV 1 ASSI {18660} (( segid " " and resid 90 and name HD22)) (( segid " " and resid 87 and name HA )) 3.700 1.700 1.700 peak 18660 weight 0.10000E+01 volume 0.95188E-03 ppm1 4.369 ppm2 6.670 CV 1 ASSI {18661} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 87 and name HA )) 4.600 2.700 1.400 peak 18661 weight 0.10000E+01 volume 0.94119E-03 ppm1 4.360 ppm2 2.299 CV 1 OR {18661} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 87 and name HA )) ASSI {18680} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 18680 weight 0.10000E+01 volume 0.53931E-02 ppm1 4.086 ppm2 2.194 CV 1 ASSI {18683} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 18683 weight 0.10000E+01 volume 0.16048E-02 ppm1 3.785 ppm2 7.402 CV 1 ASSI {18684} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 52 and name HA )) 3.800 1.800 1.800 peak 18684 weight 0.10000E+01 volume 0.15890E-02 ppm1 3.785 ppm2 6.946 CV 1 ASSI {18687} (( segid " " and resid 68 and name HA )) (( segid " " and resid 52 and name HA )) 3.600 1.700 1.700 peak 18687 weight 0.10000E+01 volume 0.44505E-02 ppm1 3.785 ppm2 4.726 CV 1 ASSI {18688} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 18688 weight 0.10000E+01 volume 0.39205E-02 ppm1 3.785 ppm2 2.743 CV 1 OR {18688} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HA )) ASSI {18689} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.100 0.600 0.600 peak 18689 weight 0.10000E+01 volume 0.42616E-02 ppm1 3.785 ppm2 2.633 CV 1 OR {18689} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) ASSI {18795} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 50 and name HA )) 3.900 1.900 1.900 peak 18795 weight 0.10000E+01 volume 0.19932E-02 ppm1 4.779 ppm2 2.698 CV 1 OR {18795} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 50 and name HA )) ASSI {18812} (( segid " " and resid 93 and name HN )) ( segid " " and resid 85 and name HD% ) 4.200 2.200 1.800 peak 18812 weight 0.10000E+01 volume 0.59475E-03 ppm1 6.466 ppm2 7.687 CV 1 ASSI {18815} (( segid " " and resid 82 and name HN )) ( segid " " and resid 85 and name HD% ) 3.700 1.800 1.800 peak 18815 weight 0.10000E+01 volume 0.57591E-03 ppm1 6.461 ppm2 5.213 CV 1 ASSI {18822} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 74 and name HE% ) 3.900 1.900 1.900 peak 18822 weight 0.10000E+01 volume 0.63053E-03 ppm1 6.374 ppm2 7.297 CV 1 ASSI {18827} ( segid " " and resid 122 and name HG2%) ( segid " " and resid 74 and name HE% ) 3.600 1.600 1.600 peak 18827 weight 0.10000E+01 volume 0.11013E-02 ppm1 6.363 ppm2 0.136 CV 1 ASSI {18876} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG2 )) 4.700 2.800 1.300 peak 18876 weight 0.10000E+01 volume 0.60611E-03 ppm1 2.491 ppm2 8.381 CV 1 ASSI {18878} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HG2 )) 3.300 1.400 1.400 peak 18878 weight 0.10000E+01 volume 0.11118E-02 ppm1 2.493 ppm2 3.478 CV 1 ASSI {18880} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HG2 )) 2.000 0.500 0.500 peak 18880 weight 0.10000E+01 volume 0.88928E-02 ppm1 2.494 ppm2 2.017 CV 1 ASSI {18883} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 19 and name HG2 )) 3.900 1.900 1.900 peak 18883 weight 0.10000E+01 volume 0.14415E-02 ppm1 2.495 ppm2 0.683 CV 1 ASSI {18885} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG1 )) 2.000 0.500 0.500 peak 18885 weight 0.10000E+01 volume 0.39888E-02 ppm1 2.393 ppm2 7.843 CV 1 ASSI {18887} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG1 )) 2.700 0.900 0.900 peak 18887 weight 0.10000E+01 volume 0.42401E-02 ppm1 2.395 ppm2 3.981 CV 1 ASSI {18924} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 18924 weight 0.10000E+01 volume 0.43087E-02 ppm1 4.529 ppm2 3.890 CV 1 OR {18924} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI {18964} (( segid " " and resid 84 and name HD1 )) ( segid " " and resid 85 and name HD% ) 4.700 2.800 1.300 peak 18964 weight 0.10000E+01 volume 0.72784E-03 ppm1 6.462 ppm2 7.380 CV 1 ASSI {18971} ( segid " " and resid 93 and name HG2%) ( segid " " and resid 85 and name HD% ) 3.400 1.400 1.400 peak 18971 weight 0.10000E+01 volume 0.16575E-02 ppm1 6.462 ppm2 1.171 CV 1 ASSI {19035} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.300 1.400 1.400 peak 19035 weight 0.10000E+01 volume 0.13368E-02 ppm1 4.524 ppm2 8.199 CV 1 ASSI {19038} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 19038 weight 0.10000E+01 volume 0.83052E-03 ppm1 4.458 ppm2 3.531 CV 1 ASSI {19039} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.400 0.700 0.700 peak 19039 weight 0.10000E+01 volume 0.36870E-02 ppm1 4.456 ppm2 7.893 CV 1 ASSI {19040} (( segid " " and resid 76 and name HA )) (( segid " " and resid 72 and name HA )) 4.500 2.500 1.500 peak 19040 weight 0.10000E+01 volume 0.80377E-03 ppm1 4.455 ppm2 4.067 CV 1 ASSI {19041} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 72 and name HA )) 3.800 1.800 1.800 peak 19041 weight 0.10000E+01 volume 0.12416E-02 ppm1 4.455 ppm2 3.075 CV 1 ASSI {19042} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.400 0.700 0.700 peak 19042 weight 0.10000E+01 volume 0.49084E-02 ppm1 4.456 ppm2 2.681 CV 1 ASSI {19043} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.600 0.900 0.900 peak 19043 weight 0.10000E+01 volume 0.59490E-02 ppm1 4.456 ppm2 2.597 CV 1 ASSI {19045} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 19045 weight 0.10000E+01 volume 0.15127E-02 ppm1 4.456 ppm2 1.020 CV 1 ASSI {19047} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 19047 weight 0.10000E+01 volume 0.17669E-02 ppm1 4.456 ppm2 0.615 CV 1 ASSI {19054} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HA )) 2.300 0.700 0.700 peak 19054 weight 0.10000E+01 volume 0.40264E-02 ppm1 3.744 ppm2 1.171 CV 1 OR {19054} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HA )) ASSI {19078} (( segid " " and resid 138 and name HB )) ( segid " " and resid 37 and name HE% ) 3.800 1.800 1.800 peak 19078 weight 0.10000E+01 volume 0.60719E-03 ppm1 7.148 ppm2 3.816 CV 1 ASSI {19081} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 37 and name HE% ) 3.300 1.400 1.400 peak 19081 weight 0.10000E+01 volume 0.21583E-02 ppm1 7.150 ppm2 0.493 CV 1 ASSI {19082} ( segid " " and resid 27 and name HD1%) ( segid " " and resid 37 and name HE% ) 3.400 1.500 1.500 peak 19082 weight 0.10000E+01 volume 0.19403E-02 ppm1 7.150 ppm2 0.307 CV 1 ASSI {19175} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 19175 weight 0.10000E+01 volume 0.63703E-03 ppm1 4.460 ppm2 1.596 CV 1 ASSI {19177} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 72 and name HA )) 4.300 2.300 1.700 peak 19177 weight 0.10000E+01 volume 0.59421E-03 ppm1 4.440 ppm2 1.351 CV 1 ASSI {19181} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HA )) 3.500 1.500 1.500 peak 19181 weight 0.10000E+01 volume 0.18174E-02 ppm1 3.541 ppm2 8.310 CV 1 ASSI {19182} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.600 0.900 0.900 peak 19182 weight 0.10000E+01 volume 0.32696E-02 ppm1 3.541 ppm2 7.905 CV 1 ASSI {19187} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 100 and name HA )) 4.500 2.500 1.500 peak 19187 weight 0.10000E+01 volume 0.61655E-03 ppm1 3.540 ppm2 2.149 CV 1 OR {19187} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 100 and name HA )) ASSI {19189} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HA )) 2.500 0.800 0.800 peak 19189 weight 0.10000E+01 volume 0.18028E-02 ppm1 3.541 ppm2 1.451 CV 1 ASSI {19190} (( segid " " and resid 100 and name HG )) (( segid " " and resid 100 and name HA )) 2.600 0.800 0.800 peak 19190 weight 0.10000E+01 volume 0.47292E-02 ppm1 3.540 ppm2 1.219 CV 1 ASSI {19316} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 3.200 1.300 1.300 peak 19316 weight 0.10000E+01 volume 0.99754E-03 ppm1 1.981 ppm2 8.807 CV 1 ASSI {19317} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HB2 )) 2.500 0.800 0.800 peak 19317 weight 0.10000E+01 volume 0.62318E-02 ppm1 1.959 ppm2 2.380 CV 1 OR {19317} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HB2 )) ASSI {19318} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) 3.600 1.600 1.600 peak 19318 weight 0.10000E+01 volume 0.15853E-02 ppm1 1.891 ppm2 7.933 CV 1 ASSI {19320} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) 2.400 0.700 0.700 peak 19320 weight 0.10000E+01 volume 0.26525E-02 ppm1 1.893 ppm2 4.653 CV 1 ASSI {19322} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB1 )) 3.700 1.700 1.700 peak 19322 weight 0.10000E+01 volume 0.11917E-02 ppm1 1.881 ppm2 8.797 CV 1 ASSI {19363} (( segid " " and resid 37 and name HA )) (( segid " " and resid 136 and name HA )) 4.400 2.400 1.600 peak 19363 weight 0.10000E+01 volume 0.87997E-03 ppm1 5.677 ppm2 5.895 CV 1 ASSI {19389} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 4.800 2.800 1.200 peak 19389 weight 0.10000E+01 volume 0.10999E-02 ppm1 3.964 ppm2 7.348 CV 1 ASSI {19390} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 19390 weight 0.10000E+01 volume 0.79244E-02 ppm1 3.964 ppm2 2.041 CV 1 OR {19390} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) ASSI {19494} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HG2 )) 2.700 0.900 0.900 peak 19494 weight 0.10000E+01 volume 0.15246E-02 ppm1 2.704 ppm2 7.520 CV 1 ASSI {19496} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HG2 )) 4.300 2.300 1.700 peak 19496 weight 0.10000E+01 volume 0.16452E-02 ppm1 2.703 ppm2 4.702 CV 1 ASSI {19501} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HG2 )) 1.700 0.300 0.500 peak 19501 weight 0.10000E+01 volume 0.96010E-02 ppm1 2.703 ppm2 2.506 CV 1 ASSI {19503} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HG2 )) 3.800 1.800 1.800 peak 19503 weight 0.10000E+01 volume 0.15675E-02 ppm1 2.704 ppm2 1.271 CV 1 ASSI {19509} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG1 )) 2.500 0.800 0.800 peak 19509 weight 0.10000E+01 volume 0.18376E-02 ppm1 2.513 ppm2 8.824 CV 1 ASSI {19510} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG1 )) 4.500 2.500 1.500 peak 19510 weight 0.10000E+01 volume 0.58817E-03 ppm1 2.509 ppm2 7.995 CV 1 ASSI {19511} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HG1 )) 3.000 1.100 1.100 peak 19511 weight 0.10000E+01 volume 0.18091E-02 ppm1 2.509 ppm2 7.519 CV 1 ASSI {19513} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HG1 )) 3.900 1.900 1.900 peak 19513 weight 0.10000E+01 volume 0.22084E-02 ppm1 2.507 ppm2 4.700 CV 1 ASSI {19538} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HB1 )) 2.300 0.600 0.600 peak 19538 weight 0.10000E+01 volume 0.11012E-01 ppm1 1.889 ppm2 2.372 CV 1 OR {19538} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HB1 )) ASSI {19541} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 108 and name HB1 )) 2.800 1.000 1.000 peak 19541 weight 0.10000E+01 volume 0.20835E-02 ppm1 1.754 ppm2 2.292 CV 1 OR {19541} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 108 and name HB2 )) ASSI {19543} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 4.200 2.200 1.800 peak 19543 weight 0.10000E+01 volume 0.17681E-02 ppm1 1.714 ppm2 2.278 CV 1 OR {19543} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR {19543} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HB1 )) OR {19543} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI {19544} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 19544 weight 0.10000E+01 volume 0.18074E-02 ppm1 1.717 ppm2 0.853 CV 1 OR {19544} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HB2 )) ASSI {19565} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.200 0.600 0.600 peak 19565 weight 0.10000E+01 volume 0.52004E-02 ppm1 5.679 ppm2 10.011 CV 1 ASSI {19571} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 136 and name HA )) 4.700 2.700 1.300 peak 19571 weight 0.10000E+01 volume 0.56442E-03 ppm1 5.680 ppm2 1.449 CV 1 ASSI {19573} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 136 and name HA )) 4.400 2.400 1.600 peak 19573 weight 0.10000E+01 volume 0.70534E-03 ppm1 5.681 ppm2 0.534 CV 1 OR {19573} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 136 and name HA )) ASSI {19574} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 136 and name HA )) 4.300 2.300 1.700 peak 19574 weight 0.10000E+01 volume 0.82952E-03 ppm1 5.680 ppm2 0.350 CV 1 ASSI {19594} (( segid " " and resid 132 and name HA )) (( segid " " and resid 45 and name HA )) 4.400 2.400 1.600 peak 19594 weight 0.10000E+01 volume 0.57773E-03 ppm1 4.678 ppm2 5.687 CV 1 ASSI {19599} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.700 0.900 0.900 peak 19599 weight 0.10000E+01 volume 0.26367E-02 ppm1 3.964 ppm2 8.543 CV 1 ASSI {19601} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HA )) 3.300 1.400 1.400 peak 19601 weight 0.10000E+01 volume 0.39563E-02 ppm1 3.961 ppm2 2.358 CV 1 OR {19601} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HA )) ASSI {19610} (( segid " " and resid 20 and name HG )) (( segid " " and resid 20 and name HA )) 2.100 0.600 0.600 peak 19610 weight 0.10000E+01 volume 0.46875E-02 ppm1 3.720 ppm2 0.984 CV 1 ASSI {19660} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HG2 )) 3.500 1.500 1.500 peak 19660 weight 0.10000E+01 volume 0.14267E-02 ppm1 2.572 ppm2 7.558 CV 1 ASSI {19675} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB )) 2.900 1.100 1.100 peak 19675 weight 0.10000E+01 volume 0.12819E-02 ppm1 1.813 ppm2 4.997 CV 1 ASSI {19676} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 141 and name HB )) 2.300 0.600 0.600 peak 19676 weight 0.10000E+01 volume 0.60409E-02 ppm1 1.814 ppm2 1.054 CV 1 ASSI {19677} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 141 and name HB )) 2.300 0.700 0.700 peak 19677 weight 0.10000E+01 volume 0.65067E-02 ppm1 1.814 ppm2 0.913 CV 1 ASSI {19678} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB )) 2.700 0.900 0.900 peak 19678 weight 0.10000E+01 volume 0.21653E-02 ppm1 1.811 ppm2 8.781 CV 1 ASSI {19679} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 141 and name HB )) 3.500 1.500 1.500 peak 19679 weight 0.10000E+01 volume 0.12504E-02 ppm1 1.811 ppm2 3.703 CV 1 OR {19679} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 141 and name HB )) ASSI {19680} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 141 and name HB )) 2.700 0.900 0.900 peak 19680 weight 0.10000E+01 volume 0.18170E-02 ppm1 1.789 ppm2 2.226 CV 1 ASSI {19681} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 141 and name HB )) 4.800 2.900 1.200 peak 19681 weight 0.10000E+01 volume 0.59782E-03 ppm1 1.779 ppm2 4.028 CV 1 ASSI {19683} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HB2 )) 4.200 2.200 1.800 peak 19683 weight 0.10000E+01 volume 0.15137E-02 ppm1 1.751 ppm2 2.920 CV 1 OR {19683} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HB2 )) OR {19683} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HB1 )) OR {19683} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HB1 )) ASSI {19687} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 19687 weight 0.10000E+01 volume 0.83336E-03 ppm1 1.740 ppm2 0.589 CV 1 OR {19687} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 11 and name HB2 )) ASSI {19689} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 108 and name HB1 )) 3.600 1.600 1.600 peak 19689 weight 0.10000E+01 volume 0.16214E-02 ppm1 1.732 ppm2 2.142 CV 1 OR {19689} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 108 and name HB2 )) ASSI {19780} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG2 )) 3.300 1.400 1.400 peak 19780 weight 0.10000E+01 volume 0.32256E-02 ppm1 2.576 ppm2 8.278 CV 1 ASSI {19784} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HG2 )) 1.400 0.200 0.800 peak 19784 weight 0.10000E+01 volume 0.43021E-01 ppm1 2.576 ppm2 2.425 CV 1 ASSI {19785} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG2 )) 2.400 0.700 0.700 peak 19785 weight 0.10000E+01 volume 0.10532E-01 ppm1 2.576 ppm2 2.074 CV 1 OR {19785} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG2 )) ASSI {19786} (( segid " " and resid 126 and name HN )) (( segid " " and resid 111 and name HG2 )) 4.700 2.700 1.300 peak 19786 weight 0.10000E+01 volume 0.65917E-03 ppm1 2.404 ppm2 8.998 CV 1 OR {19786} (( segid " " and resid 126 and name HN )) (( segid " " and resid 111 and name HG1 )) ASSI {19787} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG1 )) 3.300 1.300 1.300 peak 19787 weight 0.10000E+01 volume 0.24731E-02 ppm1 2.408 ppm2 8.279 CV 1 ASSI {19788} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HG1 )) 2.900 1.000 1.000 peak 19788 weight 0.10000E+01 volume 0.11544E-02 ppm1 2.404 ppm2 7.562 CV 1 ASSI {19789} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG1 )) 3.400 1.400 1.400 peak 19789 weight 0.10000E+01 volume 0.44336E-02 ppm1 2.410 ppm2 4.046 CV 1 ASSI {19796} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 108 and name HB1 )) 4.300 2.300 1.700 peak 19796 weight 0.10000E+01 volume 0.58469E-03 ppm1 1.768 ppm2 0.714 CV 1 OR {19796} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 108 and name HB2 )) ASSI {19800} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 19800 weight 0.10000E+01 volume 0.57179E-02 ppm1 1.745 ppm2 4.342 CV 1 OR {19800} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB1 )) ASSI {20034} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 62 and name HG2 )) 4.300 2.300 1.700 peak 20034 weight 0.10000E+01 volume 0.71640E-03 ppm1 2.368 ppm2 2.730 CV 1 OR {20034} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 62 and name HG1 )) OR {20034} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 62 and name HG2 )) OR {20034} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 62 and name HG1 )) ASSI {20035} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HG2 )) 1.900 0.400 0.400 peak 20035 weight 0.10000E+01 volume 0.26021E-01 ppm1 2.371 ppm2 2.031 CV 1 OR {20035} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HG1 )) OR {20035} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG2 )) OR {20035} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG1 )) ASSI {20036} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 62 and name HG2 )) 4.800 2.900 1.200 peak 20036 weight 0.10000E+01 volume 0.69835E-03 ppm1 2.362 ppm2 1.244 CV 1 OR {20036} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 62 and name HG1 )) OR {20036} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 62 and name HG2 )) ASSI {20042} (( segid " " and resid 120 and name HG )) (( segid " " and resid 122 and name HB )) 4.300 2.300 1.700 peak 20042 weight 0.10000E+01 volume 0.65177E-03 ppm1 1.324 ppm2 1.433 CV 1 ASSI {20047} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB )) 3.000 1.100 1.100 peak 20047 weight 0.10000E+01 volume 0.15313E-02 ppm1 1.291 ppm2 4.826 CV 1 ASSI {20051} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 122 and name HB )) 3.800 1.800 1.800 peak 20051 weight 0.10000E+01 volume 0.56209E-03 ppm1 1.293 ppm2 -0.227 CV 1 ASSI {20052} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB )) 2.700 0.900 0.900 peak 20052 weight 0.10000E+01 volume 0.27864E-02 ppm1 1.291 ppm2 8.217 CV 1 ASSI {20092} (( segid " " and resid 104 and name HA )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 20092 weight 0.10000E+01 volume 0.16028E-02 ppm1 3.713 ppm2 3.974 CV 1 ASSI {20157} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 62 and name HG1 )) 3.800 1.800 1.800 peak 20157 weight 0.10000E+01 volume 0.12194E-02 ppm1 2.363 ppm2 1.344 CV 1 OR {20157} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 62 and name HG2 )) ASSI {20160} (( segid " " and resid 68 and name HB )) (( segid " " and resid 62 and name HG2 )) 3.800 1.800 1.800 peak 20160 weight 0.10000E+01 volume 0.25143E-02 ppm1 2.348 ppm2 1.660 CV 1 OR {20160} (( segid " " and resid 68 and name HB )) (( segid " " and resid 62 and name HG1 )) ASSI {20166} (( segid " " and resid 54 and name HB )) (( segid " " and resid 56 and name HG2 )) 4.900 3.000 1.100 peak 20166 weight 0.10000E+01 volume 0.10163E-02 ppm1 2.166 ppm2 1.756 CV 1 ASSI {20283} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 62 and name HG2 )) 2.600 0.800 0.800 peak 20283 weight 0.10000E+01 volume 0.25983E-02 ppm1 2.353 ppm2 2.640 CV 1 OR {20283} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 62 and name HG1 )) OR {20283} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 62 and name HG2 )) OR {20283} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 62 and name HG1 )) ASSI {20284} (( segid " " and resid 55 and name HG )) (( segid " " and resid 62 and name HG1 )) 4.300 2.300 1.700 peak 20284 weight 0.10000E+01 volume 0.19225E-02 ppm1 2.340 ppm2 1.513 CV 1 OR {20284} (( segid " " and resid 55 and name HG )) (( segid " " and resid 62 and name HG2 )) ASSI {20288} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG1 )) 3.700 1.700 1.700 peak 20288 weight 0.10000E+01 volume 0.10750E-02 ppm1 2.318 ppm2 7.837 CV 1 ASSI {20290} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG1 )) 2.500 0.800 0.800 peak 20290 weight 0.10000E+01 volume 0.12272E-02 ppm1 2.318 ppm2 7.282 CV 1 ASSI {20292} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG1 )) 3.000 1.100 1.100 peak 20292 weight 0.10000E+01 volume 0.35780E-02 ppm1 2.316 ppm2 3.842 CV 1 ASSI {20299} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HG2 )) 4.100 2.100 1.900 peak 20299 weight 0.10000E+01 volume 0.74199E-03 ppm1 2.165 ppm2 7.274 CV 1 ASSI {20303} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HG2 )) 2.200 0.600 0.600 peak 20303 weight 0.10000E+01 volume 0.84227E-02 ppm1 2.168 ppm2 1.984 CV 1 ASSI {20304} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 56 and name HG2 )) 1.400 0.200 0.800 peak 20304 weight 0.10000E+01 volume 0.34204E-01 ppm1 2.163 ppm2 2.317 CV 1 ASSI {20305} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HG2 )) 5.800 4.200 0.200 peak 20305 weight 0.10000E+01 volume 0.63491E-03 ppm1 2.155 ppm2 1.610 CV 1 ASSI {20306} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HG2 )) 5.800 4.200 0.200 peak 20306 weight 0.10000E+01 volume 0.68666E-03 ppm1 2.156 ppm2 1.539 CV 1 OR {20306} (( segid " " and resid 55 and name HG )) (( segid " " and resid 56 and name HG2 )) ASSI {20308} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HG2 )) 4.000 2.000 2.000 peak 20308 weight 0.10000E+01 volume 0.55600E-03 ppm1 2.156 ppm2 0.965 CV 1 ASSI {20324} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 20324 weight 0.10000E+01 volume 0.84470E-03 ppm1 4.805 ppm2 6.919 CV 1 ASSI {20468} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HG1 )) 2.300 0.600 0.600 peak 20468 weight 0.10000E+01 volume 0.24941E-02 ppm1 2.316 ppm2 3.642 CV 1 ASSI {20480} (( segid " " and resid 137 and name HN )) (( segid " " and resid 37 and name HA )) 4.400 2.400 1.600 peak 20480 weight 0.10000E+01 volume 0.73585E-03 ppm1 5.884 ppm2 10.015 CV 1 ASSI {20481} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.900 1.000 1.000 peak 20481 weight 0.10000E+01 volume 0.18028E-02 ppm1 5.884 ppm2 9.390 CV 1 ASSI {20482} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.100 0.600 0.600 peak 20482 weight 0.10000E+01 volume 0.72136E-02 ppm1 5.883 ppm2 9.227 CV 1 ASSI {20494} (( segid " " and resid 69 and name HN )) (( segid " " and resid 113 and name HA )) 3.100 1.200 1.200 peak 20494 weight 0.10000E+01 volume 0.10922E-02 ppm1 4.802 ppm2 9.227 CV 1 ASSI {20497} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HA )) 3.200 1.300 1.300 peak 20497 weight 0.10000E+01 volume 0.15758E-02 ppm1 4.803 ppm2 3.043 CV 1 ASSI {20651} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 39 and name HB )) 2.000 0.500 0.500 peak 20651 weight 0.10000E+01 volume 0.10620E-01 ppm1 1.964 ppm2 0.844 CV 1 ASSI {20652} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 39 and name HB )) 3.400 1.500 1.500 peak 20652 weight 0.10000E+01 volume 0.76927E-03 ppm1 1.963 ppm2 0.531 CV 1 OR {20652} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 39 and name HB )) ASSI {20671} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 20671 weight 0.10000E+01 volume 0.26121E-02 ppm1 5.884 ppm2 7.319 CV 1 ASSI {20674} (( segid " " and resid 138 and name HB )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 20674 weight 0.10000E+01 volume 0.21786E-02 ppm1 5.884 ppm2 3.811 CV 1 ASSI {20675} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 2.600 0.900 0.900 peak 20675 weight 0.10000E+01 volume 0.35552E-02 ppm1 5.883 ppm2 2.966 CV 1 OR {20675} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) ASSI {20678} (( segid " " and resid 136 and name HB )) (( segid " " and resid 37 and name HA )) 3.700 1.700 1.700 peak 20678 weight 0.10000E+01 volume 0.67586E-03 ppm1 5.883 ppm2 1.910 CV 1 ASSI {20679} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 37 and name HA )) 4.200 2.200 1.800 peak 20679 weight 0.10000E+01 volume 0.78688E-03 ppm1 5.884 ppm2 0.495 CV 1 ASSI {20738} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.500 1.500 1.500 peak 20738 weight 0.10000E+01 volume 0.79313E-03 ppm1 5.952 ppm2 0.860 CV 1 OR {20738} (( segid " " and resid 125 and name HG11)) ( segid " " and resid 40 and name HE% ) ASSI {20788} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 56 and name HG2 )) 4.200 2.200 1.800 peak 20788 weight 0.10000E+01 volume 0.12969E-02 ppm1 2.186 ppm2 2.627 CV 1 OR {20788} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 56 and name HG2 )) ASSI {20790} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 39 and name HB )) 3.800 1.800 1.800 peak 20790 weight 0.10000E+01 volume 0.16940E-02 ppm1 1.968 ppm2 1.474 CV 1 OR {20790} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 39 and name HB )) ASSI {20791} (( segid " " and resid 125 and name HA )) (( segid " " and resid 39 and name HB )) 4.500 2.500 1.500 peak 20791 weight 0.10000E+01 volume 0.12903E-02 ppm1 1.954 ppm2 4.809 CV 1 ASSI {20897} ( segid " " and resid 123 and name HE% ) ( segid " " and resid 40 and name HE% ) 3.600 1.600 1.600 peak 20897 weight 0.10000E+01 volume 0.14221E-02 ppm1 5.947 ppm2 6.531 CV 1 ASSI {20973} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 20973 weight 0.10000E+01 volume 0.29410E-02 ppm1 4.485 ppm2 2.676 CV 1 ASSI {20975} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 20975 weight 0.10000E+01 volume 0.51060E-02 ppm1 4.480 ppm2 8.583 CV 1 ASSI {20977} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 60 and name HA )) 3.200 1.300 1.300 peak 20977 weight 0.10000E+01 volume 0.97192E-03 ppm1 4.477 ppm2 7.246 CV 1 ASSI {20979} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 20979 weight 0.10000E+01 volume 0.39571E-02 ppm1 4.481 ppm2 3.137 CV 1 ASSI {20981} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 60 and name HA )) 4.400 2.500 1.600 peak 20981 weight 0.10000E+01 volume 0.72958E-03 ppm1 4.479 ppm2 0.556 CV 1 OR {20981} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 60 and name HA )) ASSI {21132} (( segid " " and resid 56 and name HA )) (( segid " " and resid 60 and name HA )) 2.900 1.000 1.000 peak 21132 weight 0.10000E+01 volume 0.17324E-02 ppm1 4.491 ppm2 3.860 CV 1 ASSI {21281} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.200 0.600 0.600 peak 21281 weight 0.10000E+01 volume 0.93778E-02 ppm1 4.414 ppm2 8.762 CV 1 ASSI {21282} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 21282 weight 0.10000E+01 volume 0.61103E-02 ppm1 4.415 ppm2 1.730 CV 1 OR {21282} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HA )) ASSI {21283} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 21283 weight 0.10000E+01 volume 0.59047E-02 ppm1 4.415 ppm2 1.504 CV 1 OR {21283} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HA )) ASSI {21286} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 3.300 1.400 1.400 peak 21286 weight 0.10000E+01 volume 0.10755E-02 ppm1 4.161 ppm2 8.812 CV 1 ASSI {21290} (( segid " " and resid 81 and name HA )) (( segid " " and resid 83 and name HA )) 3.600 1.600 1.600 peak 21290 weight 0.10000E+01 volume 0.18179E-02 ppm1 4.162 ppm2 4.328 CV 1 ASSI {21292} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 83 and name HA )) 4.600 2.700 1.400 peak 21292 weight 0.10000E+01 volume 0.56872E-03 ppm1 4.163 ppm2 3.915 CV 1 ASSI {21394} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB1 )) 2.900 1.000 1.000 peak 21394 weight 0.10000E+01 volume 0.19682E-02 ppm1 2.115 ppm2 4.047 CV 1 OR {21394} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB2 )) ASSI {21396} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HB1 )) 3.200 1.200 1.200 peak 21396 weight 0.10000E+01 volume 0.26359E-02 ppm1 2.116 ppm2 1.656 CV 1 OR {21396} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HB2 )) OR {21396} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HB1 )) OR {21396} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HB2 )) ASSI {21397} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 95 and name HB2 )) 4.600 2.700 1.400 peak 21397 weight 0.10000E+01 volume 0.86615E-03 ppm1 2.114 ppm2 1.344 CV 1 OR {21397} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 95 and name HB1 )) ASSI {21402} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HB2 )) 2.300 0.700 0.700 peak 21402 weight 0.10000E+01 volume 0.83797E-02 ppm1 2.105 ppm2 1.854 CV 1 OR {21402} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 95 and name HB1 )) ASSI {21409} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 2.600 0.900 0.900 peak 21409 weight 0.10000E+01 volume 0.33257E-02 ppm1 1.999 ppm2 4.351 CV 1 ASSI {21415} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 21415 weight 0.10000E+01 volume 0.41147E-02 ppm1 1.874 ppm2 4.020 CV 1 ASSI {21471} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HA )) 2.700 0.900 0.900 peak 21471 weight 0.10000E+01 volume 0.15465E-02 ppm1 4.701 ppm2 2.660 CV 1 ASSI {21474} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HA )) 4.400 2.400 1.600 peak 21474 weight 0.10000E+01 volume 0.89970E-03 ppm1 4.437 ppm2 2.275 CV 1 OR {21474} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 11 and name HA )) OR {21474} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HA )) ASSI {21476} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 11 and name HA )) 4.400 2.400 1.600 peak 21476 weight 0.10000E+01 volume 0.10279E-02 ppm1 4.429 ppm2 2.224 CV 1 ASSI {21482} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HA )) 4.500 2.500 1.500 peak 21482 weight 0.10000E+01 volume 0.61415E-03 ppm1 4.406 ppm2 0.844 CV 1 ASSI {21571} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.400 1.400 1.400 peak 21571 weight 0.10000E+01 volume 0.25750E-02 ppm1 1.990 ppm2 8.844 CV 1 ASSI {21576} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG2 )) 1.900 0.400 0.400 peak 21576 weight 0.10000E+01 volume 0.23172E-02 ppm1 1.715 ppm2 7.845 CV 1 ASSI {21579} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HG2 )) 3.700 1.800 1.800 peak 21579 weight 0.10000E+01 volume 0.14950E-02 ppm1 1.714 ppm2 3.604 CV 1 ASSI {21580} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HG2 )) 1.600 0.300 0.600 peak 21580 weight 0.10000E+01 volume 0.10961E-01 ppm1 1.712 ppm2 0.959 CV 1 ASSI {21581} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG2 )) 2.600 0.800 0.800 peak 21581 weight 0.10000E+01 volume 0.49411E-02 ppm1 1.711 ppm2 0.274 CV 1 OR {21581} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HG2 )) ASSI {21582} (( segid " " and resid 57 and name HE21)) (( segid " " and resid 57 and name HG2 )) 2.800 0.900 0.900 peak 21582 weight 0.10000E+01 volume 0.12568E-02 ppm1 1.690 ppm2 6.541 CV 1 ASSI {21589} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HG1 )) 2.600 0.900 0.900 peak 21589 weight 0.10000E+01 volume 0.66779E-03 ppm1 0.968 ppm2 3.008 CV 1 ASSI {21590} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG1 )) 2.200 0.600 0.600 peak 21590 weight 0.10000E+01 volume 0.62157E-02 ppm1 0.966 ppm2 0.273 CV 1 OR {21590} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HG1 )) ASSI {21594} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HG1 )) 4.000 2.000 2.000 peak 21594 weight 0.10000E+01 volume 0.14385E-02 ppm1 0.965 ppm2 3.606 CV 1 ASSI {21632} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 25 and name HA )) 3.700 1.700 1.700 peak 21632 weight 0.10000E+01 volume 0.83710E-03 ppm1 4.538 ppm2 1.686 CV 1 OR {21632} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 25 and name HA )) ASSI {21633} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 60 and name HA )) 3.900 1.900 1.900 peak 21633 weight 0.10000E+01 volume 0.91326E-03 ppm1 4.502 ppm2 1.663 CV 1 ASSI {21639} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 117 and name HA )) 3.000 1.200 1.200 peak 21639 weight 0.10000E+01 volume 0.12472E-02 ppm1 4.359 ppm2 2.290 CV 1 OR {21639} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 117 and name HA )) ASSI {21640} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.200 0.600 0.600 peak 21640 weight 0.10000E+01 volume 0.77833E-02 ppm1 4.353 ppm2 8.824 CV 1 ASSI {21641} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 3.200 1.300 1.300 peak 21641 weight 0.10000E+01 volume 0.22828E-02 ppm1 4.345 ppm2 8.291 CV 1 ASSI {21719} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.600 0.900 0.900 peak 21719 weight 0.10000E+01 volume 0.48621E-02 ppm1 1.658 ppm2 4.749 CV 1 ASSI {21721} (( segid " " and resid 67 and name HA )) (( segid " " and resid 114 and name HB2 )) 3.800 1.800 1.800 peak 21721 weight 0.10000E+01 volume 0.15876E-02 ppm1 1.652 ppm2 4.371 CV 1 OR {21721} (( segid " " and resid 67 and name HA )) (( segid " " and resid 114 and name HB1 )) ASSI {21723} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 114 and name HB1 )) 4.400 2.400 1.600 peak 21723 weight 0.10000E+01 volume 0.58914E-03 ppm1 1.654 ppm2 -0.229 CV 1 OR {21723} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 114 and name HB2 )) ASSI {21777} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.400 0.700 0.700 peak 21777 weight 0.10000E+01 volume 0.94167E-02 ppm1 4.540 ppm2 8.855 CV 1 ASSI {21779} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 25 and name HA )) 3.700 1.700 1.700 peak 21779 weight 0.10000E+01 volume 0.13358E-02 ppm1 4.541 ppm2 4.138 CV 1 ASSI {21782} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 25 and name HA )) 4.600 2.600 1.400 peak 21782 weight 0.10000E+01 volume 0.80536E-03 ppm1 4.540 ppm2 1.894 CV 1 ASSI {21785} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 117 and name HA )) 3.900 1.900 1.900 peak 21785 weight 0.10000E+01 volume 0.10781E-02 ppm1 4.356 ppm2 1.336 CV 1 ASSI {21790} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HA )) 2.600 0.800 0.800 peak 21790 weight 0.10000E+01 volume 0.47331E-02 ppm1 4.345 ppm2 2.195 CV 1 OR {21790} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HA )) ASSI {21792} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 21792 weight 0.10000E+01 volume 0.51472E-02 ppm1 4.351 ppm2 1.890 CV 1 ASSI {21794} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 117 and name HA )) 3.600 1.600 1.600 peak 21794 weight 0.10000E+01 volume 0.23422E-02 ppm1 4.350 ppm2 0.958 CV 1 OR {21794} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 117 and name HA )) ASSI {21879} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 117 and name HB1 )) 2.500 0.800 0.800 peak 21879 weight 0.10000E+01 volume 0.11814E-01 ppm1 2.004 ppm2 2.263 CV 1 OR {21879} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 117 and name HB1 )) ASSI {21887} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG2 )) 3.000 1.100 1.100 peak 21887 weight 0.10000E+01 volume 0.34859E-02 ppm1 1.737 ppm2 0.680 CV 1 ASSI {21889} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HG2 )) 3.500 1.500 1.500 peak 21889 weight 0.10000E+01 volume 0.20391E-02 ppm1 1.729 ppm2 7.207 CV 1 ASSI {21900} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HB2 )) 3.600 1.600 1.600 peak 21900 weight 0.10000E+01 volume 0.88969E-03 ppm1 1.650 ppm2 5.213 CV 1 OR {21900} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HB1 )) ASSI {21939} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 21939 weight 0.10000E+01 volume 0.30288E-02 ppm1 4.411 ppm2 2.138 CV 1 ASSI {22022} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 38 and name HB2 )) 3.800 1.800 1.800 peak 22022 weight 0.10000E+01 volume 0.11469E-02 ppm1 2.194 ppm2 1.722 CV 1 OR {22022} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 38 and name HB2 )) ASSI {22026} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 38 and name HB2 )) 4.600 2.700 1.400 peak 22026 weight 0.10000E+01 volume 0.89604E-03 ppm1 2.184 ppm2 1.515 CV 1 ASSI {22030} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 142 and name HB2 )) 3.700 1.700 1.700 peak 22030 weight 0.10000E+01 volume 0.11097E-02 ppm1 2.058 ppm2 2.342 CV 1 ASSI {22032} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) 2.900 1.000 1.000 peak 22032 weight 0.10000E+01 volume 0.30953E-02 ppm1 2.010 ppm2 9.217 CV 1 ASSI {22035} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HB1 )) 2.400 0.700 0.700 peak 22035 weight 0.10000E+01 volume 0.10282E-01 ppm1 2.000 ppm2 2.326 CV 1 OR {22035} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 38 and name HB1 )) ASSI {22046} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB1 )) 2.200 0.600 0.600 peak 22046 weight 0.10000E+01 volume 0.52659E-02 ppm1 1.860 ppm2 2.515 CV 1 OR {22046} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HB1 )) ASSI {22047} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 2.000 0.500 0.500 peak 22047 weight 0.10000E+01 volume 0.19742E-01 ppm1 1.780 ppm2 1.892 CV 1 OR {22047} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 34 and name HB1 )) ASSI {22049} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 22049 weight 0.10000E+01 volume 0.71332E-02 ppm1 1.769 ppm2 2.077 CV 1 OR {22049} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) OR {22049} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HB1 )) OR {22049} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) ASSI {22050} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 34 and name HB1 )) 4.000 2.000 2.000 peak 22050 weight 0.10000E+01 volume 0.21305E-02 ppm1 1.769 ppm2 0.806 CV 1 OR {22050} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 34 and name HB2 )) ASSI {22078} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.100 0.600 0.600 peak 22078 weight 0.10000E+01 volume 0.10112E-01 ppm1 5.076 ppm2 8.168 CV 1 ASSI {22079} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HA )) 3.700 1.700 1.700 peak 22079 weight 0.10000E+01 volume 0.19339E-02 ppm1 5.079 ppm2 6.066 CV 1 ASSI {22082} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) 2.300 0.700 0.700 peak 22082 weight 0.10000E+01 volume 0.99429E-02 ppm1 5.076 ppm2 2.931 CV 1 OR {22082} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) ASSI {22084} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 40 and name HA )) 4.600 2.600 1.400 peak 22084 weight 0.10000E+01 volume 0.10503E-02 ppm1 5.078 ppm2 1.775 CV 1 OR {22084} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name HA )) ASSI {22087} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 40 and name HA )) 3.800 1.800 1.800 peak 22087 weight 0.10000E+01 volume 0.93686E-03 ppm1 5.076 ppm2 0.718 CV 1 ASSI {22089} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 35 and name HA )) 5.100 3.300 0.900 peak 22089 weight 0.10000E+01 volume 0.90300E-03 ppm1 4.986 ppm2 2.324 CV 1 OR {22089} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 35 and name HA )) ASSI {22202} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB2 )) 2.700 0.900 0.900 peak 22202 weight 0.10000E+01 volume 0.55313E-02 ppm1 2.037 ppm2 4.612 CV 1 ASSI {22203} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 142 and name HB2 )) 3.000 1.100 1.100 peak 22203 weight 0.10000E+01 volume 0.91879E-03 ppm1 2.031 ppm2 0.594 CV 1 ASSI {22206} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.000 0.500 0.500 peak 22206 weight 0.10000E+01 volume 0.42452E-02 ppm1 1.999 ppm2 8.598 CV 1 ASSI {22209} (( segid " " and resid 25 and name HA )) (( segid " " and resid 21 and name HB2 )) 4.400 2.400 1.600 peak 22209 weight 0.10000E+01 volume 0.27058E-02 ppm1 2.007 ppm2 4.573 CV 1 ASSI {22213} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 22213 weight 0.10000E+01 volume 0.30459E-02 ppm1 1.996 ppm2 1.509 CV 1 ASSI {22216} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB1 )) 2.600 0.800 0.800 peak 22216 weight 0.10000E+01 volume 0.37247E-02 ppm1 1.878 ppm2 3.735 CV 1 ASSI {22219} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB1 )) 2.700 0.900 0.900 peak 22219 weight 0.10000E+01 volume 0.44815E-02 ppm1 1.847 ppm2 4.616 CV 1 ASSI {22222} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 34 and name HB2 )) 4.900 3.000 1.100 peak 22222 weight 0.10000E+01 volume 0.63834E-03 ppm1 1.786 ppm2 2.535 CV 1 OR {22222} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 34 and name HB1 )) OR {22222} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 34 and name HB1 )) ASSI {22301} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 22301 weight 0.10000E+01 volume 0.24257E-02 ppm1 4.982 ppm2 7.223 CV 1 ASSI {22306} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.500 0.800 0.800 peak 22306 weight 0.10000E+01 volume 0.31468E-02 ppm1 4.983 ppm2 3.152 CV 1 ASSI {22307} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 22307 weight 0.10000E+01 volume 0.32450E-02 ppm1 4.985 ppm2 2.933 CV 1 ASSI {22308} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 35 and name HA )) 5.100 3.300 0.900 peak 22308 weight 0.10000E+01 volume 0.12086E-02 ppm1 4.981 ppm2 2.129 CV 1 ASSI {22324} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 22324 weight 0.10000E+01 volume 0.19047E-02 ppm1 4.592 ppm2 2.165 CV 1 ASSI {22453} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 22453 weight 0.10000E+01 volume 0.29735E-02 ppm1 1.993 ppm2 4.040 CV 1 ASSI {22454} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 21 and name HB2 )) 2.200 0.600 0.600 peak 22454 weight 0.10000E+01 volume 0.30802E-02 ppm1 1.977 ppm2 1.464 CV 1 ASSI {22456} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.200 1.300 1.300 peak 22456 weight 0.10000E+01 volume 0.41109E-02 ppm1 1.877 ppm2 8.591 CV 1 ASSI {22554} (( segid " " and resid 116 and name HN )) (( segid " " and resid 66 and name HA )) 3.200 1.300 1.300 peak 22554 weight 0.10000E+01 volume 0.12754E-02 ppm1 5.609 ppm2 8.625 CV 1 ASSI {22555} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.200 0.600 0.600 peak 22555 weight 0.10000E+01 volume 0.87436E-02 ppm1 5.609 ppm2 8.380 CV 1 ASSI {22557} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 22557 weight 0.10000E+01 volume 0.20497E-02 ppm1 5.609 ppm2 6.997 CV 1 ASSI {22559} (( segid " " and resid 115 and name HA )) (( segid " " and resid 66 and name HA )) 2.500 0.800 0.800 peak 22559 weight 0.10000E+01 volume 0.30994E-02 ppm1 5.609 ppm2 5.272 CV 1 ASSI {22561} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.600 0.800 0.800 peak 22561 weight 0.10000E+01 volume 0.46995E-02 ppm1 5.609 ppm2 2.947 CV 1 ASSI {22603} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 90 and name HA )) 3.700 1.700 1.700 peak 22603 weight 0.10000E+01 volume 0.87871E-03 ppm1 4.701 ppm2 3.137 CV 1 ASSI {22605} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 90 and name HA )) 3.600 1.700 1.700 peak 22605 weight 0.10000E+01 volume 0.23010E-02 ppm1 4.689 ppm2 2.937 CV 1 ASSI {22612} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 22612 weight 0.10000E+01 volume 0.54517E-02 ppm1 4.570 ppm2 3.000 CV 1 ASSI {22766} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HB1 )) 4.100 2.100 1.900 peak 22766 weight 0.10000E+01 volume 0.13039E-02 ppm1 1.807 ppm2 3.755 CV 1 OR {22766} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HB2 )) OR {22766} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HB1 )) OR {22766} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HB2 )) ASSI {22812} (( segid " " and resid 86 and name HN )) (( segid " " and resid 90 and name HA )) 4.300 2.300 1.700 peak 22812 weight 0.10000E+01 volume 0.78117E-03 ppm1 4.689 ppm2 8.704 CV 1 ASSI {22892} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 81 and name HB2 )) 4.500 2.600 1.500 peak 22892 weight 0.10000E+01 volume 0.69554E-03 ppm1 2.300 ppm2 0.716 CV 1 OR {22892} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 81 and name HB1 )) ASSI {22893} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 81 and name HB2 )) 5.400 3.700 0.600 peak 22893 weight 0.10000E+01 volume 0.55889E-03 ppm1 2.301 ppm2 -0.435 CV 1 OR {22893} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 81 and name HB1 )) ASSI {22894} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 81 and name HB2 )) 3.400 1.400 1.400 peak 22894 weight 0.10000E+01 volume 0.89274E-03 ppm1 2.269 ppm2 6.465 CV 1 OR {22894} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 81 and name HB1 )) ASSI {22895} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 81 and name HB1 )) 3.600 1.600 1.600 peak 22895 weight 0.10000E+01 volume 0.15788E-02 ppm1 2.270 ppm2 0.817 CV 1 OR {22895} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 81 and name HB2 )) ASSI {22896} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 81 and name HB2 )) 3.800 1.800 1.800 peak 22896 weight 0.10000E+01 volume 0.80098E-03 ppm1 2.262 ppm2 7.189 CV 1 OR {22896} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 81 and name HB1 )) ASSI {22897} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 81 and name HB1 )) 4.100 2.100 1.900 peak 22897 weight 0.10000E+01 volume 0.71803E-03 ppm1 2.262 ppm2 6.591 CV 1 OR {22897} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 81 and name HB2 )) ASSI {22898} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.500 1.500 1.500 peak 22898 weight 0.10000E+01 volume 0.12384E-02 ppm1 2.260 ppm2 5.213 CV 1 OR {22898} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI {22902} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 81 and name HB1 )) 3.500 1.500 1.500 peak 22902 weight 0.10000E+01 volume 0.22401E-02 ppm1 2.266 ppm2 1.171 CV 1 OR {22902} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 81 and name HB2 )) ASSI {22908} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HB1 )) 2.100 0.600 0.600 peak 22908 weight 0.10000E+01 volume 0.24337E-01 ppm1 1.832 ppm2 2.229 CV 1 ASSI {22913} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HG1 )) 3.400 1.500 1.500 peak 22913 weight 0.10000E+01 volume 0.43256E-02 ppm1 1.812 ppm2 4.348 CV 1 ASSI {22915} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 82 and name HG1 )) 3.800 1.800 1.800 peak 22915 weight 0.10000E+01 volume 0.72950E-03 ppm1 1.797 ppm2 6.567 CV 1 ASSI {22940} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) 4.500 2.500 1.500 peak 22940 weight 0.10000E+01 volume 0.95798E-03 ppm1 4.771 ppm2 8.728 CV 1 ASSI {22946} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 90 and name HA )) 3.700 1.700 1.700 peak 22946 weight 0.10000E+01 volume 0.66959E-03 ppm1 4.689 ppm2 6.468 CV 1 ASSI {22952} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.600 0.800 0.800 peak 22952 weight 0.10000E+01 volume 0.73910E-02 ppm1 4.316 ppm2 8.692 CV 1 ASSI {22956} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 85 and name HA )) 2.300 0.600 0.600 peak 22956 weight 0.10000E+01 volume 0.80006E-02 ppm1 4.316 ppm2 6.463 CV 1 ASSI {22957} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HA )) 2.900 1.100 1.100 peak 22957 weight 0.10000E+01 volume 0.26751E-02 ppm1 4.316 ppm2 3.166 CV 1 ASSI {22958} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 108 and name HA )) 4.000 2.000 2.000 peak 22958 weight 0.10000E+01 volume 0.18092E-02 ppm1 4.320 ppm2 2.408 CV 1 OR {22958} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 108 and name HA )) ASSI {23026} (( segid " " and resid 63 and name HA )) (( segid " " and resid 60 and name HB1 )) 4.300 2.300 1.700 peak 23026 weight 0.10000E+01 volume 0.80275E-03 ppm1 2.654 ppm2 4.654 CV 1 ASSI {23056} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 84 and name HA )) 4.300 2.300 1.700 peak 23056 weight 0.10000E+01 volume 0.91751E-03 ppm1 4.766 ppm2 2.306 CV 1 OR {23056} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 84 and name HA )) ASSI {23057} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 90 and name HA )) 4.000 2.000 2.000 peak 23057 weight 0.10000E+01 volume 0.30167E-02 ppm1 4.680 ppm2 2.522 CV 1 OR {23057} (( segid " " and resid 86 and name HG1 )) (( segid " " and resid 90 and name HA )) ASSI {23059} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HA )) 4.300 2.300 1.700 peak 23059 weight 0.10000E+01 volume 0.56347E-03 ppm1 4.367 ppm2 8.130 CV 1 ASSI {23061} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 23061 weight 0.10000E+01 volume 0.19197E-02 ppm1 4.345 ppm2 7.873 CV 1 ASSI {23066} (( segid " " and resid 16 and name HB )) (( segid " " and resid 13 and name HA )) 2.300 0.700 0.700 peak 23066 weight 0.10000E+01 volume 0.47899E-02 ppm1 4.345 ppm2 2.004 CV 1 ASSI {23067} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 23067 weight 0.10000E+01 volume 0.12366E-02 ppm1 4.343 ppm2 1.202 CV 1 ASSI {23069} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 13 and name HA )) 3.800 1.800 1.800 peak 23069 weight 0.10000E+01 volume 0.20888E-02 ppm1 4.345 ppm2 0.632 CV 1 ASSI {23070} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 23070 weight 0.10000E+01 volume 0.16507E-02 ppm1 4.334 ppm2 8.474 CV 1 ASSI {23072} (( segid " " and resid 19 and name HE22)) (( segid " " and resid 13 and name HA )) 4.600 2.700 1.400 peak 23072 weight 0.10000E+01 volume 0.13579E-02 ppm1 4.333 ppm2 7.439 CV 1 ASSI {23074} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 23074 weight 0.10000E+01 volume 0.12312E-02 ppm1 4.324 ppm2 2.274 CV 1 OR {23074} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 85 and name HA )) ASSI {23152} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 60 and name HB2 )) 4.700 2.800 1.300 peak 23152 weight 0.10000E+01 volume 0.64402E-03 ppm1 3.134 ppm2 7.236 CV 1 ASSI {23155} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HB2 )) 2.100 0.600 0.600 peak 23155 weight 0.10000E+01 volume 0.61438E-02 ppm1 3.135 ppm2 2.678 CV 1 ASSI {23158} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 60 and name HB2 )) 3.900 1.900 1.900 peak 23158 weight 0.10000E+01 volume 0.17976E-02 ppm1 3.135 ppm2 0.579 CV 1 OR {23158} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 60 and name HB2 )) ASSI {23164} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 60 and name HB1 )) 4.200 2.200 1.800 peak 23164 weight 0.10000E+01 volume 0.59104E-03 ppm1 2.681 ppm2 7.243 CV 1 ASSI {23170} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 60 and name HB1 )) 3.700 1.800 1.800 peak 23170 weight 0.10000E+01 volume 0.17745E-02 ppm1 2.680 ppm2 0.577 CV 1 OR {23170} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 60 and name HB1 )) ASSI {23173} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG1 )) 4.400 2.400 1.600 peak 23173 weight 0.10000E+01 volume 0.13635E-02 ppm1 2.522 ppm2 8.835 CV 1 OR {23173} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI {23174} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG1 )) 2.400 0.700 0.700 peak 23174 weight 0.10000E+01 volume 0.28087E-02 ppm1 2.522 ppm2 8.379 CV 1 OR {23174} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI {23176} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG1 )) 3.300 1.300 1.300 peak 23176 weight 0.10000E+01 volume 0.34260E-02 ppm1 2.522 ppm2 4.722 CV 1 OR {23176} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG2 )) ASSI {23178} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG2 )) 2.100 0.600 0.600 peak 23178 weight 0.10000E+01 volume 0.15485E-01 ppm1 2.520 ppm2 1.971 CV 1 OR {23178} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG1 )) ASSI {23180} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HG1 )) 4.500 2.500 1.500 peak 23180 weight 0.10000E+01 volume 0.86789E-03 ppm1 2.508 ppm2 2.900 CV 1 OR {23180} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HG2 )) ASSI {23184} (( segid " " and resid 88 and name HN )) (( segid " " and resid 92 and name HB )) 4.800 2.900 1.200 peak 23184 weight 0.10000E+01 volume 0.67593E-03 ppm1 2.368 ppm2 9.018 CV 1 ASSI {23192} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.200 1.300 1.300 peak 23192 weight 0.10000E+01 volume 0.77736E-03 ppm1 1.971 ppm2 9.585 CV 1 ASSI {23197} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 127 and name HB2 )) 4.600 2.700 1.400 peak 23197 weight 0.10000E+01 volume 0.90937E-03 ppm1 1.886 ppm2 8.127 CV 1 ASSI {23237} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 35 and name HA )) 4.900 3.100 1.100 peak 23237 weight 0.10000E+01 volume 0.59943E-03 ppm1 4.984 ppm2 2.535 CV 1 OR {23237} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 35 and name HA )) ASSI {23277} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 13 and name HA )) 3.600 1.600 1.600 peak 23277 weight 0.10000E+01 volume 0.17185E-02 ppm1 4.359 ppm2 2.296 CV 1 OR {23277} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 13 and name HA )) OR {23277} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 13 and name HA )) ASSI {23280} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 23280 weight 0.10000E+01 volume 0.29075E-02 ppm1 4.340 ppm2 8.292 CV 1 ASSI {23368} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HB2 )) 2.300 0.700 0.700 peak 23368 weight 0.10000E+01 volume 0.26935E-02 ppm1 2.465 ppm2 2.225 CV 1 ASSI {23369} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 129 and name HB2 )) 2.500 0.800 0.800 peak 23369 weight 0.10000E+01 volume 0.99696E-02 ppm1 2.472 ppm2 1.987 CV 1 ASSI {23373} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 93 and name HB )) 3.300 1.400 1.400 peak 23373 weight 0.10000E+01 volume 0.20284E-02 ppm1 2.404 ppm2 1.786 CV 1 ASSI {23374} (( segid " " and resid 79 and name HB )) (( segid " " and resid 93 and name HB )) 4.700 2.700 1.300 peak 23374 weight 0.10000E+01 volume 0.74163E-03 ppm1 2.384 ppm2 4.468 CV 1 ASSI {23375} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HB )) 4.600 2.600 1.400 peak 23375 weight 0.10000E+01 volume 0.63841E-03 ppm1 2.362 ppm2 8.272 CV 1 ASSI {23377} (( segid " " and resid 89 and name HA )) (( segid " " and resid 92 and name HB )) 1.900 0.400 0.400 peak 23377 weight 0.10000E+01 volume 0.17714E-02 ppm1 2.365 ppm2 3.866 CV 1 ASSI {23380} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 92 and name HB )) 2.200 0.600 0.600 peak 23380 weight 0.10000E+01 volume 0.75545E-02 ppm1 2.364 ppm2 1.342 CV 1 ASSI {23384} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 92 and name HB )) 4.700 2.800 1.300 peak 23384 weight 0.10000E+01 volume 0.88319E-03 ppm1 2.342 ppm2 2.187 CV 1 ASSI {23392} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 65 and name HB2 )) 3.500 1.500 1.500 peak 23392 weight 0.10000E+01 volume 0.86118E-03 ppm1 2.286 ppm2 1.520 CV 1 OR {23392} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 65 and name HB1 )) ASSI {23394} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HB2 )) 3.900 1.900 1.900 peak 23394 weight 0.10000E+01 volume 0.12999E-02 ppm1 2.269 ppm2 4.086 CV 1 OR {23394} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HB1 )) ASSI {23401} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB1 )) 2.400 0.700 0.700 peak 23401 weight 0.10000E+01 volume 0.93051E-02 ppm1 2.002 ppm2 2.277 CV 1 ASSI {23403} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HB1 )) 3.700 1.700 1.700 peak 23403 weight 0.10000E+01 volume 0.16601E-02 ppm1 1.970 ppm2 4.808 CV 1 OR {23403} (( segid " " and resid 128 and name HB )) (( segid " " and resid 127 and name HB1 )) ASSI {23404} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 127 and name HB1 )) 3.500 1.600 1.600 peak 23404 weight 0.10000E+01 volume 0.32630E-02 ppm1 1.976 ppm2 4.266 CV 1 ASSI {23407} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HB1 )) 2.200 0.600 0.600 peak 23407 weight 0.10000E+01 volume 0.67598E-02 ppm1 1.965 ppm2 2.175 CV 1 ASSI {23409} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 127 and name HB1 )) 4.100 2.100 1.900 peak 23409 weight 0.10000E+01 volume 0.91321E-03 ppm1 1.962 ppm2 0.685 CV 1 ASSI {23414} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 127 and name HB2 )) 2.200 0.600 0.600 peak 23414 weight 0.10000E+01 volume 0.15740E-01 ppm1 1.885 ppm2 2.274 CV 1 ASSI {23431} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.400 0.700 0.700 peak 23431 weight 0.10000E+01 volume 0.54617E-02 ppm1 5.721 ppm2 8.816 CV 1 ASSI {23432} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 137 and name HA )) 4.300 2.300 1.700 peak 23432 weight 0.10000E+01 volume 0.79261E-03 ppm1 5.722 ppm2 6.659 CV 1 ASSI {23433} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 137 and name HA )) 4.400 2.500 1.600 peak 23433 weight 0.10000E+01 volume 0.77565E-03 ppm1 5.726 ppm2 6.015 CV 1 ASSI {23436} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 23436 weight 0.10000E+01 volume 0.13293E-02 ppm1 5.715 ppm2 10.006 CV 1 ASSI {23437} (( segid " " and resid 124 and name HN )) (( segid " " and resid 137 and name HA )) 2.900 1.100 1.100 peak 23437 weight 0.10000E+01 volume 0.13056E-02 ppm1 5.719 ppm2 9.601 CV 1 ASSI {23442} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 137 and name HA )) 2.600 0.800 0.800 peak 23442 weight 0.10000E+01 volume 0.36077E-02 ppm1 5.720 ppm2 3.575 CV 1 ASSI {23443} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HA )) 2.500 0.800 0.800 peak 23443 weight 0.10000E+01 volume 0.33205E-02 ppm1 5.720 ppm2 3.483 CV 1 ASSI {23445} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 137 and name HA )) 3.900 1.900 1.900 peak 23445 weight 0.10000E+01 volume 0.71629E-03 ppm1 5.719 ppm2 0.842 CV 1 OR {23445} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 137 and name HA )) ASSI {23607} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HB2 )) 4.100 2.100 1.900 peak 23607 weight 0.10000E+01 volume 0.16065E-02 ppm1 2.433 ppm2 4.094 CV 1 ASSI {23619} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 92 and name HB )) 2.600 0.900 0.900 peak 23619 weight 0.10000E+01 volume 0.88611E-02 ppm1 2.351 ppm2 1.956 CV 1 OR {23619} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 92 and name HB )) ASSI {23633} (( segid " " and resid 133 and name HG )) (( segid " " and resid 127 and name HB1 )) 4.100 2.100 1.900 peak 23633 weight 0.10000E+01 volume 0.82159E-03 ppm1 1.973 ppm2 1.190 CV 1 ASSI {23638} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 112 and name HB )) 3.700 1.700 1.700 peak 23638 weight 0.10000E+01 volume 0.26129E-02 ppm1 1.878 ppm2 0.768 CV 1 ASSI {23782} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 93 and name HB )) 4.200 2.200 1.800 peak 23782 weight 0.10000E+01 volume 0.55423E-03 ppm1 2.388 ppm2 6.593 CV 1 ASSI {23841} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 106 and name HA )) 4.000 2.000 2.000 peak 23841 weight 0.10000E+01 volume 0.12251E-02 ppm1 4.815 ppm2 1.757 CV 1 OR {23841} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 106 and name HA )) ASSI {23977} (( segid " " and resid 99 and name HA )) (( segid " " and resid 98 and name HB2 )) 3.800 1.800 1.800 peak 23977 weight 0.10000E+01 volume 0.61533E-03 ppm1 1.899 ppm2 3.760 CV 1 ASSI {24054} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 142 and name HA )) 3.300 1.300 1.300 peak 24054 weight 0.10000E+01 volume 0.16373E-02 ppm1 4.620 ppm2 0.909 CV 1 ASSI {24055} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HA )) 2.700 0.900 0.900 peak 24055 weight 0.10000E+01 volume 0.34449E-02 ppm1 4.607 ppm2 2.161 CV 1 ASSI {24228} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 102 and name HB )) 3.400 1.500 1.500 peak 24228 weight 0.10000E+01 volume 0.99690E-03 ppm1 2.119 ppm2 1.645 CV 1 ASSI {24286} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 24286 weight 0.10000E+01 volume 0.35104E-02 ppm1 5.163 ppm2 1.777 CV 1 OR {24286} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) ASSI {24298} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 106 and name HA )) 4.100 2.100 1.900 peak 24298 weight 0.10000E+01 volume 0.92629E-03 ppm1 4.832 ppm2 2.206 CV 1 OR {24298} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 106 and name HA )) ASSI {24302} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 142 and name HA )) 3.600 1.600 1.600 peak 24302 weight 0.10000E+01 volume 0.27191E-02 ppm1 4.623 ppm2 2.449 CV 1 ASSI {24444} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB1 )) 2.300 0.600 0.600 peak 24444 weight 0.10000E+01 volume 0.50241E-02 ppm1 1.947 ppm2 7.986 CV 1 ASSI {24447} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 98 and name HB2 )) 4.700 2.700 1.300 peak 24447 weight 0.10000E+01 volume 0.60396E-03 ppm1 1.934 ppm2 1.279 CV 1 OR {24447} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 98 and name HB1 )) ASSI {24449} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 24449 weight 0.10000E+01 volume 0.54691E-02 ppm1 1.905 ppm2 7.977 CV 1 ASSI {24451} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB2 )) 3.000 1.100 1.100 peak 24451 weight 0.10000E+01 volume 0.44341E-02 ppm1 1.905 ppm2 1.732 CV 1 OR {24451} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HB2 )) ASSI {24455} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 112 and name HB )) 4.800 2.900 1.200 peak 24455 weight 0.10000E+01 volume 0.12260E-02 ppm1 1.859 ppm2 1.486 CV 1 OR {24455} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 112 and name HB )) ASSI {24514} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HA )) 4.300 2.300 1.700 peak 24514 weight 0.10000E+01 volume 0.11806E-02 ppm1 5.161 ppm2 8.836 CV 1 ASSI {24515} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.000 0.500 0.500 peak 24515 weight 0.10000E+01 volume 0.66984E-02 ppm1 5.164 ppm2 8.026 CV 1 ASSI {24516} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 34 and name HA )) 3.800 1.900 1.900 peak 24516 weight 0.10000E+01 volume 0.57868E-03 ppm1 5.162 ppm2 7.216 CV 1 ASSI {24519} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HA )) 3.800 1.800 1.800 peak 24519 weight 0.10000E+01 volume 0.73933E-03 ppm1 5.166 ppm2 3.705 CV 1 OR {24519} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HA )) ASSI {24529} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.800 1.000 1.000 peak 24529 weight 0.10000E+01 volume 0.24739E-02 ppm1 4.830 ppm2 7.320 CV 1 OR {24529} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 106 and name HA )) ASSI {24530} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 106 and name HA )) 4.100 2.100 1.900 peak 24530 weight 0.10000E+01 volume 0.99184E-03 ppm1 4.831 ppm2 3.880 CV 1 OR {24530} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HA )) ASSI {24531} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 106 and name HA )) 2.500 0.800 0.800 peak 24531 weight 0.10000E+01 volume 0.54261E-02 ppm1 4.830 ppm2 2.439 CV 1 OR {24531} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HA )) ASSI {24540} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 86 and name HA )) 4.800 2.900 1.200 peak 24540 weight 0.10000E+01 volume 0.57317E-03 ppm1 4.654 ppm2 3.114 CV 1 ASSI {24752} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 49 and name HB )) 3.700 1.700 1.700 peak 24752 weight 0.10000E+01 volume 0.71153E-03 ppm1 2.128 ppm2 1.204 CV 1 ASSI {24756} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 2.600 0.800 0.800 peak 24756 weight 0.10000E+01 volume 0.37746E-02 ppm1 2.108 ppm2 3.662 CV 1 ASSI {24760} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 98 and name HB1 )) 4.000 2.000 2.000 peak 24760 weight 0.10000E+01 volume 0.19736E-02 ppm1 1.971 ppm2 2.550 CV 1 ASSI {24761} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HB1 )) 2.400 0.700 0.700 peak 24761 weight 0.10000E+01 volume 0.72282E-02 ppm1 1.965 ppm2 1.466 CV 1 OR {24761} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 98 and name HB1 )) ASSI {24762} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB1 )) 3.500 1.500 1.500 peak 24762 weight 0.10000E+01 volume 0.25975E-02 ppm1 1.947 ppm2 1.649 CV 1 OR {24762} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 98 and name HB1 )) ASSI {25065} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 34 and name HA )) 4.900 3.000 1.100 peak 25065 weight 0.10000E+01 volume 0.59792E-03 ppm1 5.179 ppm2 3.144 CV 1 ASSI {25067} (( segid " " and resid 30 and name HN )) (( segid " " and resid 34 and name HA )) 4.600 2.600 1.400 peak 25067 weight 0.10000E+01 volume 0.92877E-03 ppm1 5.167 ppm2 8.350 CV 1 ASSI {25071} (( segid " " and resid 28 and name HG )) (( segid " " and resid 34 and name HA )) 3.900 1.900 1.900 peak 25071 weight 0.10000E+01 volume 0.10680E-02 ppm1 5.167 ppm2 0.993 CV 1 ASSI {25145} (( segid " " and resid 21 and name HA )) (( segid " " and resid 38 and name HA )) 4.500 2.500 1.500 peak 25145 weight 0.10000E+01 volume 0.15406E-02 ppm1 4.911 ppm2 3.728 CV 1 ASSI {25170} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 106 and name HA )) 3.700 1.800 1.800 peak 25170 weight 0.10000E+01 volume 0.23598E-02 ppm1 4.852 ppm2 1.603 CV 1 OR {25170} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 106 and name HA )) ASSI {25180} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 106 and name HA )) 3.800 1.800 1.800 peak 25180 weight 0.10000E+01 volume 0.22734E-02 ppm1 4.825 ppm2 1.569 CV 1 OR {25180} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 106 and name HA )) OR {25180} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 106 and name HA )) ASSI {25182} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 106 and name HA )) 4.100 2.100 1.900 peak 25182 weight 0.10000E+01 volume 0.15706E-02 ppm1 4.832 ppm2 0.637 CV 1 ASSI {25183} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 106 and name HA )) 4.100 2.100 1.900 peak 25183 weight 0.10000E+01 volume 0.10217E-02 ppm1 4.828 ppm2 0.523 CV 1 OR {25183} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 106 and name HA )) ASSI {25184} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 106 and name HA )) 3.700 1.700 1.700 peak 25184 weight 0.10000E+01 volume 0.60112E-03 ppm1 4.818 ppm2 7.765 CV 1 ASSI {25228} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HA )) 4.700 2.800 1.300 peak 25228 weight 0.10000E+01 volume 0.80976E-03 ppm1 4.712 ppm2 3.139 CV 1 ASSI {25241} (( segid " " and resid 125 and name HN )) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 25241 weight 0.10000E+01 volume 0.78386E-03 ppm1 4.673 ppm2 8.868 CV 1 ASSI {25242} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 3.000 1.100 1.100 peak 25242 weight 0.10000E+01 volume 0.90308E-03 ppm1 4.671 ppm2 8.810 CV 1 ASSI {25247} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 3.000 1.100 1.100 peak 25247 weight 0.10000E+01 volume 0.14217E-02 ppm1 4.657 ppm2 8.683 CV 1 ASSI {25256} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 86 and name HA )) 3.600 1.700 1.700 peak 25256 weight 0.10000E+01 volume 0.52554E-02 ppm1 4.658 ppm2 2.341 CV 1 OR {25256} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 86 and name HA )) ASSI {25330} (( segid " " and resid 62 and name HN )) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 25330 weight 0.10000E+01 volume 0.11534E-02 ppm1 4.370 ppm2 8.497 CV 1 ASSI {25336} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 67 and name HA )) 4.600 2.600 1.400 peak 25336 weight 0.10000E+01 volume 0.66582E-03 ppm1 4.367 ppm2 0.633 CV 1 ASSI {25367} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HA )) 3.000 1.100 1.100 peak 25367 weight 0.10000E+01 volume 0.23195E-02 ppm1 4.274 ppm2 7.839 CV 1 ASSI {25371} (( segid " " and resid 89 and name HA )) (( segid " " and resid 91 and name HA )) 4.700 2.800 1.300 peak 25371 weight 0.10000E+01 volume 0.71005E-03 ppm1 4.270 ppm2 3.910 CV 1 ASSI {25382} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 25382 weight 0.10000E+01 volume 0.27570E-02 ppm1 4.210 ppm2 2.061 CV 1 ASSI {25393} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 94 and name HA )) 3.800 1.800 1.800 peak 25393 weight 0.10000E+01 volume 0.18758E-02 ppm1 4.193 ppm2 2.692 CV 1 ASSI {26396} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 124 and name HB )) 3.300 1.400 1.400 peak 26396 weight 0.10000E+01 volume 0.12574E-02 ppm1 2.427 ppm2 1.449 CV 1 OR {26396} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 124 and name HB )) ASSI {26402} (( segid " " and resid 71 and name HB )) (( segid " " and resid 124 and name HB )) 3.500 1.500 1.500 peak 26402 weight 0.10000E+01 volume 0.13654E-02 ppm1 2.415 ppm2 1.642 CV 1 ASSI {26404} (( segid " " and resid 113 and name HN )) (( segid " " and resid 124 and name HB )) 4.200 2.200 1.800 peak 26404 weight 0.10000E+01 volume 0.14101E-02 ppm1 2.407 ppm2 9.402 CV 1 ASSI {26524} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.700 1.700 1.700 peak 26524 weight 0.10000E+01 volume 0.22838E-02 ppm1 1.976 ppm2 8.808 CV 1 ASSI {26528} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HB1 )) 1.000 0.100 1.200 peak 26528 weight 0.10000E+01 volume 0.18590E+00 ppm1 1.975 ppm2 1.903 CV 1 ASSI {26529} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB1 )) 2.600 0.800 0.800 peak 26529 weight 0.10000E+01 volume 0.65679E-02 ppm1 1.976 ppm2 1.674 CV 1 OR {26529} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HB1 )) ASSI {26532} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.500 1.500 1.500 peak 26532 weight 0.10000E+01 volume 0.24530E-02 ppm1 1.967 ppm2 8.738 CV 1 ASSI {26541} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 98 and name HB2 )) 4.000 2.000 2.000 peak 26541 weight 0.10000E+01 volume 0.23963E-02 ppm1 1.937 ppm2 2.434 CV 1 OR {26541} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 98 and name HB1 )) ASSI {26562} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 54 and name HB )) 3.900 1.900 1.900 peak 26562 weight 0.10000E+01 volume 0.88278E-03 ppm1 1.740 ppm2 0.684 CV 1 ASSI {26563} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 54 and name HB )) 3.900 1.900 1.900 peak 26563 weight 0.10000E+01 volume 0.13258E-02 ppm1 1.738 ppm2 0.582 CV 1 OR {26563} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 54 and name HB )) ASSI {26565} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB )) 3.000 1.100 1.100 peak 26565 weight 0.10000E+01 volume 0.16060E-02 ppm1 1.728 ppm2 3.040 CV 1 ASSI {26566} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB )) 2.700 0.900 0.900 peak 26566 weight 0.10000E+01 volume 0.25219E-02 ppm1 1.712 ppm2 8.193 CV 1 ASSI { 191} (( segid " " and resid 84 and name HZ2 )) (( segid " " and resid 84 and name HE1 )) 2.700 0.900 0.900 peak 191 weight 0.10000E+01 volume 0.66383E-02 ppm1 10.353 ppm2 7.545 CV 1 ASSI { 192} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 84 and name HE1 )) 2.300 0.600 0.600 peak 192 weight 0.10000E+01 volume 0.14407E-01 ppm1 10.352 ppm2 7.386 CV 1 ASSI { 197} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HE1 )) 5.200 3.400 0.800 peak 197 weight 0.10000E+01 volume 0.32118E-03 ppm1 10.352 ppm2 3.644 CV 1 ASSI { 198} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HE1 )) 4.600 2.700 1.400 peak 198 weight 0.10000E+01 volume 0.61425E-03 ppm1 10.353 ppm2 3.168 CV 1 ASSI { 201} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 84 and name HE1 )) 3.800 1.800 1.800 peak 201 weight 0.10000E+01 volume 0.10450E-02 ppm1 10.353 ppm2 1.723 CV 1 ASSI { 202} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 84 and name HE1 )) 3.400 1.500 1.500 peak 202 weight 0.10000E+01 volume 0.88485E-03 ppm1 10.352 ppm2 0.684 CV 1 ASSI { 203} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 84 and name HE1 )) 3.800 1.800 1.800 peak 203 weight 0.10000E+01 volume 0.99135E-03 ppm1 10.353 ppm2 -0.493 CV 1 ASSI { 343} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.200 2.200 1.800 peak 343 weight 0.10000E+01 volume 0.50282E-03 ppm1 8.374 ppm2 9.472 CV 1 ASSI { 344} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 4.000 2.000 2.000 peak 344 weight 0.10000E+01 volume 0.49862E-03 ppm1 8.374 ppm2 8.836 CV 1 ASSI { 347} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 347 weight 0.10000E+01 volume 0.88199E-03 ppm1 8.374 ppm2 7.195 CV 1 ASSI { 348} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 348 weight 0.10000E+01 volume 0.28189E-02 ppm1 8.374 ppm2 4.714 CV 1 ASSI { 353} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.200 1.300 1.300 peak 353 weight 0.10000E+01 volume 0.34245E-02 ppm1 8.374 ppm2 1.875 CV 1 ASSI { 381} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HE1 )) 5.000 3.100 1.000 peak 381 weight 0.10000E+01 volume 0.65441E-03 ppm1 9.833 ppm2 8.937 CV 1 ASSI { 382} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HE1 )) 4.900 3.000 1.100 peak 382 weight 0.10000E+01 volume 0.62705E-03 ppm1 9.834 ppm2 8.165 CV 1 ASSI { 383} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 42 and name HE1 )) 2.300 0.700 0.700 peak 383 weight 0.10000E+01 volume 0.10287E-01 ppm1 9.832 ppm2 7.173 CV 1 ASSI { 386} (( segid " " and resid 42 and name HZ2 )) (( segid " " and resid 42 and name HE1 )) 2.600 0.800 0.800 peak 386 weight 0.10000E+01 volume 0.57409E-02 ppm1 9.832 ppm2 6.176 CV 1 ASSI { 387} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HE1 )) 3.700 1.700 1.700 peak 387 weight 0.10000E+01 volume 0.16263E-02 ppm1 9.832 ppm2 5.499 CV 1 ASSI { 388} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HE1 )) 4.900 3.000 1.100 peak 388 weight 0.10000E+01 volume 0.49422E-03 ppm1 9.832 ppm2 5.078 CV 1 ASSI { 391} (( segid " " and resid 125 and name HB )) (( segid " " and resid 42 and name HE1 )) 5.500 3.700 0.500 peak 391 weight 0.10000E+01 volume 0.32670E-03 ppm1 9.833 ppm2 1.719 CV 1 ASSI { 393} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 42 and name HE1 )) 4.300 2.300 1.700 peak 393 weight 0.10000E+01 volume 0.29778E-03 ppm1 9.832 ppm2 0.698 CV 1 ASSI { 438} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 3.900 1.900 1.900 peak 438 weight 0.10000E+01 volume 0.14010E-02 ppm1 8.910 ppm2 9.085 CV 1 ASSI { 442} (( segid " " and resid 133 and name HN )) (( segid " " and resid 42 and name HN )) 4.100 2.100 1.900 peak 442 weight 0.10000E+01 volume 0.29888E-03 ppm1 8.907 ppm2 7.788 CV 1 ASSI { 443} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 42 and name HN )) 3.400 1.400 1.400 peak 443 weight 0.10000E+01 volume 0.95557E-03 ppm1 8.912 ppm2 7.180 CV 1 ASSI { 444} (( segid " " and resid 135 and name HN )) (( segid " " and resid 42 and name HN )) 5.900 4.300 0.100 peak 444 weight 0.10000E+01 volume 0.28005E-03 ppm1 8.907 ppm2 6.800 CV 1 ASSI { 445} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HN )) 4.500 2.500 1.500 peak 445 weight 0.10000E+01 volume 0.98697E-03 ppm1 8.912 ppm2 6.061 CV 1 ASSI { 446} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 3.300 1.300 1.300 peak 446 weight 0.10000E+01 volume 0.13056E-02 ppm1 8.912 ppm2 5.496 CV 1 ASSI { 448} (( segid " " and resid 134 and name HA )) (( segid " " and resid 42 and name HN )) 3.300 1.300 1.300 peak 448 weight 0.10000E+01 volume 0.20845E-02 ppm1 8.912 ppm2 4.121 CV 1 ASSI { 449} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.600 0.800 0.800 peak 449 weight 0.10000E+01 volume 0.24031E-02 ppm1 8.912 ppm2 3.397 CV 1 ASSI { 451} (( segid " " and resid 133 and name HG )) (( segid " " and resid 42 and name HN )) 5.200 3.400 0.800 peak 451 weight 0.10000E+01 volume 0.26971E-03 ppm1 8.908 ppm2 1.179 CV 1 ASSI { 462} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 42 and name HN )) 4.500 2.600 1.500 peak 462 weight 0.10000E+01 volume 0.39983E-03 ppm1 8.911 ppm2 2.214 CV 1 ASSI { 464} (( segid " " and resid 41 and name HG )) (( segid " " and resid 42 and name HN )) 4.100 2.100 1.900 peak 464 weight 0.10000E+01 volume 0.74376E-03 ppm1 8.911 ppm2 1.774 CV 1 OR { 464} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) ASSI { 482} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HN )) 4.500 2.500 1.500 peak 482 weight 0.10000E+01 volume 0.61300E-03 ppm1 8.836 ppm2 8.359 CV 1 ASSI { 483} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 3.900 1.900 1.900 peak 483 weight 0.10000E+01 volume 0.83625E-03 ppm1 8.836 ppm2 8.204 CV 1 ASSI { 485} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HN )) 2.600 0.800 0.800 peak 485 weight 0.10000E+01 volume 0.33379E-02 ppm1 8.835 ppm2 4.637 CV 1 ASSI { 492} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 142 and name HN )) 5.700 4.100 0.300 peak 492 weight 0.10000E+01 volume 0.39765E-03 ppm1 8.835 ppm2 1.312 CV 1 ASSI { 493} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 142 and name HN )) 2.900 1.100 1.100 peak 493 weight 0.10000E+01 volume 0.60724E-02 ppm1 8.835 ppm2 0.925 CV 1 ASSI { 514} (( segid " " and resid 120 and name HN )) (( segid " " and resid 115 and name HN )) 4.600 2.600 1.400 peak 514 weight 0.10000E+01 volume 0.82399E-03 ppm1 9.331 ppm2 9.165 CV 1 ASSI { 515} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 4.000 2.000 2.000 peak 515 weight 0.10000E+01 volume 0.63844E-03 ppm1 9.329 ppm2 9.000 CV 1 ASSI { 517} (( segid " " and resid 121 and name HN )) (( segid " " and resid 115 and name HN )) 3.000 1.100 1.100 peak 517 weight 0.10000E+01 volume 0.13274E-02 ppm1 9.330 ppm2 8.496 CV 1 ASSI { 520} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HN )) 2.900 1.000 1.000 peak 520 weight 0.10000E+01 volume 0.16573E-02 ppm1 9.331 ppm2 5.272 CV 1 ASSI { 523} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 115 and name HN )) 4.300 2.300 1.700 peak 523 weight 0.10000E+01 volume 0.67437E-03 ppm1 9.332 ppm2 2.539 CV 1 ASSI { 526} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HN )) 3.800 1.900 1.900 peak 526 weight 0.10000E+01 volume 0.26044E-02 ppm1 9.331 ppm2 0.982 CV 1 ASSI { 544} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 43 and name HN )) 4.600 2.600 1.400 peak 544 weight 0.10000E+01 volume 0.12575E-02 ppm1 9.103 ppm2 7.172 CV 1 ASSI { 550} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) 4.300 2.300 1.700 peak 550 weight 0.10000E+01 volume 0.59127E-03 ppm1 9.104 ppm2 2.984 CV 1 ASSI { 551} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HN )) 4.000 2.000 2.000 peak 551 weight 0.10000E+01 volume 0.13358E-02 ppm1 9.103 ppm2 2.320 CV 1 ASSI { 556} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 43 and name HN )) 4.100 2.100 1.900 peak 556 weight 0.10000E+01 volume 0.65651E-03 ppm1 9.102 ppm2 0.849 CV 1 OR { 556} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 43 and name HN )) ASSI { 558} (( segid " " and resid 137 and name HN )) (( segid " " and resid 124 and name HN )) 4.900 3.000 1.100 peak 558 weight 0.10000E+01 volume 0.24772E-03 ppm1 9.598 ppm2 10.046 CV 1 ASSI { 561} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 124 and name HN )) 5.100 3.200 0.900 peak 561 weight 0.10000E+01 volume 0.67586E-03 ppm1 9.597 ppm2 6.662 CV 1 ASSI { 563} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 124 and name HN )) 3.800 1.800 1.800 peak 563 weight 0.10000E+01 volume 0.77851E-03 ppm1 9.599 ppm2 5.945 CV 1 ASSI { 566} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 124 and name HN )) 4.700 2.800 1.300 peak 566 weight 0.10000E+01 volume 0.41278E-03 ppm1 9.598 ppm2 3.471 CV 1 ASSI { 567} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 124 and name HN )) 4.400 2.400 1.600 peak 567 weight 0.10000E+01 volume 0.78015E-03 ppm1 9.598 ppm2 2.787 CV 1 ASSI { 568} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 124 and name HN )) 3.900 1.900 1.900 peak 568 weight 0.10000E+01 volume 0.10383E-02 ppm1 9.598 ppm2 2.648 CV 1 ASSI { 569} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HN )) 2.900 1.000 1.000 peak 569 weight 0.10000E+01 volume 0.30528E-02 ppm1 9.598 ppm2 2.432 CV 1 ASSI { 571} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 124 and name HN )) 4.900 3.000 1.100 peak 571 weight 0.10000E+01 volume 0.65454E-03 ppm1 9.598 ppm2 1.448 CV 1 OR { 571} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 124 and name HN )) ASSI { 572} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HN )) 2.500 0.800 0.800 peak 572 weight 0.10000E+01 volume 0.53432E-02 ppm1 9.598 ppm2 0.839 CV 1 OR { 572} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HN )) ASSI { 575} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 124 and name HN )) 4.400 2.400 1.600 peak 575 weight 0.10000E+01 volume 0.44712E-03 ppm1 9.598 ppm2 0.137 CV 1 ASSI { 581} (( segid " " and resid 113 and name HN )) (( segid " " and resid 124 and name HN )) 4.000 2.000 2.000 peak 581 weight 0.10000E+01 volume 0.73480E-03 ppm1 9.597 ppm2 9.425 CV 1 ASSI { 582} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 4.400 2.400 1.600 peak 582 weight 0.10000E+01 volume 0.38299E-03 ppm1 9.597 ppm2 8.991 CV 1 ASSI { 589} (( segid " " and resid 69 and name HN )) (( segid " " and resid 113 and name HN )) 4.100 2.100 1.900 peak 589 weight 0.10000E+01 volume 0.70631E-03 ppm1 9.410 ppm2 9.243 CV 1 ASSI { 590} (( segid " " and resid 123 and name HN )) (( segid " " and resid 113 and name HN )) 2.700 0.900 0.900 peak 590 weight 0.10000E+01 volume 0.16428E-02 ppm1 9.410 ppm2 8.996 CV 1 ASSI { 592} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 113 and name HN )) 2.800 1.000 1.000 peak 592 weight 0.10000E+01 volume 0.24074E-02 ppm1 9.410 ppm2 6.928 CV 1 ASSI { 595} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HN )) 2.500 0.800 0.800 peak 595 weight 0.10000E+01 volume 0.25980E-02 ppm1 9.410 ppm2 3.046 CV 1 ASSI { 596} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 113 and name HN )) 3.800 1.800 1.800 peak 596 weight 0.10000E+01 volume 0.75788E-03 ppm1 9.410 ppm2 2.794 CV 1 ASSI { 597} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HN )) 3.700 1.700 1.700 peak 597 weight 0.10000E+01 volume 0.18687E-02 ppm1 9.410 ppm2 2.548 CV 1 ASSI { 598} (( segid " " and resid 112 and name HB )) (( segid " " and resid 113 and name HN )) 4.300 2.300 1.700 peak 598 weight 0.10000E+01 volume 0.68796E-03 ppm1 9.409 ppm2 1.877 CV 1 ASSI { 605} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 113 and name HN )) 2.800 1.000 1.000 peak 605 weight 0.10000E+01 volume 0.32315E-02 ppm1 9.410 ppm2 -0.229 CV 1 ASSI { 634} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.800 1.900 1.900 peak 634 weight 0.10000E+01 volume 0.57845E-03 ppm1 7.562 ppm2 3.440 CV 1 ASSI { 635} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HN )) 5.000 3.100 1.000 peak 635 weight 0.10000E+01 volume 0.42220E-03 ppm1 7.563 ppm2 2.069 CV 1 OR { 635} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 25 and name HN )) ASSI { 648} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.200 1.200 1.200 peak 648 weight 0.10000E+01 volume 0.11076E-02 ppm1 7.564 ppm2 8.852 CV 1 ASSI { 654} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 654 weight 0.10000E+01 volume 0.16035E-02 ppm1 7.564 ppm2 4.260 CV 1 ASSI { 655} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 655 weight 0.10000E+01 volume 0.17939E-02 ppm1 7.564 ppm2 4.051 CV 1 ASSI { 656} (( segid " " and resid 21 and name HA )) (( segid " " and resid 25 and name HN )) 3.000 1.200 1.200 peak 656 weight 0.10000E+01 volume 0.95652E-03 ppm1 7.563 ppm2 3.749 CV 1 ASSI { 661} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 25 and name HN )) 4.700 2.700 1.300 peak 661 weight 0.10000E+01 volume 0.41495E-03 ppm1 7.564 ppm2 0.283 CV 1 ASSI { 701} (( segid " " and resid 32 and name HN )) (( segid " " and resid 141 and name HN )) 3.300 1.400 1.400 peak 701 weight 0.10000E+01 volume 0.10135E-02 ppm1 8.774 ppm2 8.465 CV 1 ASSI { 702} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 141 and name HN )) 5.600 4.000 0.400 peak 702 weight 0.10000E+01 volume 0.26945E-03 ppm1 8.772 ppm2 6.695 CV 1 ASSI { 703} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 703 weight 0.10000E+01 volume 0.13248E-02 ppm1 8.770 ppm2 4.997 CV 1 ASSI { 704} (( segid " " and resid 119 and name HA )) (( segid " " and resid 141 and name HN )) 3.100 1.200 1.200 peak 704 weight 0.10000E+01 volume 0.52027E-02 ppm1 8.771 ppm2 4.725 CV 1 ASSI { 705} (( segid " " and resid 32 and name HA )) (( segid " " and resid 141 and name HN )) 4.400 2.400 1.600 peak 705 weight 0.10000E+01 volume 0.15130E-02 ppm1 8.771 ppm2 4.468 CV 1 ASSI { 707} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 141 and name HN )) 4.300 2.300 1.700 peak 707 weight 0.10000E+01 volume 0.10896E-02 ppm1 8.771 ppm2 4.054 CV 1 ASSI { 708} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 141 and name HN )) 3.900 1.900 1.900 peak 708 weight 0.10000E+01 volume 0.38672E-03 ppm1 8.772 ppm2 3.702 CV 1 OR { 708} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 141 and name HN )) ASSI { 710} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 141 and name HN )) 3.200 1.300 1.300 peak 710 weight 0.10000E+01 volume 0.52890E-03 ppm1 8.772 ppm2 2.195 CV 1 ASSI { 714} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 141 and name HN )) 4.800 2.900 1.200 peak 714 weight 0.10000E+01 volume 0.32008E-03 ppm1 8.771 ppm2 0.574 CV 1 ASSI { 715} (( segid " " and resid 33 and name HN )) (( segid " " and resid 141 and name HN )) 3.900 1.900 1.900 peak 715 weight 0.10000E+01 volume 0.59802E-03 ppm1 8.768 ppm2 7.851 CV 1 ASSI { 741} (( segid " " and resid 127 and name HN )) (( segid " " and resid 46 and name HN )) 4.700 2.800 1.300 peak 741 weight 0.10000E+01 volume 0.58976E-03 ppm1 8.280 ppm2 8.625 CV 1 ASSI { 742} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HN )) 2.500 0.800 0.800 peak 742 weight 0.10000E+01 volume 0.66741E-02 ppm1 8.278 ppm2 8.449 CV 1 ASSI { 744} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.500 0.800 0.800 peak 744 weight 0.10000E+01 volume 0.51848E-02 ppm1 8.278 ppm2 7.439 CV 1 ASSI { 747} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 91 and name HN )) 2.800 1.000 1.000 peak 747 weight 0.10000E+01 volume 0.30858E-02 ppm1 8.278 ppm2 2.742 CV 1 OR { 747} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 91 and name HN )) ASSI { 750} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 91 and name HN )) 2.200 0.600 0.600 peak 750 weight 0.10000E+01 volume 0.14583E-01 ppm1 8.278 ppm2 1.550 CV 1 ASSI { 775} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 5.000 3.200 1.000 peak 775 weight 0.10000E+01 volume 0.49872E-03 ppm1 9.483 ppm2 8.690 CV 1 ASSI { 777} (( segid " " and resid 35 and name HN )) (( segid " " and resid 29 and name HN )) 3.100 1.200 1.200 peak 777 weight 0.10000E+01 volume 0.17500E-02 ppm1 9.482 ppm2 8.025 CV 1 ASSI { 780} (( segid " " and resid 36 and name HA )) (( segid " " and resid 29 and name HN )) 3.400 1.500 1.500 peak 780 weight 0.10000E+01 volume 0.16068E-02 ppm1 9.482 ppm2 5.222 CV 1 ASSI { 781} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.300 0.700 0.700 peak 781 weight 0.10000E+01 volume 0.80874E-02 ppm1 9.481 ppm2 4.752 CV 1 ASSI { 782} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 3.000 1.100 1.100 peak 782 weight 0.10000E+01 volume 0.21945E-02 ppm1 9.482 ppm2 4.579 CV 1 ASSI { 785} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 3.800 1.800 1.800 peak 785 weight 0.10000E+01 volume 0.44267E-03 ppm1 9.483 ppm2 2.959 CV 1 OR { 785} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HN )) ASSI { 787} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 29 and name HN )) 6.000 4.600 0.000 peak 787 weight 0.10000E+01 volume 0.32189E-03 ppm1 9.479 ppm2 2.323 CV 1 OR { 787} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 29 and name HN )) ASSI { 789} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 29 and name HN )) 4.400 2.400 1.600 peak 789 weight 0.10000E+01 volume 0.51062E-03 ppm1 9.481 ppm2 1.885 CV 1 ASSI { 790} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) 3.500 1.500 1.500 peak 790 weight 0.10000E+01 volume 0.13767E-02 ppm1 9.480 ppm2 1.722 CV 1 ASSI { 792} (( segid " " and resid 28 and name HG )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 792 weight 0.10000E+01 volume 0.16934E-02 ppm1 9.482 ppm2 1.016 CV 1 ASSI { 793} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 29 and name HN )) 5.300 3.600 0.700 peak 793 weight 0.10000E+01 volume 0.58164E-03 ppm1 9.482 ppm2 0.807 CV 1 ASSI { 794} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HN )) 3.200 1.300 1.300 peak 794 weight 0.10000E+01 volume 0.18596E-02 ppm1 9.480 ppm2 0.649 CV 1 ASSI { 798} (( segid " " and resid 142 and name HN )) (( segid " " and resid 120 and name HN )) 3.100 1.200 1.200 peak 798 weight 0.10000E+01 volume 0.71071E-03 ppm1 9.163 ppm2 8.847 CV 1 ASSI { 801} (( segid " " and resid 139 and name HA )) (( segid " " and resid 120 and name HN )) 4.700 2.800 1.300 peak 801 weight 0.10000E+01 volume 0.54069E-03 ppm1 9.164 ppm2 5.158 CV 1 ASSI { 803} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HN )) 1.900 0.400 0.400 peak 803 weight 0.10000E+01 volume 0.89870E-02 ppm1 9.162 ppm2 4.701 CV 1 ASSI { 805} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 120 and name HN )) 3.700 1.700 1.700 peak 805 weight 0.10000E+01 volume 0.18528E-02 ppm1 9.162 ppm2 1.973 CV 1 ASSI { 806} (( segid " " and resid 140 and name HB )) (( segid " " and resid 120 and name HN )) 4.600 2.600 1.400 peak 806 weight 0.10000E+01 volume 0.88158E-03 ppm1 9.162 ppm2 1.800 CV 1 ASSI { 820} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.100 0.600 0.600 peak 820 weight 0.10000E+01 volume 0.64315E-02 ppm1 7.352 ppm2 8.582 CV 1 ASSI { 828} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 828 weight 0.10000E+01 volume 0.13236E-02 ppm1 7.352 ppm2 4.070 CV 1 ASSI { 834} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.700 2.700 1.300 peak 834 weight 0.10000E+01 volume 0.33121E-03 ppm1 7.353 ppm2 1.587 CV 1 ASSI { 837} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 837 weight 0.10000E+01 volume 0.18885E-02 ppm1 7.352 ppm2 0.564 CV 1 OR { 837} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 868} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 2.100 0.600 0.600 peak 868 weight 0.10000E+01 volume 0.15235E-01 ppm1 8.312 ppm2 4.697 CV 1 ASSI { 871} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 871 weight 0.10000E+01 volume 0.75302E-02 ppm1 8.310 ppm2 1.434 CV 1 ASSI { 872} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 46 and name HN )) 3.300 1.400 1.400 peak 872 weight 0.10000E+01 volume 0.23945E-02 ppm1 8.310 ppm2 0.992 CV 1 ASSI { 873} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 46 and name HN )) 3.800 1.800 1.800 peak 873 weight 0.10000E+01 volume 0.46681E-03 ppm1 8.310 ppm2 0.693 CV 1 ASSI { 894} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 3.900 1.900 1.900 peak 894 weight 0.10000E+01 volume 0.10378E-02 ppm1 8.249 ppm2 9.229 CV 1 ASSI { 896} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 896 weight 0.10000E+01 volume 0.81063E-03 ppm1 8.250 ppm2 6.986 CV 1 ASSI { 910} (( segid " " and resid 112 and name HN )) (( segid " " and resid 69 and name HN )) 3.300 1.300 1.300 peak 910 weight 0.10000E+01 volume 0.16388E-02 ppm1 9.229 ppm2 7.934 CV 1 ASSI { 911} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.000 0.500 0.500 peak 911 weight 0.10000E+01 volume 0.12891E-01 ppm1 9.229 ppm2 4.754 CV 1 ASSI { 912} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 912 weight 0.10000E+01 volume 0.34470E-02 ppm1 9.230 ppm2 4.603 CV 1 ASSI { 913} (( segid " " and resid 67 and name HA )) (( segid " " and resid 69 and name HN )) 5.300 3.600 0.700 peak 913 weight 0.10000E+01 volume 0.29264E-03 ppm1 9.229 ppm2 4.401 CV 1 ASSI { 915} (( segid " " and resid 112 and name HB )) (( segid " " and resid 69 and name HN )) 3.400 1.500 1.500 peak 915 weight 0.10000E+01 volume 0.24103E-02 ppm1 9.230 ppm2 1.897 CV 1 ASSI { 923} (( segid " " and resid 69 and name HN )) (( segid " " and resid 123 and name HN )) 4.400 2.500 1.600 peak 923 weight 0.10000E+01 volume 0.11010E-02 ppm1 9.000 ppm2 9.184 CV 1 ASSI { 937} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 4.800 2.800 1.200 peak 937 weight 0.10000E+01 volume 0.46478E-03 ppm1 8.999 ppm2 8.206 CV 1 ASSI { 938} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 123 and name HN )) 4.900 3.000 1.100 peak 938 weight 0.10000E+01 volume 0.32148E-03 ppm1 9.001 ppm2 6.927 CV 1 ASSI { 939} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 123 and name HN )) 3.200 1.200 1.200 peak 939 weight 0.10000E+01 volume 0.25617E-02 ppm1 8.999 ppm2 6.669 CV 1 ASSI { 943} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 123 and name HN )) 3.300 1.400 1.400 peak 943 weight 0.10000E+01 volume 0.81399E-03 ppm1 9.000 ppm2 3.045 CV 1 ASSI { 944} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HN )) 2.700 0.900 0.900 peak 944 weight 0.10000E+01 volume 0.22281E-02 ppm1 8.999 ppm2 2.792 CV 1 ASSI { 948} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 123 and name HN )) 4.400 2.400 1.600 peak 948 weight 0.10000E+01 volume 0.65817E-03 ppm1 8.998 ppm2 0.833 CV 1 OR { 948} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 123 and name HN )) ASSI { 951} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 123 and name HN )) 3.600 1.700 1.700 peak 951 weight 0.10000E+01 volume 0.10003E-02 ppm1 8.999 ppm2 -0.229 CV 1 ASSI { 954} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.200 0.600 0.600 peak 954 weight 0.10000E+01 volume 0.94787E-02 ppm1 8.236 ppm2 4.728 CV 1 ASSI { 968} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 32 and name HN )) 4.800 2.800 1.200 peak 968 weight 0.10000E+01 volume 0.37395E-03 ppm1 8.459 ppm2 3.696 CV 1 OR { 968} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 972} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 11 and name HN )) 5.500 3.700 0.500 peak 972 weight 0.10000E+01 volume 0.47451E-03 ppm1 8.232 ppm2 2.253 CV 1 ASSI { 973} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 11 and name HN )) 4.200 2.200 1.800 peak 973 weight 0.10000E+01 volume 0.32023E-03 ppm1 8.231 ppm2 2.064 CV 1 ASSI { 974} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 974 weight 0.10000E+01 volume 0.36745E-03 ppm1 8.231 ppm2 1.951 CV 1 ASSI { 976} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HN )) 4.600 2.600 1.400 peak 976 weight 0.10000E+01 volume 0.28094E-03 ppm1 8.232 ppm2 0.845 CV 1 ASSI { 988} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.400 0.700 0.700 peak 988 weight 0.10000E+01 volume 0.35993E-02 ppm1 8.460 ppm2 7.848 CV 1 ASSI { 989} (( segid " " and resid 141 and name HA )) (( segid " " and resid 32 and name HN )) 5.000 3.100 1.000 peak 989 weight 0.10000E+01 volume 0.31698E-03 ppm1 8.460 ppm2 4.985 CV 1 ASSI { 990} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 990 weight 0.10000E+01 volume 0.31529E-02 ppm1 8.459 ppm2 4.720 CV 1 ASSI { 992} (( segid " " and resid 140 and name HA )) (( segid " " and resid 32 and name HN )) 3.900 1.900 1.900 peak 992 weight 0.10000E+01 volume 0.54036E-03 ppm1 8.459 ppm2 4.239 CV 1 ASSI { 993} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.500 0.800 0.800 peak 993 weight 0.10000E+01 volume 0.22506E-02 ppm1 8.459 ppm2 4.050 CV 1 ASSI { 995} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.500 0.800 0.800 peak 995 weight 0.10000E+01 volume 0.24788E-02 ppm1 8.459 ppm2 2.190 CV 1 ASSI { 996} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 32 and name HN )) 4.200 2.200 1.800 peak 996 weight 0.10000E+01 volume 0.34843E-03 ppm1 8.459 ppm2 2.022 CV 1 OR { 996} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 32 and name HN )) ASSI { 1055} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.300 2.300 1.700 peak 1055 weight 0.10000E+01 volume 0.58730E-03 ppm1 8.832 ppm2 4.047 CV 1 ASSI { 1080} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HN )) 4.400 2.400 1.600 peak 1080 weight 0.10000E+01 volume 0.39307E-03 ppm1 8.865 ppm2 9.601 CV 1 ASSI { 1081} (( segid " " and resid 113 and name HN )) (( segid " " and resid 125 and name HN )) 4.400 2.500 1.600 peak 1081 weight 0.10000E+01 volume 0.58344E-03 ppm1 8.864 ppm2 9.383 CV 1 ASSI { 1082} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 125 and name HN )) 3.900 1.900 1.900 peak 1082 weight 0.10000E+01 volume 0.81309E-03 ppm1 8.864 ppm2 6.931 CV 1 ASSI { 1086} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HN )) 2.600 0.800 0.800 peak 1086 weight 0.10000E+01 volume 0.26267E-02 ppm1 8.863 ppm2 0.641 CV 1 ASSI { 1090} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HN )) 4.600 2.600 1.400 peak 1090 weight 0.10000E+01 volume 0.41777E-03 ppm1 8.375 ppm2 9.264 CV 1 ASSI { 1110} (( segid " " and resid 125 and name HB )) (( segid " " and resid 134 and name HN )) 4.000 2.000 2.000 peak 1110 weight 0.10000E+01 volume 0.33236E-03 ppm1 8.609 ppm2 1.670 CV 1 ASSI { 1111} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 134 and name HN )) 5.400 3.700 0.600 peak 1111 weight 0.10000E+01 volume 0.36812E-03 ppm1 8.594 ppm2 1.911 CV 1 ASSI { 1113} (( segid " " and resid 114 and name HN )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 1113 weight 0.10000E+01 volume 0.24707E-02 ppm1 8.377 ppm2 9.002 CV 1 ASSI { 1117} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 1117 weight 0.10000E+01 volume 0.15749E-02 ppm1 8.376 ppm2 8.224 CV 1 ASSI { 1120} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 67 and name HN )) 3.900 1.900 1.900 peak 1120 weight 0.10000E+01 volume 0.15260E-02 ppm1 8.377 ppm2 6.996 CV 1 ASSI { 1122} (( segid " " and resid 115 and name HA )) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 1122 weight 0.10000E+01 volume 0.12929E-02 ppm1 8.377 ppm2 5.271 CV 1 ASSI { 1124} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 1124 weight 0.10000E+01 volume 0.29691E-02 ppm1 8.377 ppm2 4.386 CV 1 ASSI { 1126} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 1126 weight 0.10000E+01 volume 0.29727E-02 ppm1 8.377 ppm2 2.783 CV 1 ASSI { 1129} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 67 and name HN )) 4.400 2.400 1.600 peak 1129 weight 0.10000E+01 volume 0.34820E-03 ppm1 8.377 ppm2 0.984 CV 1 ASSI { 1137} (( segid " " and resid 128 and name HN )) (( segid " " and resid 134 and name HN )) 4.700 2.700 1.300 peak 1137 weight 0.10000E+01 volume 0.72835E-03 ppm1 8.609 ppm2 9.576 CV 1 ASSI { 1138} (( segid " " and resid 126 and name HN )) (( segid " " and resid 134 and name HN )) 2.700 0.900 0.900 peak 1138 weight 0.10000E+01 volume 0.26728E-02 ppm1 8.609 ppm2 9.019 CV 1 ASSI { 1142} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HN )) 4.700 2.800 1.300 peak 1142 weight 0.10000E+01 volume 0.36911E-03 ppm1 8.611 ppm2 6.798 CV 1 ASSI { 1147} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HN )) 2.900 1.000 1.000 peak 1147 weight 0.10000E+01 volume 0.17759E-02 ppm1 8.609 ppm2 4.125 CV 1 ASSI { 1148} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 134 and name HN )) 3.600 1.600 1.600 peak 1148 weight 0.10000E+01 volume 0.10718E-02 ppm1 8.609 ppm2 2.202 CV 1 ASSI { 1150} (( segid " " and resid 133 and name HG )) (( segid " " and resid 134 and name HN )) 3.800 1.800 1.800 peak 1150 weight 0.10000E+01 volume 0.18161E-02 ppm1 8.608 ppm2 1.182 CV 1 ASSI { 1154} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 134 and name HN )) 3.400 1.500 1.500 peak 1154 weight 0.10000E+01 volume 0.18227E-02 ppm1 8.607 ppm2 0.561 CV 1 ASSI { 1156} (( segid " " and resid 29 and name HN )) (( segid " " and resid 139 and name HN )) 4.900 3.100 1.100 peak 1156 weight 0.10000E+01 volume 0.33648E-03 ppm1 8.551 ppm2 9.445 CV 1 ASSI { 1163} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 1163 weight 0.10000E+01 volume 0.13552E-02 ppm1 8.552 ppm2 8.357 CV 1 ASSI { 1164} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 139 and name HN )) 4.000 2.000 2.000 peak 1164 weight 0.10000E+01 volume 0.13522E-02 ppm1 8.549 ppm2 7.221 CV 1 ASSI { 1165} (( segid " " and resid 37 and name HA )) (( segid " " and resid 139 and name HN )) 5.100 3.200 0.900 peak 1165 weight 0.10000E+01 volume 0.28440E-03 ppm1 8.553 ppm2 5.894 CV 1 ASSI { 1167} (( segid " " and resid 35 and name HA )) (( segid " " and resid 139 and name HN )) 4.900 3.000 1.100 peak 1167 weight 0.10000E+01 volume 0.69001E-03 ppm1 8.549 ppm2 4.974 CV 1 ASSI { 1168} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) 2.600 0.800 0.800 peak 1168 weight 0.10000E+01 volume 0.44805E-02 ppm1 8.549 ppm2 4.672 CV 1 ASSI { 1170} (( segid " " and resid 138 and name HB )) (( segid " " and resid 139 and name HN )) 3.800 1.800 1.800 peak 1170 weight 0.10000E+01 volume 0.15575E-02 ppm1 8.549 ppm2 3.808 CV 1 ASSI { 1172} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 139 and name HN )) 2.700 0.900 0.900 peak 1172 weight 0.10000E+01 volume 0.25220E-02 ppm1 8.551 ppm2 2.949 CV 1 ASSI { 1174} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HN )) 3.200 1.300 1.300 peak 1174 weight 0.10000E+01 volume 0.12515E-02 ppm1 8.550 ppm2 1.180 CV 1 OR { 1174} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 139 and name HN )) ASSI { 1175} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 139 and name HN )) 3.400 1.400 1.400 peak 1175 weight 0.10000E+01 volume 0.34370E-02 ppm1 8.549 ppm2 0.968 CV 1 OR { 1175} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 139 and name HN )) ASSI { 1177} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 139 and name HN )) 3.600 1.600 1.600 peak 1177 weight 0.10000E+01 volume 0.25271E-02 ppm1 8.549 ppm2 0.316 CV 1 OR { 1177} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HN )) ASSI { 1196} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HN )) 4.300 2.300 1.700 peak 1196 weight 0.10000E+01 volume 0.51518E-03 ppm1 8.199 ppm2 9.092 CV 1 ASSI { 1198} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 1198 weight 0.10000E+01 volume 0.35314E-02 ppm1 8.198 ppm2 8.491 CV 1 ASSI { 1201} (( segid " " and resid 112 and name HN )) (( segid " " and resid 74 and name HN )) 3.900 1.900 1.900 peak 1201 weight 0.10000E+01 volume 0.10609E-02 ppm1 8.199 ppm2 7.933 CV 1 ASSI { 1202} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 1202 weight 0.10000E+01 volume 0.35647E-02 ppm1 8.198 ppm2 7.772 CV 1 ASSI { 1203} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HN )) 4.000 2.000 2.000 peak 1203 weight 0.10000E+01 volume 0.50300E-03 ppm1 8.197 ppm2 7.508 CV 1 ASSI { 1204} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 74 and name HN )) 4.100 2.100 1.900 peak 1204 weight 0.10000E+01 volume 0.18125E-02 ppm1 8.198 ppm2 6.527 CV 1 ASSI { 1207} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 1207 weight 0.10000E+01 volume 0.39048E-02 ppm1 8.199 ppm2 4.006 CV 1 OR { 1207} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 74 and name HN )) ASSI { 1209} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.300 0.600 0.600 peak 1209 weight 0.10000E+01 volume 0.58799E-02 ppm1 8.199 ppm2 3.045 CV 1 ASSI { 1210} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HN )) 2.400 0.700 0.700 peak 1210 weight 0.10000E+01 volume 0.54617E-02 ppm1 8.199 ppm2 2.855 CV 1 ASSI { 1212} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 1212 weight 0.10000E+01 volume 0.14065E-02 ppm1 8.199 ppm2 0.778 CV 1 ASSI { 1213} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 74 and name HN )) 3.500 1.600 1.600 peak 1213 weight 0.10000E+01 volume 0.15486E-02 ppm1 8.198 ppm2 0.624 CV 1 ASSI { 1214} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 74 and name HN )) 5.000 3.100 1.000 peak 1214 weight 0.10000E+01 volume 0.44121E-03 ppm1 8.200 ppm2 -0.227 CV 1 ASSI { 1215} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 74 and name HN )) 6.000 4.500 0.000 peak 1215 weight 0.10000E+01 volume 0.29814E-03 ppm1 8.195 ppm2 7.315 CV 1 ASSI { 1228} (( segid " " and resid 128 and name HN )) (( segid " " and resid 108 and name HN )) 4.300 2.300 1.700 peak 1228 weight 0.10000E+01 volume 0.48567E-03 ppm1 9.202 ppm2 9.607 CV 1 ASSI { 1230} (( segid " " and resid 126 and name HN )) (( segid " " and resid 108 and name HN )) 4.800 2.800 1.200 peak 1230 weight 0.10000E+01 volume 0.76815E-03 ppm1 9.201 ppm2 9.030 CV 1 ASSI { 1231} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HN )) 3.400 1.400 1.400 peak 1231 weight 0.10000E+01 volume 0.29100E-02 ppm1 9.202 ppm2 8.606 CV 1 ASSI { 1233} (( segid " " and resid 107 and name HN )) (( segid " " and resid 108 and name HN )) 4.500 2.500 1.500 peak 1233 weight 0.10000E+01 volume 0.61827E-03 ppm1 9.201 ppm2 8.013 CV 1 ASSI { 1234} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HN )) 2.400 0.700 0.700 peak 1234 weight 0.10000E+01 volume 0.86525E-02 ppm1 9.202 ppm2 4.826 CV 1 ASSI { 1235} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HN )) 2.900 1.100 1.100 peak 1235 weight 0.10000E+01 volume 0.23894E-02 ppm1 9.201 ppm2 4.340 CV 1 ASSI { 1236} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 108 and name HN )) 4.100 2.100 1.900 peak 1236 weight 0.10000E+01 volume 0.57120E-03 ppm1 9.202 ppm2 3.406 CV 1 ASSI { 1237} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 108 and name HN )) 4.500 2.500 1.500 peak 1237 weight 0.10000E+01 volume 0.25138E-03 ppm1 9.200 ppm2 2.296 CV 1 ASSI { 1238} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 108 and name HN )) 4.900 3.000 1.100 peak 1238 weight 0.10000E+01 volume 0.49457E-03 ppm1 9.202 ppm2 2.144 CV 1 ASSI { 1239} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HN )) 2.300 0.700 0.700 peak 1239 weight 0.10000E+01 volume 0.72727E-02 ppm1 9.201 ppm2 1.755 CV 1 OR { 1239} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HN )) ASSI { 1240} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HN )) 4.200 2.200 1.800 peak 1240 weight 0.10000E+01 volume 0.18609E-02 ppm1 9.201 ppm2 1.480 CV 1 ASSI { 1241} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 108 and name HN )) 4.500 2.500 1.500 peak 1241 weight 0.10000E+01 volume 0.18123E-02 ppm1 9.201 ppm2 0.785 CV 1 ASSI { 1242} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 108 and name HN )) 3.200 1.300 1.300 peak 1242 weight 0.10000E+01 volume 0.25361E-02 ppm1 9.201 ppm2 0.537 CV 1 ASSI { 1243} (( segid " " and resid 112 and name HA )) (( segid " " and resid 74 and name HN )) 5.400 3.700 0.600 peak 1243 weight 0.10000E+01 volume 0.31596E-03 ppm1 8.213 ppm2 4.826 CV 1 ASSI { 1244} (( segid " " and resid 69 and name HA )) (( segid " " and resid 74 and name HN )) 6.000 4.700 0.000 peak 1244 weight 0.10000E+01 volume 0.28404E-03 ppm1 8.198 ppm2 4.573 CV 1 ASSI { 1251} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 4.000 2.000 2.000 peak 1251 weight 0.10000E+01 volume 0.65093E-03 ppm1 7.668 ppm2 8.281 CV 1 ASSI { 1253} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 1253 weight 0.10000E+01 volume 0.52288E-02 ppm1 7.668 ppm2 7.876 CV 1 ASSI { 1261} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HN )) 5.300 3.400 0.700 peak 1261 weight 0.10000E+01 volume 0.26459E-03 ppm1 7.668 ppm2 3.477 CV 1 ASSI { 1262} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.100 0.500 0.500 peak 1262 weight 0.10000E+01 volume 0.11096E-01 ppm1 7.668 ppm2 2.286 CV 1 OR { 1262} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HN )) OR { 1262} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HN )) ASSI { 1263} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 1263 weight 0.10000E+01 volume 0.39371E-02 ppm1 7.668 ppm2 1.930 CV 1 ASSI { 1267} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 15 and name HN )) 4.800 2.800 1.200 peak 1267 weight 0.10000E+01 volume 0.26461E-03 ppm1 7.668 ppm2 1.202 CV 1 ASSI { 1268} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 1268 weight 0.10000E+01 volume 0.47704E-03 ppm1 7.667 ppm2 0.840 CV 1 ASSI { 1291} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 1291 weight 0.10000E+01 volume 0.49045E-02 ppm1 8.587 ppm2 8.378 CV 1 ASSI { 1292} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.300 0.700 0.700 peak 1292 weight 0.10000E+01 volume 0.50174E-02 ppm1 8.587 ppm2 8.299 CV 1 ASSI { 1300} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 21 and name HN )) 4.100 2.100 1.900 peak 1300 weight 0.10000E+01 volume 0.15544E-02 ppm1 8.587 ppm2 0.515 CV 1 OR { 1300} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 21 and name HN )) ASSI { 1330} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.600 0.900 0.900 peak 1330 weight 0.10000E+01 volume 0.26738E-02 ppm1 8.699 ppm2 1.539 CV 1 ASSI { 1331} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HN )) 3.500 1.600 1.600 peak 1331 weight 0.10000E+01 volume 0.32018E-02 ppm1 8.699 ppm2 1.314 CV 1 OR { 1331} (( segid " " and resid 27 and name HG )) (( segid " " and resid 28 and name HN )) ASSI { 1332} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 1332 weight 0.10000E+01 volume 0.20770E-02 ppm1 8.699 ppm2 1.016 CV 1 ASSI { 1336} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 1336 weight 0.10000E+01 volume 0.42647E-02 ppm1 8.525 ppm2 8.329 CV 1 ASSI { 1339} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 1339 weight 0.10000E+01 volume 0.40397E-02 ppm1 8.521 ppm2 7.670 CV 1 ASSI { 1342} (( segid " " and resid 99 and name HA )) (( segid " " and resid 102 and name HN )) 3.400 1.400 1.400 peak 1342 weight 0.10000E+01 volume 0.19306E-02 ppm1 8.526 ppm2 3.753 CV 1 ASSI { 1352} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 102 and name HN )) 3.300 1.400 1.400 peak 1352 weight 0.10000E+01 volume 0.31455E-02 ppm1 8.524 ppm2 0.679 CV 1 ASSI { 1369} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 1369 weight 0.10000E+01 volume 0.16324E-02 ppm1 8.697 ppm2 7.566 CV 1 ASSI { 1379} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 3.600 1.700 1.700 peak 1379 weight 0.10000E+01 volume 0.12632E-02 ppm1 6.991 ppm2 8.693 CV 1 ASSI { 1381} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 85 and name HN )) 3.600 1.700 1.700 peak 1381 weight 0.10000E+01 volume 0.10657E-02 ppm1 6.989 ppm2 7.380 CV 1 ASSI { 1382} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 85 and name HN )) 2.700 0.900 0.900 peak 1382 weight 0.10000E+01 volume 0.18661E-02 ppm1 6.990 ppm2 7.163 CV 1 ASSI { 1385} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 85 and name HN )) 2.600 0.800 0.800 peak 1385 weight 0.10000E+01 volume 0.43847E-02 ppm1 6.990 ppm2 6.471 CV 1 ASSI { 1387} (( segid " " and resid 82 and name HN )) (( segid " " and resid 85 and name HN )) 4.500 2.500 1.500 peak 1387 weight 0.10000E+01 volume 0.53811E-03 ppm1 6.991 ppm2 5.220 CV 1 ASSI { 1389} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.600 0.800 0.800 peak 1389 weight 0.10000E+01 volume 0.37413E-02 ppm1 6.990 ppm2 4.317 CV 1 ASSI { 1391} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 85 and name HN )) 3.800 1.800 1.800 peak 1391 weight 0.10000E+01 volume 0.82980E-03 ppm1 6.990 ppm2 3.629 CV 1 ASSI { 1393} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HN )) 3.000 1.100 1.100 peak 1393 weight 0.10000E+01 volume 0.48505E-02 ppm1 6.990 ppm2 2.963 CV 1 ASSI { 1394} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 85 and name HN )) 4.700 2.800 1.300 peak 1394 weight 0.10000E+01 volume 0.76472E-03 ppm1 6.989 ppm2 2.700 CV 1 OR { 1394} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 85 and name HN )) ASSI { 1397} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 85 and name HN )) 4.000 2.000 2.000 peak 1397 weight 0.10000E+01 volume 0.85460E-03 ppm1 6.990 ppm2 0.694 CV 1 ASSI { 1398} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 85 and name HN )) 5.300 3.400 0.700 peak 1398 weight 0.10000E+01 volume 0.99481E-03 ppm1 6.990 ppm2 -0.492 CV 1 ASSI { 1422} (( segid " " and resid 88 and name HN )) (( segid " " and resid 86 and name HN )) 5.000 3.100 1.000 peak 1422 weight 0.10000E+01 volume 0.40497E-03 ppm1 8.695 ppm2 9.067 CV 1 ASSI { 1424} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 3.700 1.700 1.700 peak 1424 weight 0.10000E+01 volume 0.17400E-02 ppm1 8.695 ppm2 8.527 CV 1 ASSI { 1425} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 86 and name HN )) 4.600 2.600 1.400 peak 1425 weight 0.10000E+01 volume 0.34401E-03 ppm1 8.696 ppm2 7.365 CV 1 ASSI { 1438} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 2.500 0.800 0.800 peak 1438 weight 0.10000E+01 volume 0.32187E-02 ppm1 7.891 ppm2 9.098 CV 1 ASSI { 1440} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.200 0.600 0.600 peak 1440 weight 0.10000E+01 volume 0.56588E-02 ppm1 7.890 ppm2 8.495 CV 1 ASSI { 1445} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HN )) 3.600 1.600 1.600 peak 1445 weight 0.10000E+01 volume 0.11055E-02 ppm1 7.891 ppm2 7.718 CV 1 ASSI { 1451} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 1451 weight 0.10000E+01 volume 0.18167E-02 ppm1 7.891 ppm2 2.907 CV 1 ASSI { 1453} (( segid " " and resid 71 and name HB )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 1453 weight 0.10000E+01 volume 0.14053E-02 ppm1 7.891 ppm2 1.656 CV 1 ASSI { 1455} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 72 and name HN )) 4.600 2.600 1.400 peak 1455 weight 0.10000E+01 volume 0.85847E-03 ppm1 7.891 ppm2 1.356 CV 1 ASSI { 1457} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 72 and name HN )) 3.800 1.800 1.800 peak 1457 weight 0.10000E+01 volume 0.10374E-02 ppm1 7.891 ppm2 0.616 CV 1 ASSI { 1479} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 86 and name HN )) 2.800 1.000 1.000 peak 1479 weight 0.10000E+01 volume 0.14426E-02 ppm1 8.692 ppm2 3.166 CV 1 ASSI { 1480} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HN )) 2.800 1.000 1.000 peak 1480 weight 0.10000E+01 volume 0.20931E-02 ppm1 8.692 ppm2 2.961 CV 1 ASSI { 1483} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HN )) 2.600 0.900 0.900 peak 1483 weight 0.10000E+01 volume 0.31754E-02 ppm1 8.692 ppm2 2.137 CV 1 ASSI { 1484} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 86 and name HN )) 4.400 2.400 1.600 peak 1484 weight 0.10000E+01 volume 0.14869E-02 ppm1 8.694 ppm2 1.965 CV 1 OR { 1484} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 86 and name HN )) ASSI { 1487} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 86 and name HN )) 5.200 3.400 0.800 peak 1487 weight 0.10000E+01 volume 0.59969E-03 ppm1 8.689 ppm2 6.588 CV 1 ASSI { 1488} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 86 and name HN )) 3.600 1.600 1.600 peak 1488 weight 0.10000E+01 volume 0.21856E-02 ppm1 8.690 ppm2 6.462 CV 1 ASSI { 1493} (( segid " " and resid 137 and name HN )) (( segid " " and resid 40 and name HN )) 4.800 2.900 1.200 peak 1493 weight 0.10000E+01 volume 0.67278E-03 ppm1 8.202 ppm2 10.012 CV 1 ASSI { 1499} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HN )) 4.500 2.600 1.500 peak 1499 weight 0.10000E+01 volume 0.34137E-03 ppm1 7.892 ppm2 7.436 CV 1 ASSI { 1529} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 1529 weight 0.10000E+01 volume 0.15611E-02 ppm1 8.200 ppm2 9.095 CV 1 ASSI { 1530} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 3.400 1.400 1.400 peak 1530 weight 0.10000E+01 volume 0.19467E-02 ppm1 8.204 ppm2 8.677 CV 1 ASSI { 1535} (( segid " " and resid 135 and name HN )) (( segid " " and resid 40 and name HN )) 2.500 0.800 0.800 peak 1535 weight 0.10000E+01 volume 0.20785E-02 ppm1 8.204 ppm2 6.800 CV 1 ASSI { 1536} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HN )) 2.400 0.700 0.700 peak 1536 weight 0.10000E+01 volume 0.23690E-02 ppm1 8.204 ppm2 6.064 CV 1 ASSI { 1542} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 70 and name HN )) 2.600 0.900 0.900 peak 1542 weight 0.10000E+01 volume 0.50402E-02 ppm1 8.202 ppm2 0.772 CV 1 ASSI { 1571} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 4.300 2.300 1.700 peak 1571 weight 0.10000E+01 volume 0.69845E-03 ppm1 8.500 ppm2 9.176 CV 1 ASSI { 1574} (( segid " " and resid 139 and name HA )) (( segid " " and resid 121 and name HN )) 5.200 3.300 0.800 peak 1574 weight 0.10000E+01 volume 0.35532E-03 ppm1 8.505 ppm2 5.164 CV 1 ASSI { 1576} (( segid " " and resid 119 and name HA )) (( segid " " and resid 121 and name HN )) 4.100 2.100 1.900 peak 1576 weight 0.10000E+01 volume 0.11151E-02 ppm1 8.501 ppm2 4.736 CV 1 ASSI { 1577} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HN )) 3.000 1.100 1.100 peak 1577 weight 0.10000E+01 volume 0.18384E-02 ppm1 8.501 ppm2 2.763 CV 1 ASSI { 1579} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 121 and name HN )) 3.700 1.700 1.700 peak 1579 weight 0.10000E+01 volume 0.15506E-02 ppm1 8.501 ppm2 1.605 CV 1 OR { 1579} (( segid " " and resid 115 and name HG )) (( segid " " and resid 121 and name HN )) OR { 1579} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 121 and name HN )) ASSI { 1580} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 121 and name HN )) 3.500 1.600 1.600 peak 1580 weight 0.10000E+01 volume 0.84941E-03 ppm1 8.501 ppm2 1.310 CV 1 ASSI { 1584} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.000 1.100 1.100 peak 1584 weight 0.10000E+01 volume 0.18495E-02 ppm1 8.297 ppm2 8.027 CV 1 ASSI { 1585} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HN )) 2.900 1.100 1.100 peak 1585 weight 0.10000E+01 volume 0.93499E-03 ppm1 8.197 ppm2 3.998 CV 1 OR { 1585} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 70 and name HN )) ASSI { 1600} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 1600 weight 0.10000E+01 volume 0.28394E-02 ppm1 9.225 ppm2 10.014 CV 1 ASSI { 1601} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 1601 weight 0.10000E+01 volume 0.15824E-02 ppm1 9.225 ppm2 9.379 CV 1 ASSI { 1604} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 38 and name HN )) 4.400 2.400 1.600 peak 1604 weight 0.10000E+01 volume 0.14487E-02 ppm1 9.226 ppm2 7.323 CV 1 ASSI { 1606} (( segid " " and resid 136 and name HA )) (( segid " " and resid 38 and name HN )) 3.300 1.400 1.400 peak 1606 weight 0.10000E+01 volume 0.11265E-02 ppm1 9.226 ppm2 5.699 CV 1 ASSI { 1612} (( segid " " and resid 138 and name HB )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 1612 weight 0.10000E+01 volume 0.82097E-03 ppm1 9.224 ppm2 3.815 CV 1 ASSI { 1613} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 1613 weight 0.10000E+01 volume 0.25594E-02 ppm1 9.224 ppm2 2.965 CV 1 OR { 1613} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1615} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 1615 weight 0.10000E+01 volume 0.42944E-03 ppm1 9.224 ppm2 0.763 CV 1 ASSI { 1616} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 38 and name HN )) 5.900 4.400 0.100 peak 1616 weight 0.10000E+01 volume 0.32233E-03 ppm1 9.219 ppm2 0.497 CV 1 ASSI { 1617} ( segid " " and resid 136 and name HD1%) (( segid " " and resid 38 and name HN )) 5.700 4.100 0.300 peak 1617 weight 0.10000E+01 volume 0.26236E-03 ppm1 9.221 ppm2 0.342 CV 1 ASSI { 1620} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HN )) 2.500 0.800 0.800 peak 1620 weight 0.10000E+01 volume 0.48475E-02 ppm1 8.732 ppm2 7.918 CV 1 ASSI { 1621} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 96 and name HN )) 3.800 1.800 1.800 peak 1621 weight 0.10000E+01 volume 0.33182E-02 ppm1 8.733 ppm2 7.458 CV 1 ASSI { 1622} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 1622 weight 0.10000E+01 volume 0.47489E-02 ppm1 8.732 ppm2 4.103 CV 1 ASSI { 1623} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 96 and name HN )) 2.600 0.800 0.800 peak 1623 weight 0.10000E+01 volume 0.48349E-02 ppm1 8.732 ppm2 3.327 CV 1 ASSI { 1624} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 1624 weight 0.10000E+01 volume 0.35064E-02 ppm1 8.732 ppm2 2.820 CV 1 ASSI { 1625} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 96 and name HN )) 3.000 1.200 1.200 peak 1625 weight 0.10000E+01 volume 0.24538E-02 ppm1 8.731 ppm2 2.102 CV 1 OR { 1625} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 96 and name HN )) ASSI { 1627} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 96 and name HN )) 4.700 2.800 1.300 peak 1627 weight 0.10000E+01 volume 0.56227E-03 ppm1 8.728 ppm2 0.813 CV 1 ASSI { 1629} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HN )) 3.500 1.500 1.500 peak 1629 weight 0.10000E+01 volume 0.11102E-02 ppm1 8.302 ppm2 9.166 CV 1 ASSI { 1634} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HN )) 2.400 0.700 0.700 peak 1634 weight 0.10000E+01 volume 0.10044E-01 ppm1 8.302 ppm2 2.620 CV 1 ASSI { 1641} (( segid " " and resid 75 and name HN )) (( segid " " and resid 70 and name HN )) 5.100 3.300 0.900 peak 1641 weight 0.10000E+01 volume 0.45654E-03 ppm1 8.200 ppm2 7.733 CV 1 ASSI { 1660} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 38 and name HN )) 6.000 4.600 0.000 peak 1660 weight 0.10000E+01 volume 0.34078E-03 ppm1 9.230 ppm2 7.158 CV 1 ASSI { 1664} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 83 and name HN )) 5.100 3.200 0.900 peak 1664 weight 0.10000E+01 volume 0.42319E-03 ppm1 8.812 ppm2 -0.490 CV 1 ASSI { 1667} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 96 and name HN )) 4.200 2.200 1.800 peak 1667 weight 0.10000E+01 volume 0.15311E-02 ppm1 8.733 ppm2 1.311 CV 1 ASSI { 1669} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 96 and name HN )) 3.500 1.600 1.600 peak 1669 weight 0.10000E+01 volume 0.93604E-03 ppm1 8.732 ppm2 0.274 CV 1 ASSI { 1689} (( segid " " and resid 143 and name HA )) (( segid " " and resid 118 and name HN )) 1.600 0.300 0.600 peak 1689 weight 0.10000E+01 volume 0.18618E-01 ppm1 8.813 ppm2 4.726 CV 1 ASSI { 1699} (( segid " " and resid 143 and name HB )) (( segid " " and resid 143 and name HN )) 2.900 1.000 1.000 peak 1699 weight 0.10000E+01 volume 0.54277E-02 ppm1 8.204 ppm2 4.186 CV 1 ASSI { 1701} (( segid " " and resid 32 and name HG1 )) (( segid " " and resid 143 and name HN )) 4.600 2.600 1.400 peak 1701 weight 0.10000E+01 volume 0.97935E-03 ppm1 8.203 ppm2 2.422 CV 1 OR { 1701} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 143 and name HN )) ASSI { 1702} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 143 and name HN )) 3.900 1.900 1.900 peak 1702 weight 0.10000E+01 volume 0.19249E-02 ppm1 8.204 ppm2 2.193 CV 1 OR { 1702} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 143 and name HN )) ASSI { 1711} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HN )) 4.200 2.200 1.800 peak 1711 weight 0.10000E+01 volume 0.91337E-03 ppm1 8.998 ppm2 3.053 CV 1 ASSI { 1712} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 114 and name HN )) 4.700 2.700 1.300 peak 1712 weight 0.10000E+01 volume 0.65745E-03 ppm1 8.998 ppm2 2.813 CV 1 ASSI { 1713} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 114 and name HN )) 3.600 1.600 1.600 peak 1713 weight 0.10000E+01 volume 0.12603E-02 ppm1 8.999 ppm2 2.544 CV 1 ASSI { 1714} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HN )) 2.600 0.900 0.900 peak 1714 weight 0.10000E+01 volume 0.23184E-02 ppm1 8.999 ppm2 1.338 CV 1 OR { 1714} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HN )) ASSI { 1716} ( segid " " and resid 112 and name HG1%) (( segid " " and resid 114 and name HN )) 4.300 2.400 1.700 peak 1716 weight 0.10000E+01 volume 0.55833E-03 ppm1 8.998 ppm2 -0.226 CV 1 ASSI { 1721} (( segid " " and resid 99 and name HA )) (( segid " " and resid 103 and name HN )) 3.300 1.400 1.400 peak 1721 weight 0.10000E+01 volume 0.61003E-03 ppm1 8.327 ppm2 3.737 CV 1 ASSI { 1724} (( segid " " and resid 102 and name HB )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 1724 weight 0.10000E+01 volume 0.29868E-02 ppm1 8.328 ppm2 2.111 CV 1 ASSI { 1726} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 103 and name HN )) 4.600 2.600 1.400 peak 1726 weight 0.10000E+01 volume 0.62349E-03 ppm1 8.327 ppm2 1.350 CV 1 OR { 1726} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 103 and name HN )) ASSI { 1727} (( segid " " and resid 100 and name HG )) (( segid " " and resid 103 and name HN )) 4.600 2.700 1.400 peak 1727 weight 0.10000E+01 volume 0.44490E-03 ppm1 8.327 ppm2 1.200 CV 1 ASSI { 1728} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HN )) 3.500 1.500 1.500 peak 1728 weight 0.10000E+01 volume 0.60680E-02 ppm1 8.327 ppm2 0.618 CV 1 OR { 1728} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HN )) ASSI { 1731} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1731 weight 0.10000E+01 volume 0.11127E-02 ppm1 8.006 ppm2 7.522 CV 1 ASSI { 1733} (( segid " " and resid 77 and name HG1 )) (( segid " " and resid 78 and name HN )) 3.100 1.200 1.200 peak 1733 weight 0.10000E+01 volume 0.16322E-02 ppm1 8.005 ppm2 1.556 CV 1 ASSI { 1736} (( segid " " and resid 86 and name HN )) (( segid " " and resid 93 and name HN )) 4.200 2.200 1.800 peak 1736 weight 0.10000E+01 volume 0.45723E-03 ppm1 7.707 ppm2 8.718 CV 1 ASSI { 1747} (( segid " " and resid 111 and name HA )) (( segid " " and resid 71 and name HN )) 2.500 0.800 0.800 peak 1747 weight 0.10000E+01 volume 0.17241E-02 ppm1 9.092 ppm2 4.700 CV 1 ASSI { 1751} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 71 and name HN )) 2.900 1.000 1.000 peak 1751 weight 0.10000E+01 volume 0.20373E-02 ppm1 9.094 ppm2 2.704 CV 1 ASSI { 1754} (( segid " " and resid 71 and name HB )) (( segid " " and resid 71 and name HN )) 2.100 0.500 0.500 peak 1754 weight 0.10000E+01 volume 0.47085E-02 ppm1 9.093 ppm2 1.688 CV 1 ASSI { 1755} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 71 and name HN )) 3.800 1.800 1.800 peak 1755 weight 0.10000E+01 volume 0.15043E-02 ppm1 9.093 ppm2 1.361 CV 1 ASSI { 1759} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.900 1.900 1.900 peak 1759 weight 0.10000E+01 volume 0.10336E-02 ppm1 8.997 ppm2 9.369 CV 1 ASSI { 1762} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 114 and name HN )) 4.300 2.300 1.700 peak 1762 weight 0.10000E+01 volume 0.86118E-03 ppm1 8.998 ppm2 6.939 CV 1 ASSI { 1765} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HN )) 2.000 0.500 0.500 peak 1765 weight 0.10000E+01 volume 0.12315E-01 ppm1 8.998 ppm2 4.799 CV 1 ASSI { 1766} (( segid " " and resid 67 and name HA )) (( segid " " and resid 114 and name HN )) 4.700 2.800 1.300 peak 1766 weight 0.10000E+01 volume 0.35040E-03 ppm1 8.997 ppm2 4.386 CV 1 ASSI { 1773} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HN )) 4.500 2.600 1.500 peak 1773 weight 0.10000E+01 volume 0.32246E-03 ppm1 8.331 ppm2 7.325 CV 1 OR { 1773} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 103 and name HN )) ASSI { 1775} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 103 and name HN )) 2.800 1.000 1.000 peak 1775 weight 0.10000E+01 volume 0.43724E-02 ppm1 8.328 ppm2 1.675 CV 1 OR { 1775} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 103 and name HN )) ASSI { 1776} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 143 and name HN )) 5.100 3.300 0.900 peak 1776 weight 0.10000E+01 volume 0.26774E-03 ppm1 8.177 ppm2 0.453 CV 1 ASSI { 1784} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 78 and name HN )) 4.200 2.200 1.800 peak 1784 weight 0.10000E+01 volume 0.39734E-03 ppm1 8.023 ppm2 2.690 CV 1 ASSI { 1785} (( segid " " and resid 28 and name HG )) (( segid " " and resid 35 and name HN )) 3.600 1.600 1.600 peak 1785 weight 0.10000E+01 volume 0.89985E-03 ppm1 8.022 ppm2 1.008 CV 1 ASSI { 1788} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HN )) 4.700 2.800 1.300 peak 1788 weight 0.10000E+01 volume 0.65653E-03 ppm1 8.010 ppm2 8.863 CV 1 ASSI { 1789} (( segid " " and resid 139 and name HN )) (( segid " " and resid 35 and name HN )) 4.800 2.900 1.200 peak 1789 weight 0.10000E+01 volume 0.68287E-03 ppm1 8.013 ppm2 8.504 CV 1 ASSI { 1791} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HN )) 3.700 1.700 1.700 peak 1791 weight 0.10000E+01 volume 0.18178E-02 ppm1 8.008 ppm2 7.850 CV 1 ASSI { 1794} (( segid " " and resid 30 and name HA )) (( segid " " and resid 35 and name HN )) 2.400 0.700 0.700 peak 1794 weight 0.10000E+01 volume 0.80746E-02 ppm1 8.012 ppm2 4.724 CV 1 ASSI { 1796} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 1796 weight 0.10000E+01 volume 0.55032E-02 ppm1 8.005 ppm2 4.003 CV 1 ASSI { 1797} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 78 and name HN )) 4.900 3.100 1.100 peak 1797 weight 0.10000E+01 volume 0.27577E-03 ppm1 8.007 ppm2 3.546 CV 1 ASSI { 1799} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 1799 weight 0.10000E+01 volume 0.11067E-02 ppm1 8.006 ppm2 1.265 CV 1 ASSI { 1819} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 3.000 1.100 1.100 peak 1819 weight 0.10000E+01 volume 0.31455E-02 ppm1 8.932 ppm2 3.655 CV 1 ASSI { 1823} ( segid " " and resid 49 and name HG1%) (( segid " " and resid 49 and name HN )) 3.000 1.100 1.100 peak 1823 weight 0.10000E+01 volume 0.39775E-02 ppm1 8.932 ppm2 0.715 CV 1 ASSI { 1825} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) 2.900 1.100 1.100 peak 1825 weight 0.10000E+01 volume 0.16908E-02 ppm1 8.826 ppm2 8.305 CV 1 ASSI { 1829} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 118 and name HN )) 4.000 2.000 2.000 peak 1829 weight 0.10000E+01 volume 0.17733E-02 ppm1 8.824 ppm2 2.193 CV 1 OR { 1829} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 118 and name HN )) ASSI { 1845} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 1845 weight 0.10000E+01 volume 0.21987E-02 ppm1 8.022 ppm2 4.987 CV 1 ASSI { 1846} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 1846 weight 0.10000E+01 volume 0.23026E-02 ppm1 8.022 ppm2 2.948 CV 1 ASSI { 1852} (( segid " " and resid 91 and name HN )) (( segid " " and resid 93 and name HN )) 4.400 2.400 1.600 peak 1852 weight 0.10000E+01 volume 0.65917E-03 ppm1 7.716 ppm2 8.267 CV 1 ASSI { 1854} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HN )) 2.500 0.800 0.800 peak 1854 weight 0.10000E+01 volume 0.51037E-02 ppm1 7.719 ppm2 7.442 CV 1 ASSI { 1855} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 93 and name HN )) 4.900 3.000 1.100 peak 1855 weight 0.10000E+01 volume 0.36617E-03 ppm1 7.718 ppm2 7.257 CV 1 ASSI { 1856} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 93 and name HN )) 5.200 3.300 0.800 peak 1856 weight 0.10000E+01 volume 0.37277E-03 ppm1 7.719 ppm2 6.590 CV 1 ASSI { 1860} (( segid " " and resid 89 and name HA )) (( segid " " and resid 93 and name HN )) 3.300 1.300 1.300 peak 1860 weight 0.10000E+01 volume 0.66782E-03 ppm1 7.720 ppm2 3.883 CV 1 ASSI { 1862} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 93 and name HN )) 5.000 3.200 1.000 peak 1862 weight 0.10000E+01 volume 0.41267E-03 ppm1 7.719 ppm2 2.724 CV 1 OR { 1862} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 93 and name HN )) ASSI { 1866} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 93 and name HN )) 4.100 2.100 1.900 peak 1866 weight 0.10000E+01 volume 0.22875E-02 ppm1 7.720 ppm2 1.342 CV 1 ASSI { 1868} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 93 and name HN )) 3.000 1.100 1.100 peak 1868 weight 0.10000E+01 volume 0.25960E-02 ppm1 7.719 ppm2 0.823 CV 1 ASSI { 1900} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 4.400 2.400 1.600 peak 1900 weight 0.10000E+01 volume 0.59769E-03 ppm1 8.800 ppm2 7.942 CV 1 ASSI { 1901} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 111 and name HN )) 3.700 1.800 1.800 peak 1901 weight 0.10000E+01 volume 0.55833E-03 ppm1 8.796 ppm2 6.558 CV 1 ASSI { 1904} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HN )) 3.000 1.100 1.100 peak 1904 weight 0.10000E+01 volume 0.23674E-02 ppm1 8.797 ppm2 2.377 CV 1 OR { 1904} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HN )) ASSI { 1913} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HN )) 3.000 1.100 1.100 peak 1913 weight 0.10000E+01 volume 0.17226E-02 ppm1 8.544 ppm2 9.045 CV 1 ASSI { 1916} (( segid " " and resid 86 and name HA )) (( segid " " and resid 87 and name HN )) 2.200 0.600 0.600 peak 1916 weight 0.10000E+01 volume 0.12477E-01 ppm1 8.543 ppm2 4.708 CV 1 ASSI { 1919} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HN )) 2.600 0.900 0.900 peak 1919 weight 0.10000E+01 volume 0.74529E-02 ppm1 8.543 ppm2 2.705 CV 1 OR { 1919} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 87 and name HN )) ASSI { 1920} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 87 and name HN )) 2.400 0.700 0.700 peak 1920 weight 0.10000E+01 volume 0.73879E-02 ppm1 8.543 ppm2 2.445 CV 1 ASSI { 1925} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HN )) 2.600 0.800 0.800 peak 1925 weight 0.10000E+01 volume 0.32763E-02 ppm1 7.896 ppm2 3.744 CV 1 ASSI { 1926} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HN )) 3.700 1.700 1.700 peak 1926 weight 0.10000E+01 volume 0.24024E-02 ppm1 7.898 ppm2 0.282 CV 1 ASSI { 1929} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.400 0.700 0.700 peak 1929 weight 0.10000E+01 volume 0.38583E-02 ppm1 7.886 ppm2 8.276 CV 1 ASSI { 1932} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 99 and name HN )) 4.000 2.000 2.000 peak 1932 weight 0.10000E+01 volume 0.53335E-03 ppm1 7.895 ppm2 7.444 CV 1 ASSI { 1936} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 1936 weight 0.10000E+01 volume 0.31027E-02 ppm1 7.884 ppm2 3.479 CV 1 ASSI { 1940} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 16 and name HN )) 2.000 0.500 0.500 peak 1940 weight 0.10000E+01 volume 0.70836E-02 ppm1 7.894 ppm2 1.191 CV 1 ASSI { 1943} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HN )) 3.500 1.600 1.600 peak 1943 weight 0.10000E+01 volume 0.19517E-02 ppm1 7.895 ppm2 0.509 CV 1 ASSI { 1945} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.900 1.100 1.100 peak 1945 weight 0.10000E+01 volume 0.31509E-02 ppm1 7.883 ppm2 2.286 CV 1 OR { 1945} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 16 and name HN )) OR { 1945} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 16 and name HN )) ASSI { 1996} (( segid " " and resid 86 and name HN )) (( segid " " and resid 92 and name HN )) 5.100 3.300 0.900 peak 1996 weight 0.10000E+01 volume 0.31334E-03 ppm1 7.437 ppm2 8.733 CV 1 ASSI { 1997} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HN )) 3.800 1.800 1.800 peak 1997 weight 0.10000E+01 volume 0.74534E-03 ppm1 7.437 ppm2 8.439 CV 1 ASSI { 2001} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 92 and name HN )) 4.400 2.400 1.600 peak 2001 weight 0.10000E+01 volume 0.96251E-03 ppm1 7.438 ppm2 7.283 CV 1 ASSI { 2003} (( segid " " and resid 90 and name HA )) (( segid " " and resid 92 and name HN )) 4.100 2.100 1.900 peak 2003 weight 0.10000E+01 volume 0.72640E-03 ppm1 7.437 ppm2 4.715 CV 1 ASSI { 2009} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 92 and name HN )) 3.200 1.300 1.300 peak 2009 weight 0.10000E+01 volume 0.27088E-02 ppm1 7.438 ppm2 1.344 CV 1 ASSI { 2038} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 2.500 0.800 0.800 peak 2038 weight 0.10000E+01 volume 0.42112E-02 ppm1 8.003 ppm2 8.826 CV 1 ASSI { 2043} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HN )) 2.100 0.600 0.600 peak 2043 weight 0.10000E+01 volume 0.11993E-01 ppm1 8.003 ppm2 1.927 CV 1 OR { 2043} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 98 and name HN )) ASSI { 2044} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HN )) 4.400 2.400 1.600 peak 2044 weight 0.10000E+01 volume 0.13128E-02 ppm1 8.003 ppm2 1.707 CV 1 OR { 2044} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HN )) ASSI { 2046} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 98 and name HN )) 4.800 2.900 1.200 peak 2046 weight 0.10000E+01 volume 0.71896E-03 ppm1 8.000 ppm2 1.240 CV 1 ASSI { 2047} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 98 and name HN )) 5.300 3.500 0.700 peak 2047 weight 0.10000E+01 volume 0.27245E-03 ppm1 7.998 ppm2 0.282 CV 1 ASSI { 2066} (( segid " " and resid 68 and name HA )) (( segid " " and resid 55 and name HN )) 5.000 3.100 1.000 peak 2066 weight 0.10000E+01 volume 0.69380E-03 ppm1 8.199 ppm2 4.723 CV 1 ASSI { 2071} (( segid " " and resid 115 and name HA )) (( segid " " and resid 66 and name HN )) 4.800 2.900 1.200 peak 2071 weight 0.10000E+01 volume 0.37794E-03 ppm1 8.069 ppm2 5.273 CV 1 ASSI { 2074} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 66 and name HN )) 5.000 3.200 1.000 peak 2074 weight 0.10000E+01 volume 0.25601E-03 ppm1 8.072 ppm2 3.476 CV 1 ASSI { 2076} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HN )) 3.200 1.300 1.300 peak 2076 weight 0.10000E+01 volume 0.21830E-02 ppm1 8.067 ppm2 2.778 CV 1 ASSI { 2081} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 66 and name HN )) 6.000 4.900 0.000 peak 2081 weight 0.10000E+01 volume 0.33858E-03 ppm1 8.073 ppm2 0.561 CV 1 OR { 2081} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 66 and name HN )) ASSI { 2104} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HN )) 3.600 1.600 1.600 peak 2104 weight 0.10000E+01 volume 0.83443E-03 ppm1 8.203 ppm2 7.852 CV 1 ASSI { 2105} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 2105 weight 0.10000E+01 volume 0.36673E-02 ppm1 8.199 ppm2 7.670 CV 1 ASSI { 2106} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 2106 weight 0.10000E+01 volume 0.38519E-02 ppm1 8.199 ppm2 7.400 CV 1 ASSI { 2112} (( segid " " and resid 55 and name HG )) (( segid " " and resid 55 and name HN )) 2.100 0.600 0.600 peak 2112 weight 0.10000E+01 volume 0.84383E-02 ppm1 8.199 ppm2 1.525 CV 1 ASSI { 2113} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.300 0.600 0.600 peak 2113 weight 0.10000E+01 volume 0.36658E-02 ppm1 8.199 ppm2 1.341 CV 1 ASSI { 2114} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 55 and name HN )) 4.700 2.800 1.300 peak 2114 weight 0.10000E+01 volume 0.41951E-03 ppm1 8.199 ppm2 0.895 CV 1 ASSI { 2115} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 55 and name HN )) 3.200 1.300 1.300 peak 2115 weight 0.10000E+01 volume 0.50868E-02 ppm1 8.199 ppm2 0.564 CV 1 OR { 2115} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HN )) ASSI { 2122} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 66 and name HN )) 2.900 1.100 1.100 peak 2122 weight 0.10000E+01 volume 0.22566E-02 ppm1 8.066 ppm2 7.002 CV 1 ASSI { 2124} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 4.200 2.200 1.800 peak 2124 weight 0.10000E+01 volume 0.11213E-02 ppm1 8.064 ppm2 8.366 CV 1 ASSI { 2128} (( segid " " and resid 79 and name HB )) (( segid " " and resid 94 and name HN )) 5.000 3.100 1.000 peak 2128 weight 0.10000E+01 volume 0.30418E-03 ppm1 7.827 ppm2 4.464 CV 1 ASSI { 2130} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 94 and name HN )) 4.700 2.800 1.300 peak 2130 weight 0.10000E+01 volume 0.44925E-03 ppm1 7.829 ppm2 2.719 CV 1 OR { 2130} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 94 and name HN )) ASSI { 2131} (( segid " " and resid 93 and name HB )) (( segid " " and resid 94 and name HN )) 3.100 1.200 1.200 peak 2131 weight 0.10000E+01 volume 0.64461E-02 ppm1 7.828 ppm2 2.379 CV 1 ASSI { 2132} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 94 and name HN )) 2.100 0.600 0.600 peak 2132 weight 0.10000E+01 volume 0.14781E-01 ppm1 7.828 ppm2 1.542 CV 1 ASSI { 2133} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 94 and name HN )) 4.800 2.900 1.200 peak 2133 weight 0.10000E+01 volume 0.77920E-03 ppm1 7.828 ppm2 1.368 CV 1 ASSI { 2152} (( segid " " and resid 137 and name HN )) (( segid " " and resid 39 and name HN )) 4.400 2.500 1.600 peak 2152 weight 0.10000E+01 volume 0.42652E-03 ppm1 8.680 ppm2 10.003 CV 1 ASSI { 2154} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 3.700 1.700 1.700 peak 2154 weight 0.10000E+01 volume 0.80101E-03 ppm1 8.679 ppm2 9.192 CV 1 ASSI { 2162} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 39 and name HN )) 3.500 1.500 1.500 peak 2162 weight 0.10000E+01 volume 0.41196E-02 ppm1 8.679 ppm2 2.183 CV 1 ASSI { 2168} (( segid " " and resid 136 and name HA )) (( segid " " and resid 39 and name HN )) 3.700 1.700 1.700 peak 2168 weight 0.10000E+01 volume 0.46875E-03 ppm1 8.678 ppm2 5.685 CV 1 ASSI { 2180} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 2180 weight 0.10000E+01 volume 0.26257E-02 ppm1 8.275 ppm2 0.648 CV 1 ASSI { 2184} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HN )) 3.800 1.800 1.800 peak 2184 weight 0.10000E+01 volume 0.87364E-03 ppm1 7.828 ppm2 8.737 CV 1 ASSI { 2185} (( segid " " and resid 91 and name HN )) (( segid " " and resid 94 and name HN )) 4.100 2.100 1.900 peak 2185 weight 0.10000E+01 volume 0.74350E-03 ppm1 7.828 ppm2 8.294 CV 1 ASSI { 2187} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HN )) 3.600 1.600 1.600 peak 2187 weight 0.10000E+01 volume 0.10570E-02 ppm1 7.826 ppm2 7.450 CV 1 ASSI { 2190} (( segid " " and resid 92 and name HA )) (( segid " " and resid 94 and name HN )) 4.500 2.500 1.500 peak 2190 weight 0.10000E+01 volume 0.39248E-03 ppm1 7.826 ppm2 3.680 CV 1 ASSI { 2191} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 94 and name HN )) 5.400 3.700 0.600 peak 2191 weight 0.10000E+01 volume 0.62963E-03 ppm1 7.826 ppm2 1.974 CV 1 ASSI { 2193} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 94 and name HN )) 3.900 1.900 1.900 peak 2193 weight 0.10000E+01 volume 0.24554E-02 ppm1 7.828 ppm2 1.172 CV 1 ASSI { 2197} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 2197 weight 0.10000E+01 volume 0.33720E-02 ppm1 7.562 ppm2 8.856 CV 1 ASSI { 2204} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 2204 weight 0.10000E+01 volume 0.10534E-02 ppm1 7.561 ppm2 4.731 CV 1 ASSI { 2206} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HN )) 3.400 1.400 1.400 peak 2206 weight 0.10000E+01 volume 0.99404E-03 ppm1 7.562 ppm2 4.247 CV 1 ASSI { 2207} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 27 and name HN )) 3.600 1.600 1.600 peak 2207 weight 0.10000E+01 volume 0.19774E-02 ppm1 7.561 ppm2 4.145 CV 1 ASSI { 2209} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 27 and name HN )) 3.400 1.400 1.400 peak 2209 weight 0.10000E+01 volume 0.20007E-02 ppm1 7.561 ppm2 3.739 CV 1 ASSI { 2211} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.400 0.700 0.700 peak 2211 weight 0.10000E+01 volume 0.58487E-02 ppm1 7.561 ppm2 1.720 CV 1 ASSI { 2212} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 2212 weight 0.10000E+01 volume 0.77542E-02 ppm1 7.561 ppm2 1.296 CV 1 OR { 2212} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) ASSI { 2214} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HN )) 4.200 2.200 1.800 peak 2214 weight 0.10000E+01 volume 0.21115E-02 ppm1 7.561 ppm2 0.394 CV 1 ASSI { 2215} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HN )) 3.300 1.400 1.400 peak 2215 weight 0.10000E+01 volume 0.20561E-02 ppm1 7.561 ppm2 0.270 CV 1 ASSI { 2243} (( segid " " and resid 16 and name HB )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 2243 weight 0.10000E+01 volume 0.43202E-02 ppm1 8.276 ppm2 1.995 CV 1 ASSI { 2244} (( segid " " and resid 17 and name HG )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 2244 weight 0.10000E+01 volume 0.71542E-02 ppm1 8.275 ppm2 1.769 CV 1 ASSI { 2246} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.400 0.700 0.700 peak 2246 weight 0.10000E+01 volume 0.39975E-02 ppm1 8.274 ppm2 1.520 CV 1 OR { 2246} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) ASSI { 2248} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 94 and name HN )) 4.500 2.500 1.500 peak 2248 weight 0.10000E+01 volume 0.74102E-03 ppm1 7.832 ppm2 2.070 CV 1 OR { 2248} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 94 and name HN )) ASSI { 2249} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 94 and name HN )) 4.800 2.900 1.200 peak 2249 weight 0.10000E+01 volume 0.54599E-03 ppm1 7.833 ppm2 1.721 CV 1 ASSI { 2251} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 27 and name HN )) 4.500 2.500 1.500 peak 2251 weight 0.10000E+01 volume 0.42744E-03 ppm1 7.561 ppm2 7.160 CV 1 ASSI { 2275} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 95 and name HN )) 4.900 3.000 1.100 peak 2275 weight 0.10000E+01 volume 0.49376E-03 ppm1 7.918 ppm2 3.328 CV 1 ASSI { 2276} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 112 and name HN )) 4.600 2.600 1.400 peak 2276 weight 0.10000E+01 volume 0.44137E-03 ppm1 7.917 ppm2 2.908 CV 1 ASSI { 2277} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HN )) 2.800 1.000 1.000 peak 2277 weight 0.10000E+01 volume 0.53353E-02 ppm1 7.918 ppm2 2.107 CV 1 OR { 2277} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HN )) ASSI { 2281} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 80 and name HN )) 4.800 2.900 1.200 peak 2281 weight 0.10000E+01 volume 0.73621E-03 ppm1 7.272 ppm2 3.768 CV 1 ASSI { 2284} (( segid " " and resid 78 and name HN )) (( segid " " and resid 80 and name HN )) 4.700 2.800 1.300 peak 2284 weight 0.10000E+01 volume 0.82348E-03 ppm1 7.268 ppm2 8.012 CV 1 ASSI { 2285} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 1.900 0.400 0.400 peak 2285 weight 0.10000E+01 volume 0.61238E-02 ppm1 7.269 ppm2 7.672 CV 1 ASSI { 2288} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HN )) 2.600 0.800 0.800 peak 2288 weight 0.10000E+01 volume 0.91580E-02 ppm1 7.269 ppm2 4.715 CV 1 ASSI { 2289} (( segid " " and resid 79 and name HB )) (( segid " " and resid 80 and name HN )) 3.400 1.400 1.400 peak 2289 weight 0.10000E+01 volume 0.20402E-02 ppm1 7.269 ppm2 4.478 CV 1 ASSI { 2290} (( segid " " and resid 78 and name HA )) (( segid " " and resid 80 and name HN )) 3.400 1.400 1.400 peak 2290 weight 0.10000E+01 volume 0.73444E-02 ppm1 7.269 ppm2 4.045 CV 1 ASSI { 2292} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 80 and name HN )) 4.000 2.000 2.000 peak 2292 weight 0.10000E+01 volume 0.12188E-02 ppm1 7.270 ppm2 0.821 CV 1 ASSI { 2293} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 80 and name HN )) 5.500 3.700 0.500 peak 2293 weight 0.10000E+01 volume 0.84506E-03 ppm1 7.269 ppm2 0.649 CV 1 ASSI { 2305} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 13 and name HN )) 4.400 2.400 1.600 peak 2305 weight 0.10000E+01 volume 0.26937E-03 ppm1 9.232 ppm2 8.104 CV 1 ASSI { 2309} (( segid " " and resid 130 and name HA )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 2309 weight 0.10000E+01 volume 0.30150E-02 ppm1 9.232 ppm2 4.298 CV 1 ASSI { 2310} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HN )) 3.300 1.300 1.300 peak 2310 weight 0.10000E+01 volume 0.11430E-02 ppm1 9.232 ppm2 2.936 CV 1 ASSI { 2311} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.500 1.500 1.500 peak 2311 weight 0.10000E+01 volume 0.95150E-03 ppm1 9.233 ppm2 2.584 CV 1 ASSI { 2317} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 4.700 2.800 1.300 peak 2317 weight 0.10000E+01 volume 0.55196E-03 ppm1 8.163 ppm2 8.919 CV 1 ASSI { 2319} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 41 and name HN )) 4.100 2.100 1.900 peak 2319 weight 0.10000E+01 volume 0.17301E-02 ppm1 8.162 ppm2 6.062 CV 1 ASSI { 2321} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 2321 weight 0.10000E+01 volume 0.18478E-02 ppm1 8.162 ppm2 4.424 CV 1 ASSI { 2322} (( segid " " and resid 134 and name HA )) (( segid " " and resid 41 and name HN )) 4.800 2.800 1.200 peak 2322 weight 0.10000E+01 volume 0.45805E-03 ppm1 8.159 ppm2 4.117 CV 1 ASSI { 2323} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) 3.000 1.100 1.100 peak 2323 weight 0.10000E+01 volume 0.62275E-02 ppm1 8.162 ppm2 2.932 CV 1 OR { 2323} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HN )) ASSI { 2331} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 2331 weight 0.10000E+01 volume 0.35406E-02 ppm1 7.405 ppm2 8.369 CV 1 ASSI { 2335} (( segid " " and resid 50 and name HN )) (( segid " " and resid 54 and name HN )) 4.800 2.900 1.200 peak 2335 weight 0.10000E+01 volume 0.16044E-02 ppm1 7.404 ppm2 6.687 CV 1 ASSI { 2337} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 2.600 0.800 0.800 peak 2337 weight 0.10000E+01 volume 0.66142E-02 ppm1 7.404 ppm2 3.688 CV 1 ASSI { 2339} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 54 and name HN )) 4.700 2.800 1.300 peak 2339 weight 0.10000E+01 volume 0.77506E-03 ppm1 7.408 ppm2 2.199 CV 1 ASSI { 2341} (( segid " " and resid 53 and name HB )) (( segid " " and resid 54 and name HN )) 1.900 0.400 0.400 peak 2341 weight 0.10000E+01 volume 0.14890E-01 ppm1 7.404 ppm2 1.783 CV 1 ASSI { 2342} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 54 and name HN )) 3.700 1.700 1.700 peak 2342 weight 0.10000E+01 volume 0.35478E-02 ppm1 7.405 ppm2 1.236 CV 1 OR { 2342} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 54 and name HN )) ASSI { 2345} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 54 and name HN )) 4.400 2.500 1.600 peak 2345 weight 0.10000E+01 volume 0.64635E-03 ppm1 7.400 ppm2 6.936 CV 1 ASSI { 2347} (( segid " " and resid 42 and name HZ3 )) (( segid " " and resid 54 and name HN )) 5.200 3.400 0.800 peak 2347 weight 0.10000E+01 volume 0.44160E-03 ppm1 7.401 ppm2 6.155 CV 1 ASSI { 2350} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 54 and name HN )) 4.300 2.300 1.700 peak 2350 weight 0.10000E+01 volume 0.11981E-02 ppm1 7.400 ppm2 0.572 CV 1 OR { 2350} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 54 and name HN )) ASSI { 2351} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 2351 weight 0.10000E+01 volume 0.11726E-01 ppm1 7.399 ppm2 0.419 CV 1 OR { 2351} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 54 and name HN )) ASSI { 2353} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 80 and name HN )) 5.100 3.200 0.900 peak 2353 weight 0.10000E+01 volume 0.26497E-03 ppm1 7.267 ppm2 1.613 CV 1 ASSI { 2388} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HN )) 5.500 3.700 0.500 peak 2388 weight 0.10000E+01 volume 0.75747E-03 ppm1 8.822 ppm2 4.700 CV 1 ASSI { 2389} (( segid " " and resid 79 and name HB )) (( segid " " and resid 97 and name HN )) 4.600 2.600 1.400 peak 2389 weight 0.10000E+01 volume 0.55144E-03 ppm1 8.825 ppm2 4.478 CV 1 ASSI { 2391} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 2391 weight 0.10000E+01 volume 0.35056E-02 ppm1 8.825 ppm2 3.940 CV 1 ASSI { 2394} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HN )) 3.300 1.400 1.400 peak 2394 weight 0.10000E+01 volume 0.45135E-02 ppm1 8.825 ppm2 2.707 CV 1 ASSI { 2396} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HN )) 2.500 0.800 0.800 peak 2396 weight 0.10000E+01 volume 0.38099E-02 ppm1 8.825 ppm2 2.060 CV 1 ASSI { 2399} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 97 and name HN )) 4.200 2.200 1.800 peak 2399 weight 0.10000E+01 volume 0.96693E-03 ppm1 8.825 ppm2 0.819 CV 1 ASSI { 2406} (( segid " " and resid 42 and name HE1 )) (( segid " " and resid 41 and name HN )) 4.900 3.100 1.100 peak 2406 weight 0.10000E+01 volume 0.35332E-03 ppm1 8.164 ppm2 9.826 CV 1 ASSI { 2409} (( segid " " and resid 42 and name HD1 )) (( segid " " and resid 41 and name HN )) 4.400 2.400 1.600 peak 2409 weight 0.10000E+01 volume 0.38473E-03 ppm1 8.158 ppm2 7.188 CV 1 ASSI { 2410} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 2410 weight 0.10000E+01 volume 0.38767E-02 ppm1 8.159 ppm2 1.776 CV 1 OR { 2410} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HN )) ASSI { 2411} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 2411 weight 0.10000E+01 volume 0.28000E-02 ppm1 8.162 ppm2 1.522 CV 1 ASSI { 2412} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 41 and name HN )) 4.200 2.200 1.800 peak 2412 weight 0.10000E+01 volume 0.55098E-03 ppm1 8.122 ppm2 1.027 CV 1 ASSI { 2415} (( segid " " and resid 139 and name HN )) (( segid " " and resid 34 and name HN )) 5.600 3.900 0.400 peak 2415 weight 0.10000E+01 volume 0.47738E-03 ppm1 8.117 ppm2 8.581 CV 1 ASSI { 2418} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 34 and name HN )) 3.300 1.400 1.400 peak 2418 weight 0.10000E+01 volume 0.81903E-03 ppm1 8.115 ppm2 7.221 CV 1 ASSI { 2420} (( segid " " and resid 30 and name HA )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 2420 weight 0.10000E+01 volume 0.56076E-02 ppm1 8.115 ppm2 4.723 CV 1 ASSI { 2421} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 2421 weight 0.10000E+01 volume 0.88199E-02 ppm1 8.115 ppm2 4.572 CV 1 ASSI { 2425} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 2425 weight 0.10000E+01 volume 0.44272E-02 ppm1 8.117 ppm2 1.772 CV 1 OR { 2425} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 2462} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.400 0.700 0.700 peak 2462 weight 0.10000E+01 volume 0.47866E-02 ppm1 8.387 ppm2 7.841 CV 1 ASSI { 2465} (( segid " " and resid 16 and name HA )) (( segid " " and resid 20 and name HN )) 3.900 1.900 1.900 peak 2465 weight 0.10000E+01 volume 0.76298E-03 ppm1 8.389 ppm2 3.478 CV 1 ASSI { 2466} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 2466 weight 0.10000E+01 volume 0.86545E-03 ppm1 8.388 ppm2 2.427 CV 1 ASSI { 2467} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 2.900 1.000 1.000 peak 2467 weight 0.10000E+01 volume 0.61016E-02 ppm1 8.388 ppm2 1.918 CV 1 ASSI { 2468} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 2.100 0.600 0.600 peak 2468 weight 0.10000E+01 volume 0.54510E-02 ppm1 8.388 ppm2 1.664 CV 1 ASSI { 2469} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 20 and name HN )) 4.000 2.000 2.000 peak 2469 weight 0.10000E+01 volume 0.43486E-03 ppm1 8.389 ppm2 1.353 CV 1 ASSI { 2471} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 20 and name HN )) 3.700 1.700 1.700 peak 2471 weight 0.10000E+01 volume 0.19805E-02 ppm1 8.388 ppm2 0.676 CV 1 ASSI { 2472} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 2472 weight 0.10000E+01 volume 0.41790E-02 ppm1 8.388 ppm2 0.513 CV 1 OR { 2472} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 20 and name HN )) ASSI { 2477} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 112 and name HN )) 4.400 2.400 1.600 peak 2477 weight 0.10000E+01 volume 0.15844E-02 ppm1 7.928 ppm2 2.374 CV 1 OR { 2477} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 112 and name HN )) ASSI { 2500} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HN )) 2.400 0.700 0.700 peak 2500 weight 0.10000E+01 volume 0.32315E-02 ppm1 9.048 ppm2 7.824 CV 1 ASSI { 2504} (( segid " " and resid 89 and name HA )) (( segid " " and resid 88 and name HN )) 5.000 3.100 1.000 peak 2504 weight 0.10000E+01 volume 0.34009E-03 ppm1 9.048 ppm2 3.889 CV 1 ASSI { 2505} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name HN )) 2.700 0.900 0.900 peak 2505 weight 0.10000E+01 volume 0.50261E-02 ppm1 9.048 ppm2 2.705 CV 1 OR { 2505} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 88 and name HN )) ASSI { 2512} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 4.300 2.300 1.700 peak 2512 weight 0.10000E+01 volume 0.41731E-03 ppm1 7.936 ppm2 9.397 CV 1 ASSI { 2515} (( segid " " and resid 70 and name HA )) (( segid " " and resid 112 and name HN )) 2.100 0.500 0.500 peak 2515 weight 0.10000E+01 volume 0.27877E-02 ppm1 7.931 ppm2 4.844 CV 1 ASSI { 2516} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HN )) 2.100 0.500 0.500 peak 2516 weight 0.10000E+01 volume 0.87459E-02 ppm1 7.931 ppm2 4.668 CV 1 ASSI { 2521} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HN )) 3.700 1.700 1.700 peak 2521 weight 0.10000E+01 volume 0.87800E-03 ppm1 7.906 ppm2 8.346 CV 1 ASSI { 2544} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HN )) 3.200 1.300 1.300 peak 2544 weight 0.10000E+01 volume 0.11337E-02 ppm1 7.903 ppm2 3.742 CV 1 ASSI { 2547} (( segid " " and resid 100 and name HG )) (( segid " " and resid 100 and name HN )) 3.100 1.200 1.200 peak 2547 weight 0.10000E+01 volume 0.80761E-02 ppm1 7.904 ppm2 1.214 CV 1 ASSI { 2548} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 100 and name HN )) 3.700 1.700 1.700 peak 2548 weight 0.10000E+01 volume 0.13521E-02 ppm1 7.903 ppm2 0.284 CV 1 ASSI { 2555} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 89 and name HN )) 6.000 4.800 0.000 peak 2555 weight 0.10000E+01 volume 0.26848E-03 ppm1 7.826 ppm2 3.161 CV 1 ASSI { 2568} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 137 and name HN )) 4.800 2.900 1.200 peak 2568 weight 0.10000E+01 volume 0.74317E-03 ppm1 10.010 ppm2 7.321 CV 1 ASSI { 2572} (( segid " " and resid 39 and name HA )) (( segid " " and resid 137 and name HN )) 3.700 1.700 1.700 peak 2572 weight 0.10000E+01 volume 0.19573E-02 ppm1 10.009 ppm2 4.905 CV 1 ASSI { 2573} (( segid " " and resid 123 and name HA )) (( segid " " and resid 137 and name HN )) 4.100 2.100 1.900 peak 2573 weight 0.10000E+01 volume 0.11375E-02 ppm1 10.009 ppm2 4.716 CV 1 ASSI { 2577} (( segid " " and resid 136 and name HB )) (( segid " " and resid 137 and name HN )) 3.000 1.100 1.100 peak 2577 weight 0.10000E+01 volume 0.28785E-02 ppm1 10.009 ppm2 1.899 CV 1 ASSI { 2578} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 137 and name HN )) 5.600 3.900 0.400 peak 2578 weight 0.10000E+01 volume 0.35409E-03 ppm1 10.008 ppm2 1.447 CV 1 ASSI { 2580} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 137 and name HN )) 5.600 4.000 0.400 peak 2580 weight 0.10000E+01 volume 0.36085E-03 ppm1 10.010 ppm2 0.520 CV 1 OR { 2580} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 137 and name HN )) ASSI { 2596} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HN )) 3.600 1.600 1.600 peak 2596 weight 0.10000E+01 volume 0.17347E-02 ppm1 7.825 ppm2 8.685 CV 1 ASSI { 2597} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HN )) 2.200 0.600 0.600 peak 2597 weight 0.10000E+01 volume 0.55963E-02 ppm1 7.826 ppm2 8.449 CV 1 ASSI { 2598} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 89 and name HN )) 5.700 4.100 0.300 peak 2598 weight 0.10000E+01 volume 0.34856E-03 ppm1 7.826 ppm2 6.487 CV 1 ASSI { 2599} (( segid " " and resid 90 and name HA )) (( segid " " and resid 89 and name HN )) 3.900 1.900 1.900 peak 2599 weight 0.10000E+01 volume 0.16907E-02 ppm1 7.825 ppm2 4.715 CV 1 ASSI { 2605} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HN )) 2.400 0.700 0.700 peak 2605 weight 0.10000E+01 volume 0.31135E-02 ppm1 7.825 ppm2 0.769 CV 1 ASSI { 2620} (( segid " " and resid 42 and name HE1 )) (( segid " " and resid 137 and name HN )) 4.800 2.900 1.200 peak 2620 weight 0.10000E+01 volume 0.46829E-03 ppm1 10.008 ppm2 9.833 CV 1 ASSI { 2632} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 2632 weight 0.10000E+01 volume 0.24741E-02 ppm1 9.389 ppm2 7.322 CV 1 ASSI { 2636} (( segid " " and resid 28 and name HA )) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 2636 weight 0.10000E+01 volume 0.11517E-02 ppm1 9.390 ppm2 4.742 CV 1 ASSI { 2640} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.600 0.800 0.800 peak 2640 weight 0.10000E+01 volume 0.44853E-02 ppm1 9.389 ppm2 2.949 CV 1 OR { 2640} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) ASSI { 2641} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.700 0.900 0.900 peak 2641 weight 0.10000E+01 volume 0.64750E-02 ppm1 9.390 ppm2 2.318 CV 1 OR { 2641} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) ASSI { 2646} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 37 and name HN )) 5.100 3.300 0.900 peak 2646 weight 0.10000E+01 volume 0.11266E-02 ppm1 9.390 ppm2 0.653 CV 1 ASSI { 2654} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name HN )) 2.100 0.600 0.600 peak 2654 weight 0.10000E+01 volume 0.90505E-02 ppm1 9.234 ppm2 4.337 CV 1 ASSI { 2658} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 109 and name HN )) 5.200 3.400 0.800 peak 2658 weight 0.10000E+01 volume 0.47807E-03 ppm1 9.233 ppm2 2.173 CV 1 OR { 2658} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 109 and name HN )) ASSI { 2659} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HN )) 3.800 1.800 1.800 peak 2659 weight 0.10000E+01 volume 0.28307E-02 ppm1 9.234 ppm2 1.754 CV 1 OR { 2659} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HN )) ASSI { 2661} (( segid " " and resid 108 and name HG1 )) (( segid " " and resid 109 and name HN )) 3.400 1.500 1.500 peak 2661 weight 0.10000E+01 volume 0.11978E-02 ppm1 9.234 ppm2 1.370 CV 1 ASSI { 2665} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 4.300 2.300 1.700 peak 2665 weight 0.10000E+01 volume 0.81511E-03 ppm1 8.608 ppm2 9.024 CV 1 ASSI { 2666} (( segid " " and resid 111 and name HN )) (( segid " " and resid 127 and name HN )) 4.700 2.800 1.300 peak 2666 weight 0.10000E+01 volume 0.11602E-02 ppm1 8.607 ppm2 8.751 CV 1 ASSI { 2670} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 127 and name HN )) 2.300 0.700 0.700 peak 2670 weight 0.10000E+01 volume 0.45869E-02 ppm1 8.608 ppm2 4.716 CV 1 ASSI { 2671} (( segid " " and resid 108 and name HA )) (( segid " " and resid 127 and name HN )) 5.400 3.700 0.600 peak 2671 weight 0.10000E+01 volume 0.48948E-03 ppm1 8.606 ppm2 4.326 CV 1 ASSI { 2673} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 127 and name HN )) 2.700 0.900 0.900 peak 2673 weight 0.10000E+01 volume 0.39161E-02 ppm1 8.608 ppm2 3.406 CV 1 ASSI { 2674} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HN )) 3.500 1.500 1.500 peak 2674 weight 0.10000E+01 volume 0.11634E-02 ppm1 8.608 ppm2 2.294 CV 1 ASSI { 2675} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HN )) 2.400 0.700 0.700 peak 2675 weight 0.10000E+01 volume 0.47776E-02 ppm1 8.608 ppm2 1.850 CV 1 ASSI { 2676} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 127 and name HN )) 4.400 2.400 1.600 peak 2676 weight 0.10000E+01 volume 0.84024E-03 ppm1 8.607 ppm2 1.546 CV 1 ASSI { 2677} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 127 and name HN )) 4.100 2.100 1.900 peak 2677 weight 0.10000E+01 volume 0.54192E-03 ppm1 8.608 ppm2 0.978 CV 1 ASSI { 2679} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 127 and name HN )) 3.900 1.900 1.900 peak 2679 weight 0.10000E+01 volume 0.12748E-02 ppm1 8.608 ppm2 0.567 CV 1 ASSI { 2720} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HN )) 2.200 0.600 0.600 peak 2720 weight 0.10000E+01 volume 0.14846E-01 ppm1 7.668 ppm2 2.161 CV 1 OR { 2720} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HN )) ASSI { 2774} (( segid " " and resid 88 and name HN )) (( segid " " and resid 90 and name HN )) 4.400 2.400 1.600 peak 2774 weight 0.10000E+01 volume 0.28258E-03 ppm1 8.449 ppm2 9.058 CV 1 ASSI { 2781} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 90 and name HN )) 3.200 1.300 1.300 peak 2781 weight 0.10000E+01 volume 0.10324E-02 ppm1 8.447 ppm2 7.320 CV 1 ASSI { 2782} (( segid " " and resid 90 and name HD22)) (( segid " " and resid 90 and name HN )) 4.900 3.000 1.100 peak 2782 weight 0.10000E+01 volume 0.74360E-03 ppm1 8.447 ppm2 6.650 CV 1 ASSI { 2783} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 90 and name HN )) 4.200 2.200 1.800 peak 2783 weight 0.10000E+01 volume 0.69556E-03 ppm1 8.448 ppm2 6.463 CV 1 ASSI { 2785} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 90 and name HN )) 4.200 2.200 1.800 peak 2785 weight 0.10000E+01 volume 0.98830E-03 ppm1 8.447 ppm2 3.161 CV 1 ASSI { 2786} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 90 and name HN )) 4.000 2.000 2.000 peak 2786 weight 0.10000E+01 volume 0.16208E-02 ppm1 8.447 ppm2 2.952 CV 1 ASSI { 2787} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HN )) 2.500 0.800 0.800 peak 2787 weight 0.10000E+01 volume 0.71642E-02 ppm1 8.447 ppm2 2.750 CV 1 OR { 2787} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HN )) ASSI { 2788} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 90 and name HN )) 3.200 1.300 1.300 peak 2788 weight 0.10000E+01 volume 0.29776E-02 ppm1 8.447 ppm2 1.703 CV 1 ASSI { 2789} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 90 and name HN )) 4.300 2.300 1.700 peak 2789 weight 0.10000E+01 volume 0.15818E-02 ppm1 8.447 ppm2 1.561 CV 1 ASSI { 2790} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 90 and name HN )) 4.700 2.700 1.300 peak 2790 weight 0.10000E+01 volume 0.73810E-03 ppm1 8.447 ppm2 1.164 CV 1 ASSI { 2791} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name HN )) 2.800 1.000 1.000 peak 2791 weight 0.10000E+01 volume 0.20442E-02 ppm1 8.447 ppm2 0.775 CV 1 ASSI { 2792} (( segid " " and resid 33 and name HN )) (( segid " " and resid 140 and name HN )) 5.300 3.500 0.700 peak 2792 weight 0.10000E+01 volume 0.28550E-03 ppm1 8.350 ppm2 7.846 CV 1 ASSI { 2806} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 2806 weight 0.10000E+01 volume 0.84928E-03 ppm1 7.668 ppm2 8.317 CV 1 ASSI { 2808} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.600 0.900 0.900 peak 2808 weight 0.10000E+01 volume 0.59938E-02 ppm1 7.668 ppm2 7.900 CV 1 ASSI { 2813} (( segid " " and resid 99 and name HA )) (( segid " " and resid 101 and name HN )) 3.900 1.900 1.900 peak 2813 weight 0.10000E+01 volume 0.61799E-03 ppm1 7.669 ppm2 3.756 CV 1 ASSI { 2817} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HN )) 4.500 2.500 1.500 peak 2817 weight 0.10000E+01 volume 0.10383E-02 ppm1 7.667 ppm2 1.459 CV 1 ASSI { 2818} (( segid " " and resid 100 and name HG )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 2818 weight 0.10000E+01 volume 0.24689E-02 ppm1 7.667 ppm2 1.224 CV 1 ASSI { 2820} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 101 and name HN )) 4.600 2.600 1.400 peak 2820 weight 0.10000E+01 volume 0.81634E-03 ppm1 7.667 ppm2 0.763 CV 1 ASSI { 2822} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HN )) 4.100 2.100 1.900 peak 2822 weight 0.10000E+01 volume 0.88017E-03 ppm1 7.665 ppm2 0.607 CV 1 ASSI { 2884} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 62 and name HN )) 5.300 3.500 0.700 peak 2884 weight 0.10000E+01 volume 0.24635E-03 ppm1 8.498 ppm2 3.127 CV 1 ASSI { 2886} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 3.000 1.100 1.100 peak 2886 weight 0.10000E+01 volume 0.16833E-02 ppm1 8.451 ppm2 3.881 CV 1 ASSI { 2888} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 90 and name HN )) 4.100 2.100 1.900 peak 2888 weight 0.10000E+01 volume 0.16462E-02 ppm1 8.451 ppm2 1.981 CV 1 OR { 2888} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 90 and name HN )) ASSI { 2912} (( segid " " and resid 20 and name HG )) (( segid " " and resid 19 and name HN )) 4.000 2.000 2.000 peak 2912 weight 0.10000E+01 volume 0.89146E-03 ppm1 7.839 ppm2 0.976 CV 1 ASSI { 2914} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.700 peak 2914 weight 0.10000E+01 volume 0.80920E-03 ppm1 7.843 ppm2 0.538 CV 1 OR { 2914} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 19 and name HN )) ASSI { 2915} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HN )) 4.300 2.300 1.700 peak 2915 weight 0.10000E+01 volume 0.63381E-03 ppm1 7.772 ppm2 8.614 CV 1 ASSI { 2918} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) 4.200 2.200 1.800 peak 2918 weight 0.10000E+01 volume 0.61942E-03 ppm1 7.774 ppm2 7.280 CV 1 ASSI { 2921} (( segid " " and resid 46 and name HA )) (( segid " " and resid 133 and name HN )) 3.800 1.800 1.800 peak 2921 weight 0.10000E+01 volume 0.78051E-03 ppm1 7.773 ppm2 5.116 CV 1 ASSI { 2923} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 133 and name HN )) 3.300 1.400 1.400 peak 2923 weight 0.10000E+01 volume 0.37922E-02 ppm1 7.773 ppm2 3.036 CV 1 ASSI { 2924} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 2924 weight 0.10000E+01 volume 0.35345E-02 ppm1 7.776 ppm2 2.095 CV 1 ASSI { 2925} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HN )) 2.500 0.800 0.800 peak 2925 weight 0.10000E+01 volume 0.29144E-02 ppm1 7.773 ppm2 1.550 CV 1 ASSI { 2926} (( segid " " and resid 133 and name HG )) (( segid " " and resid 133 and name HN )) 3.500 1.500 1.500 peak 2926 weight 0.10000E+01 volume 0.14372E-02 ppm1 7.773 ppm2 1.179 CV 1 ASSI { 2927} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HN )) 3.600 1.600 1.600 peak 2927 weight 0.10000E+01 volume 0.24486E-02 ppm1 7.772 ppm2 0.997 CV 1 ASSI { 2928} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 133 and name HN )) 4.300 2.300 1.700 peak 2928 weight 0.10000E+01 volume 0.12677E-02 ppm1 7.772 ppm2 0.834 CV 1 OR { 2928} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 133 and name HN )) OR { 2928} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 133 and name HN )) ASSI { 2929} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 133 and name HN )) 3.600 1.600 1.600 peak 2929 weight 0.10000E+01 volume 0.15440E-02 ppm1 7.774 ppm2 0.697 CV 1 ASSI { 3018} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 3018 weight 0.10000E+01 volume 0.49483E-02 ppm1 7.846 ppm2 8.296 CV 1 ASSI { 3027} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 18 and name HN )) 4.200 2.200 1.800 peak 3027 weight 0.10000E+01 volume 0.12611E-02 ppm1 7.848 ppm2 0.827 CV 1 ASSI { 3028} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 133 and name HN )) 3.900 1.900 1.900 peak 3028 weight 0.10000E+01 volume 0.36899E-03 ppm1 7.771 ppm2 3.398 CV 1 ASSI { 3108} (( segid " " and resid 120 and name HN )) (( segid " " and resid 140 and name HN )) 3.200 1.300 1.300 peak 3108 weight 0.10000E+01 volume 0.17584E-02 ppm1 8.346 ppm2 9.172 CV 1 ASSI { 3113} (( segid " " and resid 141 and name HA )) (( segid " " and resid 140 and name HN )) 3.200 1.300 1.300 peak 3113 weight 0.10000E+01 volume 0.15451E-02 ppm1 8.346 ppm2 4.971 CV 1 ASSI { 3115} (( segid " " and resid 139 and name HE1 )) (( segid " " and resid 140 and name HN )) 4.700 2.800 1.300 peak 3115 weight 0.10000E+01 volume 0.25148E-03 ppm1 8.346 ppm2 2.730 CV 1 OR { 3115} (( segid " " and resid 139 and name HE2 )) (( segid " " and resid 140 and name HN )) ASSI { 3116} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 140 and name HN )) 4.100 2.100 1.900 peak 3116 weight 0.10000E+01 volume 0.13166E-02 ppm1 8.345 ppm2 1.535 CV 1 ASSI { 3117} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 140 and name HN )) 3.500 1.600 1.600 peak 3117 weight 0.10000E+01 volume 0.13897E-02 ppm1 8.344 ppm2 1.182 CV 1 OR { 3117} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 140 and name HN )) ASSI { 3118} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 140 and name HN )) 2.500 0.800 0.800 peak 3118 weight 0.10000E+01 volume 0.66221E-02 ppm1 8.346 ppm2 0.960 CV 1 OR { 3118} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 140 and name HN )) ASSI { 3119} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 140 and name HN )) 3.200 1.300 1.300 peak 3119 weight 0.10000E+01 volume 0.19683E-02 ppm1 8.345 ppm2 0.572 CV 1 ASSI { 3120} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 140 and name HN )) 3.800 1.800 1.800 peak 3120 weight 0.10000E+01 volume 0.13627E-02 ppm1 8.346 ppm2 0.314 CV 1 OR { 3120} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 140 and name HN )) ASSI { 3131} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 117 and name HN )) 5.200 3.300 0.800 peak 3131 weight 0.10000E+01 volume 0.38309E-03 ppm1 8.045 ppm2 4.051 CV 1 ASSI { 3132} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 117 and name HN )) 5.500 3.800 0.500 peak 3132 weight 0.10000E+01 volume 0.35066E-03 ppm1 8.044 ppm2 1.318 CV 1 ASSI { 3200} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 4.800 2.900 1.200 peak 3200 weight 0.10000E+01 volume 0.35151E-03 ppm1 8.488 ppm2 7.347 CV 1 ASSI { 3205} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 3205 weight 0.10000E+01 volume 0.40308E-02 ppm1 8.487 ppm2 4.134 CV 1 ASSI { 3208} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 3208 weight 0.10000E+01 volume 0.36791E-02 ppm1 8.487 ppm2 2.003 CV 1 OR { 3208} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) ASSI { 3212} (( segid " " and resid 140 and name HB )) (( segid " " and resid 140 and name HN )) 3.000 1.100 1.100 peak 3212 weight 0.10000E+01 volume 0.26405E-02 ppm1 8.345 ppm2 1.788 CV 1 ASSI { 3218} (( segid " " and resid 65 and name HD1 )) (( segid " " and resid 117 and name HN )) 5.300 3.500 0.700 peak 3218 weight 0.10000E+01 volume 0.56360E-03 ppm1 8.045 ppm2 3.470 CV 1 ASSI { 3250} (( segid " " and resid 119 and name HA )) (( segid " " and resid 140 and name HN )) 3.300 1.400 1.400 peak 3250 weight 0.10000E+01 volume 0.14914E-02 ppm1 8.356 ppm2 4.723 CV 1 ASSI { 3252} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 3.900 1.900 1.900 peak 3252 weight 0.10000E+01 volume 0.12291E-02 ppm1 8.046 ppm2 8.834 CV 1 ASSI { 3253} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HN )) 4.400 2.500 1.600 peak 3253 weight 0.10000E+01 volume 0.88455E-03 ppm1 8.043 ppm2 8.622 CV 1 ASSI { 3254} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HN )) 3.300 1.300 1.300 peak 3254 weight 0.10000E+01 volume 0.15470E-02 ppm1 8.043 ppm2 8.292 CV 1 ASSI { 3256} (( segid " " and resid 143 and name HA )) (( segid " " and resid 117 and name HN )) 3.400 1.500 1.500 peak 3256 weight 0.10000E+01 volume 0.52145E-02 ppm1 8.043 ppm2 4.727 CV 1 ASSI { 3258} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 117 and name HN )) 2.400 0.700 0.700 peak 3258 weight 0.10000E+01 volume 0.58589E-02 ppm1 8.044 ppm2 3.768 CV 1 ASSI { 3259} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HN )) 3.300 1.400 1.400 peak 3259 weight 0.10000E+01 volume 0.20053E-02 ppm1 8.044 ppm2 2.197 CV 1 OR { 3259} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HN )) ASSI { 3263} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 117 and name HN )) 3.800 1.800 1.800 peak 3263 weight 0.10000E+01 volume 0.91035E-03 ppm1 8.045 ppm2 0.961 CV 1 OR { 3263} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 117 and name HN )) ASSI { 3290} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 117 and name HN )) 5.900 4.400 0.100 peak 3290 weight 0.10000E+01 volume 0.41303E-03 ppm1 8.043 ppm2 1.445 CV 1 ASSI { 3302} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HN )) 4.100 2.100 1.900 peak 3302 weight 0.10000E+01 volume 0.11721E-02 ppm1 9.582 ppm2 8.616 CV 1 ASSI { 3303} (( segid " " and resid 131 and name HN )) (( segid " " and resid 128 and name HN )) 3.600 1.600 1.600 peak 3303 weight 0.10000E+01 volume 0.78028E-03 ppm1 9.581 ppm2 8.394 CV 1 ASSI { 3306} (( segid " " and resid 132 and name HA )) (( segid " " and resid 128 and name HN )) 5.200 3.300 0.800 peak 3306 weight 0.10000E+01 volume 0.31637E-03 ppm1 9.580 ppm2 5.639 CV 1 ASSI { 3310} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 128 and name HN )) 4.400 2.400 1.600 peak 3310 weight 0.10000E+01 volume 0.74370E-03 ppm1 9.582 ppm2 4.052 CV 1 OR { 3310} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 128 and name HN )) ASSI { 3311} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 3311 weight 0.10000E+01 volume 0.10400E-02 ppm1 9.582 ppm2 2.290 CV 1 ASSI { 3312} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 3312 weight 0.10000E+01 volume 0.13156E-02 ppm1 9.582 ppm2 2.145 CV 1 ASSI { 3313} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 128 and name HN )) 2.900 1.000 1.000 peak 3313 weight 0.10000E+01 volume 0.16901E-02 ppm1 9.582 ppm2 1.959 CV 1 ASSI { 3325} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.100 0.500 0.500 peak 3325 weight 0.10000E+01 volume 0.53483E-02 ppm1 7.668 ppm2 7.843 CV 1 ASSI { 3327} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HN )) 3.500 1.500 1.500 peak 3327 weight 0.10000E+01 volume 0.13587E-02 ppm1 7.666 ppm2 7.433 CV 1 ASSI { 3331} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HN )) 3.200 1.300 1.300 peak 3331 weight 0.10000E+01 volume 0.36121E-02 ppm1 7.668 ppm2 3.668 CV 1 ASSI { 3332} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HN )) 2.000 0.500 0.500 peak 3332 weight 0.10000E+01 volume 0.27741E-02 ppm1 7.668 ppm2 2.317 CV 1 ASSI { 3333} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 3333 weight 0.10000E+01 volume 0.81301E-02 ppm1 7.669 ppm2 2.006 CV 1 ASSI { 3334} (( segid " " and resid 54 and name HB )) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 3334 weight 0.10000E+01 volume 0.17178E-02 ppm1 7.668 ppm2 1.746 CV 1 ASSI { 3336} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 3336 weight 0.10000E+01 volume 0.27608E-02 ppm1 7.667 ppm2 1.340 CV 1 ASSI { 3338} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 56 and name HN )) 3.800 1.800 1.800 peak 3338 weight 0.10000E+01 volume 0.21330E-02 ppm1 7.667 ppm2 0.556 CV 1 OR { 3338} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 56 and name HN )) ASSI { 3339} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 56 and name HN )) 5.000 3.100 1.000 peak 3339 weight 0.10000E+01 volume 0.58008E-03 ppm1 7.668 ppm2 0.278 CV 1 OR { 3339} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 3367} (( segid " " and resid 12 and name HN )) (( segid " " and resid 130 and name HN )) 4.500 2.500 1.500 peak 3367 weight 0.10000E+01 volume 0.75207E-03 ppm1 8.279 ppm2 8.737 CV 1 ASSI { 3370} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 3370 weight 0.10000E+01 volume 0.11681E-02 ppm1 8.278 ppm2 8.106 CV 1 ASSI { 3377} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.100 0.500 0.500 peak 3377 weight 0.10000E+01 volume 0.13983E-01 ppm1 8.278 ppm2 2.082 CV 1 OR { 3377} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 3384} ( segid " " and resid 49 and name HG1%) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 3384 weight 0.10000E+01 volume 0.33983E-03 ppm1 7.665 ppm2 0.729 CV 1 ASSI { 3456} (( segid " " and resid 128 and name HN )) (( segid " " and resid 130 and name HN )) 4.400 2.400 1.600 peak 3456 weight 0.10000E+01 volume 0.31503E-03 ppm1 8.319 ppm2 9.590 CV 1 ASSI { 3459} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HN )) 4.500 2.600 1.500 peak 3459 weight 0.10000E+01 volume 0.69538E-03 ppm1 8.319 ppm2 7.296 CV 1 ASSI { 3464} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HN )) 3.300 1.300 1.300 peak 3464 weight 0.10000E+01 volume 0.13224E-02 ppm1 8.318 ppm2 2.458 CV 1 ASSI { 3465} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 130 and name HN )) 4.300 2.300 1.700 peak 3465 weight 0.10000E+01 volume 0.89212E-03 ppm1 8.318 ppm2 2.249 CV 1 ASSI { 3476} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 2.200 0.600 0.600 peak 3476 weight 0.10000E+01 volume 0.77925E-02 ppm1 8.019 ppm2 7.320 CV 1 ASSI { 3480} (( segid " " and resid 101 and name HA )) (( segid " " and resid 107 and name HN )) 5.100 3.300 0.900 peak 3480 weight 0.10000E+01 volume 0.83789E-03 ppm1 8.020 ppm2 3.979 CV 1 ASSI { 3483} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 107 and name HN )) 3.000 1.200 1.200 peak 3483 weight 0.10000E+01 volume 0.22982E-02 ppm1 8.019 ppm2 2.454 CV 1 OR { 3483} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 107 and name HN )) ASSI { 3484} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 107 and name HN )) 3.000 1.100 1.100 peak 3484 weight 0.10000E+01 volume 0.37367E-02 ppm1 8.020 ppm2 1.849 CV 1 OR { 3484} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HN )) ASSI { 3485} (( segid " " and resid 107 and name HG )) (( segid " " and resid 107 and name HN )) 2.300 0.600 0.600 peak 3485 weight 0.10000E+01 volume 0.28957E-02 ppm1 8.019 ppm2 1.402 CV 1 ASSI { 3486} (( segid " " and resid 20 and name HG )) (( segid " " and resid 107 and name HN )) 5.200 3.400 0.800 peak 3486 weight 0.10000E+01 volume 0.30769E-03 ppm1 8.020 ppm2 0.966 CV 1 ASSI { 3487} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 107 and name HN )) 4.000 2.000 2.000 peak 3487 weight 0.10000E+01 volume 0.24262E-02 ppm1 8.019 ppm2 0.784 CV 1 ASSI { 3520} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 3520 weight 0.10000E+01 volume 0.98644E-03 ppm1 8.372 ppm2 8.219 CV 1 ASSI { 3545} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HN )) 2.800 1.000 1.000 peak 3545 weight 0.10000E+01 volume 0.25681E-02 ppm1 8.372 ppm2 2.747 CV 1 OR { 3545} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HN )) ASSI { 3546} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.300 1.400 1.400 peak 3546 weight 0.10000E+01 volume 0.21091E-02 ppm1 8.372 ppm2 2.647 CV 1 OR { 3546} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 3547} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 3547 weight 0.10000E+01 volume 0.13447E-02 ppm1 8.372 ppm2 2.211 CV 1 ASSI { 3550} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 53 and name HN )) 4.700 2.700 1.300 peak 3550 weight 0.10000E+01 volume 0.73912E-03 ppm1 8.372 ppm2 1.610 CV 1 ASSI { 3551} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 3551 weight 0.10000E+01 volume 0.14016E-02 ppm1 8.372 ppm2 1.231 CV 1 OR { 3551} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 53 and name HN )) ASSI { 3558} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 23 and name HN )) 5.500 3.800 0.500 peak 3558 weight 0.10000E+01 volume 0.51380E-03 ppm1 7.808 ppm2 7.342 CV 1 ASSI { 3561} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.900 1.000 1.000 peak 3561 weight 0.10000E+01 volume 0.26843E-02 ppm1 7.809 ppm2 4.032 CV 1 ASSI { 3562} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 3562 weight 0.10000E+01 volume 0.23705E-02 ppm1 7.809 ppm2 3.729 CV 1 ASSI { 3563} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 23 and name HN )) 5.400 3.600 0.600 peak 3563 weight 0.10000E+01 volume 0.35514E-03 ppm1 7.810 ppm2 3.455 CV 1 ASSI { 3564} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 23 and name HN )) 4.100 2.100 1.900 peak 3564 weight 0.10000E+01 volume 0.67263E-03 ppm1 7.808 ppm2 2.582 CV 1 ASSI { 3566} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 2.500 0.800 0.800 peak 3566 weight 0.10000E+01 volume 0.69165E-02 ppm1 7.809 ppm2 2.089 CV 1 OR { 3566} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) ASSI { 3592} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HN )) 4.000 2.000 2.000 peak 3592 weight 0.10000E+01 volume 0.75064E-03 ppm1 7.809 ppm2 8.600 CV 1 ASSI { 3593} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 3593 weight 0.10000E+01 volume 0.51840E-02 ppm1 7.808 ppm2 8.289 CV 1 ASSI { 3597} (( segid " " and resid 20 and name HG )) (( segid " " and resid 23 and name HN )) 4.500 2.500 1.500 peak 3597 weight 0.10000E+01 volume 0.72136E-03 ppm1 7.808 ppm2 0.982 CV 1 ASSI { 3616} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HN )) 4.300 2.300 1.700 peak 3616 weight 0.10000E+01 volume 0.31334E-03 ppm1 7.501 ppm2 8.439 CV 1 ASSI { 3619} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 4.200 2.200 1.800 peak 3619 weight 0.10000E+01 volume 0.45467E-03 ppm1 8.490 ppm2 9.093 CV 1 ASSI { 3626} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HN )) 4.500 2.500 1.500 peak 3626 weight 0.10000E+01 volume 0.42678E-03 ppm1 8.492 ppm2 4.888 CV 1 ASSI { 3627} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.000 1.200 1.200 peak 3627 weight 0.10000E+01 volume 0.17251E-02 ppm1 8.492 ppm2 4.453 CV 1 ASSI { 3628} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 3628 weight 0.10000E+01 volume 0.44262E-02 ppm1 8.492 ppm2 4.239 CV 1 ASSI { 3629} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.200 0.600 0.600 peak 3629 weight 0.10000E+01 volume 0.77304E-02 ppm1 8.492 ppm2 3.992 CV 1 OR { 3629} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) ASSI { 3630} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.300 1.400 1.400 peak 3630 weight 0.10000E+01 volume 0.12550E-02 ppm1 8.493 ppm2 2.896 CV 1 ASSI { 3633} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 73 and name HN )) 5.800 4.200 0.200 peak 3633 weight 0.10000E+01 volume 0.48631E-03 ppm1 8.492 ppm2 0.783 CV 1 ASSI { 3637} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 3.200 1.300 1.300 peak 3637 weight 0.10000E+01 volume 0.90917E-03 ppm1 7.501 ppm2 8.288 CV 1 ASSI { 3639} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.300 0.700 0.700 peak 3639 weight 0.10000E+01 volume 0.61110E-02 ppm1 7.501 ppm2 7.771 CV 1 ASSI { 3642} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 76 and name HN )) 5.100 3.300 0.900 peak 3642 weight 0.10000E+01 volume 0.32340E-03 ppm1 7.500 ppm2 6.550 CV 1 ASSI { 3644} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HN )) 3.000 1.100 1.100 peak 3644 weight 0.10000E+01 volume 0.24920E-02 ppm1 7.502 ppm2 4.367 CV 1 ASSI { 3647} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) 3.200 1.300 1.300 peak 3647 weight 0.10000E+01 volume 0.10243E-02 ppm1 7.501 ppm2 3.535 CV 1 ASSI { 3649} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 76 and name HN )) 4.600 2.600 1.400 peak 3649 weight 0.10000E+01 volume 0.49521E-03 ppm1 7.502 ppm2 2.850 CV 1 ASSI { 3653} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 3653 weight 0.10000E+01 volume 0.55155E-03 ppm1 7.502 ppm2 0.631 CV 1 ASSI { 3656} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 4.800 2.800 1.200 peak 3656 weight 0.10000E+01 volume 0.56406E-03 ppm1 6.691 ppm2 8.935 CV 1 ASSI { 3659} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 3659 weight 0.10000E+01 volume 0.30157E-02 ppm1 6.690 ppm2 4.746 CV 1 ASSI { 3676} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 106 and name HN )) 4.400 2.400 1.600 peak 3676 weight 0.10000E+01 volume 0.14008E-02 ppm1 7.317 ppm2 7.489 CV 1 ASSI { 3685} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 50 and name HN )) 2.400 0.700 0.700 peak 3685 weight 0.10000E+01 volume 0.41052E-02 ppm1 6.690 ppm2 1.231 CV 1 OR { 3685} (( segid " " and resid 53 and name HG12)) (( segid " " and resid 50 and name HN )) ASSI { 3686} ( segid " " and resid 49 and name HG1%) (( segid " " and resid 50 and name HN )) 3.400 1.400 1.400 peak 3686 weight 0.10000E+01 volume 0.38977E-02 ppm1 6.690 ppm2 0.720 CV 1 ASSI { 3704} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 106 and name HN )) 5.200 3.400 0.800 peak 3704 weight 0.10000E+01 volume 0.30009E-03 ppm1 7.328 ppm2 0.996 CV 1 ASSI { 3705} (( segid " " and resid 102 and name HN )) (( segid " " and resid 106 and name HN )) 4.600 2.600 1.400 peak 3705 weight 0.10000E+01 volume 0.30713E-03 ppm1 7.319 ppm2 8.516 CV 1 ASSI { 3708} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 106 and name HN )) 2.400 0.700 0.700 peak 3708 weight 0.10000E+01 volume 0.19777E-02 ppm1 7.320 ppm2 7.759 CV 1 ASSI { 3710} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HN )) 2.600 0.800 0.800 peak 3710 weight 0.10000E+01 volume 0.36136E-02 ppm1 7.319 ppm2 4.825 CV 1 ASSI { 3712} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HN )) 2.800 1.000 1.000 peak 3712 weight 0.10000E+01 volume 0.21929E-02 ppm1 7.319 ppm2 3.880 CV 1 OR { 3712} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 106 and name HN )) ASSI { 3715} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HN )) 3.100 1.200 1.200 peak 3715 weight 0.10000E+01 volume 0.53565E-02 ppm1 7.319 ppm2 2.454 CV 1 OR { 3715} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 106 and name HN )) ASSI { 3716} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 106 and name HN )) 4.900 3.100 1.100 peak 3716 weight 0.10000E+01 volume 0.29627E-03 ppm1 7.319 ppm2 2.172 CV 1 OR { 3716} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 106 and name HN )) ASSI { 3719} (( segid " " and resid 107 and name HG )) (( segid " " and resid 106 and name HN )) 4.200 2.200 1.800 peak 3719 weight 0.10000E+01 volume 0.73406E-03 ppm1 7.320 ppm2 1.395 CV 1 ASSI { 3792} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 63 and name HN )) 4.300 2.300 1.700 peak 3792 weight 0.10000E+01 volume 0.62956E-03 ppm1 8.579 ppm2 0.556 CV 1 OR { 3792} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 63 and name HN )) ASSI { 3823} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HN )) 4.100 2.100 1.900 peak 3823 weight 0.10000E+01 volume 0.90006E-03 ppm1 8.265 ppm2 8.516 CV 1 ASSI { 3826} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HN )) 3.900 1.900 1.900 peak 3826 weight 0.10000E+01 volume 0.54658E-03 ppm1 8.263 ppm2 7.332 CV 1 OR { 3826} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 104 and name HN )) ASSI { 3833} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 104 and name HN )) 4.400 2.400 1.600 peak 3833 weight 0.10000E+01 volume 0.81908E-03 ppm1 8.262 ppm2 2.147 CV 1 OR { 3833} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 104 and name HN )) ASSI { 3836} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HN )) 2.800 1.000 1.000 peak 3836 weight 0.10000E+01 volume 0.23302E-02 ppm1 8.263 ppm2 1.311 CV 1 OR { 3836} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HN )) ASSI { 3837} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 104 and name HN )) 5.200 3.400 0.800 peak 3837 weight 0.10000E+01 volume 0.41017E-03 ppm1 8.263 ppm2 1.005 CV 1 ASSI { 3839} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HN )) 3.100 1.200 1.200 peak 3839 weight 0.10000E+01 volume 0.36934E-02 ppm1 8.263 ppm2 0.631 CV 1 ASSI { 3874} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HD21)) 5.500 3.800 0.500 peak 3874 weight 0.10000E+01 volume 0.65167E-03 ppm1 7.306 ppm2 3.866 CV 1 ASSI { 3882} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 106 and name HD21)) 4.400 2.500 1.600 peak 3882 weight 0.10000E+01 volume 0.54218E-03 ppm1 7.310 ppm2 7.478 CV 1 ASSI { 3890} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 106 and name HD22)) 4.500 2.500 1.500 peak 3890 weight 0.10000E+01 volume 0.51257E-03 ppm1 7.755 ppm2 7.476 CV 1 ASSI { 3892} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HD22)) 4.600 2.600 1.400 peak 3892 weight 0.10000E+01 volume 0.64215E-03 ppm1 7.753 ppm2 3.873 CV 1 OR { 3892} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 106 and name HD22)) ASSI { 3894} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 106 and name HD22)) 1.800 0.400 0.400 peak 3894 weight 0.10000E+01 volume 0.94318E-02 ppm1 7.752 ppm2 7.310 CV 1 OR { 3894} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HD22)) ASSI { 3896} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HD22)) 3.000 1.100 1.100 peak 3896 weight 0.10000E+01 volume 0.25546E-02 ppm1 7.752 ppm2 2.457 CV 1 OR { 3896} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 106 and name HD22)) ASSI { 3900} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 106 and name HD21)) 5.100 3.300 0.900 peak 3900 weight 0.10000E+01 volume 0.47914E-03 ppm1 7.311 ppm2 0.535 CV 1 OR { 3900} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 106 and name HD21)) ASSI { 3902} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 106 and name HD21)) 1.800 0.400 0.400 peak 3902 weight 0.10000E+01 volume 0.93978E-02 ppm1 7.309 ppm2 7.754 CV 1 ASSI { 3922} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.300 0.700 0.700 peak 3922 weight 0.10000E+01 volume 0.34877E-02 ppm1 7.841 ppm2 7.292 CV 1 ASSI { 3924} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HN )) 5.200 3.400 0.800 peak 3924 weight 0.10000E+01 volume 0.32445E-03 ppm1 7.840 ppm2 4.224 CV 1 ASSI { 3926} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HN )) 2.700 0.900 0.900 peak 3926 weight 0.10000E+01 volume 0.37508E-02 ppm1 7.842 ppm2 3.606 CV 1 ASSI { 3927} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HN )) 4.800 2.900 1.200 peak 3927 weight 0.10000E+01 volume 0.94160E-03 ppm1 7.841 ppm2 3.030 CV 1 ASSI { 3928} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 57 and name HN )) 4.500 2.500 1.500 peak 3928 weight 0.10000E+01 volume 0.40300E-03 ppm1 7.842 ppm2 2.322 CV 1 ASSI { 3929} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HN )) 3.400 1.400 1.400 peak 3929 weight 0.10000E+01 volume 0.33054E-02 ppm1 7.842 ppm2 1.913 CV 1 ASSI { 3931} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HN )) 3.400 1.500 1.500 peak 3931 weight 0.10000E+01 volume 0.30206E-02 ppm1 7.842 ppm2 0.956 CV 1 ASSI { 3933} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 3933 weight 0.10000E+01 volume 0.66298E-02 ppm1 7.842 ppm2 0.273 CV 1 OR { 3933} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HN )) ASSI { 3937} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 106 and name HD22)) 4.500 2.600 1.500 peak 3937 weight 0.10000E+01 volume 0.59792E-03 ppm1 7.754 ppm2 0.508 CV 1 OR { 3937} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 106 and name HD22)) ASSI { 3949} (( segid " " and resid 124 and name HN )) (( segid " " and resid 138 and name HN )) 5.400 3.600 0.600 peak 3949 weight 0.10000E+01 volume 0.36402E-03 ppm1 8.813 ppm2 9.608 CV 1 ASSI { 3952} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) 4.200 2.300 1.800 peak 3952 weight 0.10000E+01 volume 0.66298E-03 ppm1 8.814 ppm2 8.562 CV 1 ASSI { 3953} (( segid " " and resid 122 and name HN )) (( segid " " and resid 138 and name HN )) 3.200 1.200 1.200 peak 3953 weight 0.10000E+01 volume 0.16794E-02 ppm1 8.813 ppm2 8.218 CV 1 ASSI { 3955} ( segid " " and resid 123 and name HD% ) (( segid " " and resid 138 and name HN )) 5.000 3.100 1.000 peak 3955 weight 0.10000E+01 volume 0.32694E-03 ppm1 8.812 ppm2 6.679 CV 1 ASSI { 3961} (( segid " " and resid 138 and name HB )) (( segid " " and resid 138 and name HN )) 3.500 1.600 1.600 peak 3961 weight 0.10000E+01 volume 0.10037E-02 ppm1 8.813 ppm2 3.807 CV 1 ASSI { 3962} (( segid " " and resid 137 and name HB1 )) (( segid " " and resid 138 and name HN )) 2.800 1.000 1.000 peak 3962 weight 0.10000E+01 volume 0.32020E-02 ppm1 8.813 ppm2 3.579 CV 1 ASSI { 3970} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 4.600 2.600 1.400 peak 3970 weight 0.10000E+01 volume 0.50067E-03 ppm1 8.814 ppm2 10.010 CV 1 ASSI { 3971} (( segid " " and resid 38 and name HN )) (( segid " " and resid 138 and name HN )) 4.700 2.800 1.300 peak 3971 weight 0.10000E+01 volume 0.37636E-03 ppm1 8.811 ppm2 9.209 CV 1 ASSI { 3972} (( segid " " and resid 123 and name HN )) (( segid " " and resid 138 and name HN )) 3.700 1.800 1.800 peak 3972 weight 0.10000E+01 volume 0.11336E-02 ppm1 8.811 ppm2 8.970 CV 1 ASSI { 3974} (( segid " " and resid 122 and name HB )) (( segid " " and resid 138 and name HN )) 3.200 1.300 1.300 peak 3974 weight 0.10000E+01 volume 0.19203E-02 ppm1 8.812 ppm2 1.294 CV 1 ASSI { 3978} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 13 and name HD21)) 5.500 3.700 0.500 peak 3978 weight 0.10000E+01 volume 0.25122E-03 ppm1 7.812 ppm2 6.962 CV 1 ASSI { 3989} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HD22)) 1.800 0.400 0.400 peak 3989 weight 0.10000E+01 volume 0.10474E-01 ppm1 8.110 ppm2 7.803 CV 1 ASSI { 3990} (( segid " " and resid 46 and name HA )) (( segid " " and resid 13 and name HD22)) 4.800 2.900 1.200 peak 3990 weight 0.10000E+01 volume 0.45966E-03 ppm1 8.108 ppm2 5.112 CV 1 ASSI { 3998} (( segid " " and resid 131 and name HN )) (( segid " " and resid 13 and name HD22)) 5.500 3.800 0.500 peak 3998 weight 0.10000E+01 volume 0.24842E-03 ppm1 8.103 ppm2 8.390 CV 1 ASSI { 4000} (( segid " " and resid 130 and name HN )) (( segid " " and resid 13 and name HD21)) 3.800 1.800 1.800 peak 4000 weight 0.10000E+01 volume 0.90438E-03 ppm1 7.796 ppm2 8.271 CV 1 ASSI { 4002} (( segid " " and resid 46 and name HA )) (( segid " " and resid 13 and name HD21)) 4.600 2.700 1.400 peak 4002 weight 0.10000E+01 volume 0.58638E-03 ppm1 7.803 ppm2 5.114 CV 1 ASSI { 4003} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HD21)) 3.900 1.900 1.900 peak 4003 weight 0.10000E+01 volume 0.13192E-02 ppm1 7.803 ppm2 2.584 CV 1 ASSI { 4008} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 4.400 2.400 1.600 peak 4008 weight 0.10000E+01 volume 0.87400E-03 ppm1 7.498 ppm2 8.325 CV 1 ASSI { 4009} (( segid " " and resid 132 and name HD21)) (( segid " " and resid 45 and name HN )) 3.100 1.200 1.200 peak 4009 weight 0.10000E+01 volume 0.13864E-02 ppm1 7.497 ppm2 7.978 CV 1 ASSI { 4011} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 45 and name HN )) 4.200 2.200 1.800 peak 4011 weight 0.10000E+01 volume 0.85371E-03 ppm1 7.498 ppm2 7.012 CV 1 ASSI { 4012} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 4012 weight 0.10000E+01 volume 0.29607E-03 ppm1 7.497 ppm2 6.548 CV 1 ASSI { 4013} (( segid " " and resid 132 and name HA )) (( segid " " and resid 45 and name HN )) 4.800 2.900 1.200 peak 4013 weight 0.10000E+01 volume 0.43704E-03 ppm1 7.496 ppm2 5.641 CV 1 ASSI { 4019} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 4019 weight 0.10000E+01 volume 0.44137E-03 ppm1 8.760 ppm2 9.231 CV 1 ASSI { 4022} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HN )) 4.300 2.300 1.700 peak 4022 weight 0.10000E+01 volume 0.52457E-03 ppm1 8.761 ppm2 7.664 CV 1 ASSI { 4025} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 4025 weight 0.10000E+01 volume 0.31892E-02 ppm1 8.761 ppm2 2.286 CV 1 OR { 4025} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 12 and name HN )) ASSI { 4026} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 4026 weight 0.10000E+01 volume 0.12856E-02 ppm1 8.760 ppm2 1.924 CV 1 ASSI { 4027} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 4027 weight 0.10000E+01 volume 0.21912E-02 ppm1 8.761 ppm2 1.743 CV 1 OR { 4027} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) ASSI { 4028} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 12 and name HN )) 3.200 1.300 1.300 peak 4028 weight 0.10000E+01 volume 0.15135E-02 ppm1 8.761 ppm2 1.515 CV 1 OR { 4028} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 12 and name HN )) OR { 4028} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 12 and name HN )) ASSI { 4029} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HN )) 3.100 1.200 1.200 peak 4029 weight 0.10000E+01 volume 0.53455E-02 ppm1 8.762 ppm2 1.352 CV 1 ASSI { 4035} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HD21)) 3.900 1.900 1.900 peak 4035 weight 0.10000E+01 volume 0.16893E-02 ppm1 7.800 ppm2 2.950 CV 1 ASSI { 4036} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 4.700 2.800 1.300 peak 4036 weight 0.10000E+01 volume 0.25481E-03 ppm1 7.498 ppm2 9.096 CV 1 ASSI { 4037} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 3.500 1.600 1.600 peak 4037 weight 0.10000E+01 volume 0.10238E-02 ppm1 7.497 ppm2 8.916 CV 1 ASSI { 4038} (( segid " " and resid 133 and name HN )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 4038 weight 0.10000E+01 volume 0.12335E-02 ppm1 7.496 ppm2 7.757 CV 1 ASSI { 4042} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.300 0.700 0.700 peak 4042 weight 0.10000E+01 volume 0.11059E-01 ppm1 7.497 ppm2 4.715 CV 1 ASSI { 4043} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.900 1.000 1.000 peak 4043 weight 0.10000E+01 volume 0.52915E-02 ppm1 7.497 ppm2 3.945 CV 1 ASSI { 4044} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HN )) 3.500 1.500 1.500 peak 4044 weight 0.10000E+01 volume 0.10717E-02 ppm1 7.498 ppm2 3.012 CV 1 ASSI { 4047} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 132 and name HN )) 4.800 2.900 1.200 peak 4047 weight 0.10000E+01 volume 0.25464E-03 ppm1 7.291 ppm2 8.062 CV 1 ASSI { 4069} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HN )) 4.500 2.600 1.500 peak 4069 weight 0.10000E+01 volume 0.39374E-03 ppm1 8.758 ppm2 7.883 CV 1 ASSI { 4070} (( segid " " and resid 15 and name HA )) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 4070 weight 0.10000E+01 volume 0.45099E-03 ppm1 8.759 ppm2 4.073 CV 1 ASSI { 4072} (( segid " " and resid 128 and name HN )) (( segid " " and resid 132 and name HN )) 2.800 1.000 1.000 peak 4072 weight 0.10000E+01 volume 0.25909E-02 ppm1 7.292 ppm2 9.585 CV 1 ASSI { 4073} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HN )) 4.400 2.400 1.600 peak 4073 weight 0.10000E+01 volume 0.57962E-03 ppm1 7.291 ppm2 8.583 CV 1 ASSI { 4074} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 2.400 0.700 0.700 peak 4074 weight 0.10000E+01 volume 0.64366E-02 ppm1 7.292 ppm2 8.400 CV 1 ASSI { 4076} (( segid " " and resid 132 and name HD21)) (( segid " " and resid 132 and name HN )) 4.900 3.000 1.100 peak 4076 weight 0.10000E+01 volume 0.41651E-03 ppm1 7.291 ppm2 7.979 CV 1 ASSI { 4080} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HN )) 2.800 1.000 1.000 peak 4080 weight 0.10000E+01 volume 0.23789E-02 ppm1 7.291 ppm2 5.643 CV 1 ASSI { 4081} (( segid " " and resid 127 and name HA )) (( segid " " and resid 132 and name HN )) 3.500 1.500 1.500 peak 4081 weight 0.10000E+01 volume 0.11265E-02 ppm1 7.291 ppm2 5.271 CV 1 ASSI { 4082} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HN )) 2.800 1.000 1.000 peak 4082 weight 0.10000E+01 volume 0.42112E-02 ppm1 7.292 ppm2 5.115 CV 1 ASSI { 4084} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 132 and name HN )) 2.900 1.100 1.100 peak 4084 weight 0.10000E+01 volume 0.23262E-02 ppm1 7.291 ppm2 3.898 CV 1 ASSI { 4085} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HN )) 3.000 1.200 1.200 peak 4085 weight 0.10000E+01 volume 0.19264E-02 ppm1 7.291 ppm2 3.036 CV 1 ASSI { 4086} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HN )) 3.300 1.300 1.300 peak 4086 weight 0.10000E+01 volume 0.34956E-02 ppm1 7.292 ppm2 2.085 CV 1 ASSI { 4100} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 4.800 2.900 1.200 peak 4100 weight 0.10000E+01 volume 0.71985E-03 ppm1 8.853 ppm2 8.694 CV 1 ASSI { 4101} (( segid " " and resid 27 and name HG )) (( segid " " and resid 26 and name HN )) 5.000 3.100 1.000 peak 4101 weight 0.10000E+01 volume 0.43563E-03 ppm1 8.851 ppm2 1.307 CV 1 OR { 4101} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HN )) ASSI { 4116} (( segid " " and resid 37 and name HN )) (( segid " " and resid 26 and name HN )) 5.100 3.200 0.900 peak 4116 weight 0.10000E+01 volume 0.25934E-03 ppm1 8.851 ppm2 9.337 CV 1 ASSI { 4124} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 26 and name HN )) 2.500 0.800 0.800 peak 4124 weight 0.10000E+01 volume 0.64542E-02 ppm1 8.853 ppm2 3.737 CV 1 ASSI { 4166} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 3.600 1.600 1.600 peak 4166 weight 0.10000E+01 volume 0.52483E-03 ppm1 8.453 ppm2 9.238 CV 1 ASSI { 4169} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 14 and name HN )) 4.900 3.000 1.100 peak 4169 weight 0.10000E+01 volume 0.30175E-03 ppm1 8.453 ppm2 8.099 CV 1 ASSI { 4170} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HN )) 4.000 2.000 2.000 peak 4170 weight 0.10000E+01 volume 0.47366E-03 ppm1 8.452 ppm2 7.868 CV 1 ASSI { 4171} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 4171 weight 0.10000E+01 volume 0.17491E-02 ppm1 8.453 ppm2 7.668 CV 1 ASSI { 4178} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 4178 weight 0.10000E+01 volume 0.12522E-02 ppm1 8.453 ppm2 2.936 CV 1 ASSI { 4180} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HN )) 5.000 3.100 1.000 peak 4180 weight 0.10000E+01 volume 0.58566E-03 ppm1 8.452 ppm2 2.286 CV 1 OR { 4180} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 14 and name HN )) ASSI { 4183} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HN )) 4.400 2.400 1.600 peak 4183 weight 0.10000E+01 volume 0.65423E-03 ppm1 8.452 ppm2 1.354 CV 1 ASSI { 4197} (( segid " " and resid 106 and name HN )) (( segid " " and resid 109 and name HD22)) 4.000 2.000 2.000 peak 4197 weight 0.10000E+01 volume 0.48810E-03 ppm1 7.794 ppm2 7.328 CV 1 ASSI { 4207} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HD22)) 2.800 1.000 1.000 peak 4207 weight 0.10000E+01 volume 0.38598E-03 ppm1 7.789 ppm2 4.499 CV 1 ASSI { 4209} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HD22)) 2.700 0.900 0.900 peak 4209 weight 0.10000E+01 volume 0.45521E-02 ppm1 7.788 ppm2 2.825 CV 1 ASSI { 4226} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 109 and name HD21)) 1.400 0.200 0.800 peak 4226 weight 0.10000E+01 volume 0.42481E-01 ppm1 6.900 ppm2 7.790 CV 1 ASSI { 4227} (( segid " " and resid 101 and name HN )) (( segid " " and resid 109 and name HD21)) 4.800 2.800 1.200 peak 4227 weight 0.10000E+01 volume 0.69743E-03 ppm1 6.901 ppm2 7.615 CV 1 ASSI { 4228} (( segid " " and resid 106 and name HN )) (( segid " " and resid 109 and name HD21)) 4.100 2.100 1.900 peak 4228 weight 0.10000E+01 volume 0.59662E-03 ppm1 6.901 ppm2 7.340 CV 1 ASSI { 4235} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HD21)) 5.700 4.000 0.300 peak 4235 weight 0.10000E+01 volume 0.29702E-03 ppm1 6.903 ppm2 4.504 CV 1 ASSI { 4238} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 109 and name HD21)) 4.400 2.400 1.600 peak 4238 weight 0.10000E+01 volume 0.26218E-03 ppm1 6.898 ppm2 2.370 CV 1 OR { 4238} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 109 and name HD21)) ASSI { 4241} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 109 and name HD21)) 6.000 6.000 0.000 peak 4241 weight 0.10000E+01 volume 0.26564E-03 ppm1 6.898 ppm2 1.464 CV 1 OR { 4241} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 109 and name HD21)) ASSI { 4269} (( segid " " and resid 101 and name HN )) (( segid " " and resid 109 and name HD22)) 4.500 2.600 1.500 peak 4269 weight 0.10000E+01 volume 0.84777E-03 ppm1 7.787 ppm2 7.613 CV 1 ASSI { 4319} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 4319 weight 0.10000E+01 volume 0.12950E-02 ppm1 7.845 ppm2 8.087 CV 1 ASSI { 4321} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 33 and name HN )) 5.900 4.400 0.100 peak 4321 weight 0.10000E+01 volume 0.34006E-03 ppm1 7.849 ppm2 6.688 CV 1 ASSI { 4323} (( segid " " and resid 141 and name HA )) (( segid " " and resid 33 and name HN )) 5.400 3.600 0.600 peak 4323 weight 0.10000E+01 volume 0.25379E-03 ppm1 7.847 ppm2 4.992 CV 1 ASSI { 4324} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 33 and name HN )) 4.800 2.900 1.200 peak 4324 weight 0.10000E+01 volume 0.61361E-03 ppm1 7.844 ppm2 4.059 CV 1 ASSI { 4325} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 4325 weight 0.10000E+01 volume 0.12961E-02 ppm1 7.847 ppm2 2.188 CV 1 ASSI { 4326} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 33 and name HN )) 4.500 2.600 1.500 peak 4326 weight 0.10000E+01 volume 0.33359E-03 ppm1 7.846 ppm2 2.053 CV 1 OR { 4326} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 4327} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 33 and name HN )) 4.200 2.300 1.800 peak 4327 weight 0.10000E+01 volume 0.10929E-02 ppm1 7.847 ppm2 0.927 CV 1 ASSI { 4330} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 3.500 1.500 1.500 peak 4330 weight 0.10000E+01 volume 0.64248E-03 ppm1 6.731 ppm2 8.814 CV 1 ASSI { 4331} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 84 and name HN )) 2.900 1.100 1.100 peak 4331 weight 0.10000E+01 volume 0.33748E-02 ppm1 6.731 ppm2 7.390 CV 1 ASSI { 4332} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 84 and name HN )) 3.500 1.500 1.500 peak 4332 weight 0.10000E+01 volume 0.10348E-02 ppm1 6.729 ppm2 7.217 CV 1 ASSI { 4333} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 2.400 0.700 0.700 peak 4333 weight 0.10000E+01 volume 0.52199E-02 ppm1 6.729 ppm2 6.987 CV 1 ASSI { 4335} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.500 0.800 0.800 peak 4335 weight 0.10000E+01 volume 0.61241E-02 ppm1 6.729 ppm2 4.753 CV 1 ASSI { 4336} (( segid " " and resid 85 and name HA )) (( segid " " and resid 84 and name HN )) 5.500 3.800 0.500 peak 4336 weight 0.10000E+01 volume 0.39537E-03 ppm1 6.731 ppm2 4.325 CV 1 ASSI { 4340} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 84 and name HN )) 5.700 4.100 0.300 peak 4340 weight 0.10000E+01 volume 0.43517E-03 ppm1 6.728 ppm2 2.977 CV 1 ASSI { 4342} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 84 and name HN )) 2.900 1.000 1.000 peak 4342 weight 0.10000E+01 volume 0.19033E-02 ppm1 6.730 ppm2 0.678 CV 1 ASSI { 4343} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 84 and name HN )) 4.400 2.400 1.600 peak 4343 weight 0.10000E+01 volume 0.14615E-02 ppm1 6.729 ppm2 -0.489 CV 1 ASSI { 4351} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 4351 weight 0.10000E+01 volume 0.27040E-02 ppm1 7.847 ppm2 8.819 CV 1 ASSI { 4355} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 4355 weight 0.10000E+01 volume 0.45603E-02 ppm1 7.848 ppm2 4.565 CV 1 ASSI { 4357} (( segid " " and resid 140 and name HA )) (( segid " " and resid 33 and name HN )) 4.300 2.300 1.700 peak 4357 weight 0.10000E+01 volume 0.34157E-03 ppm1 7.847 ppm2 4.267 CV 1 ASSI { 4365} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 3.900 1.900 1.900 peak 4365 weight 0.10000E+01 volume 0.70258E-03 ppm1 7.779 ppm2 8.482 CV 1 ASSI { 4369} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HN )) 4.800 2.800 1.200 peak 4369 weight 0.10000E+01 volume 0.78919E-03 ppm1 7.774 ppm2 7.307 CV 1 ASSI { 4370} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 4370 weight 0.10000E+01 volume 0.13553E-02 ppm1 7.774 ppm2 6.530 CV 1 ASSI { 4372} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.300 1.300 1.300 peak 4372 weight 0.10000E+01 volume 0.19984E-02 ppm1 7.773 ppm2 4.243 CV 1 ASSI { 4373} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 2.900 1.000 1.000 peak 4373 weight 0.10000E+01 volume 0.18029E-02 ppm1 7.774 ppm2 4.076 CV 1 ASSI { 4374} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.200 0.600 0.600 peak 4374 weight 0.10000E+01 volume 0.38393E-02 ppm1 7.773 ppm2 3.530 CV 1 ASSI { 4376} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.200 0.600 0.600 peak 4376 weight 0.10000E+01 volume 0.29924E-02 ppm1 7.774 ppm2 2.856 CV 1 ASSI { 4377} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 75 and name HN )) 5.200 3.400 0.800 peak 4377 weight 0.10000E+01 volume 0.26694E-03 ppm1 7.770 ppm2 1.609 CV 1 ASSI { 4389} (( segid " " and resid 84 and name HE1 )) (( segid " " and resid 84 and name HN )) 4.500 2.500 1.500 peak 4389 weight 0.10000E+01 volume 0.41214E-03 ppm1 6.726 ppm2 10.343 CV 1 ASSI { 4390} (( segid " " and resid 56 and name HN )) (( segid " " and resid 62 and name HE22)) 4.000 2.000 2.000 peak 4390 weight 0.10000E+01 volume 0.30523E-02 ppm1 6.729 ppm2 7.675 CV 1 ASSI { 4393} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 84 and name HN )) 5.600 3.900 0.400 peak 4393 weight 0.10000E+01 volume 0.55260E-03 ppm1 6.729 ppm2 1.674 CV 1 ASSI { 4406} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 3.800 1.800 1.800 peak 4406 weight 0.10000E+01 volume 0.13123E-02 ppm1 9.016 ppm2 8.850 CV 1 ASSI { 4408} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 126 and name HN )) 4.900 3.000 1.100 peak 4408 weight 0.10000E+01 volume 0.53696E-03 ppm1 9.016 ppm2 6.525 CV 1 ASSI { 4410} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) 2.000 0.500 0.500 peak 4410 weight 0.10000E+01 volume 0.86786E-02 ppm1 9.015 ppm2 4.829 CV 1 ASSI { 4411} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 126 and name HN )) 2.700 0.900 0.900 peak 4411 weight 0.10000E+01 volume 0.19981E-02 ppm1 9.015 ppm2 3.406 CV 1 ASSI { 4412} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 126 and name HN )) 4.400 2.400 1.600 peak 4412 weight 0.10000E+01 volume 0.51978E-03 ppm1 9.013 ppm2 2.902 CV 1 ASSI { 4415} (( segid " " and resid 133 and name HG )) (( segid " " and resid 126 and name HN )) 4.900 3.000 1.100 peak 4415 weight 0.10000E+01 volume 0.25462E-03 ppm1 9.011 ppm2 1.178 CV 1 ASSI { 4450} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE21)) 4.100 2.100 1.900 peak 4450 weight 0.10000E+01 volume 0.62833E-03 ppm1 7.579 ppm2 8.459 CV 1 ASSI { 4455} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 62 and name HE21)) 4.100 2.100 1.900 peak 4455 weight 0.10000E+01 volume 0.30551E-03 ppm1 7.579 ppm2 7.223 CV 1 ASSI { 4459} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 62 and name HE21)) 1.300 0.200 0.900 peak 4459 weight 0.10000E+01 volume 0.48662E-01 ppm1 7.580 ppm2 6.761 CV 1 ASSI { 4460} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 62 and name HE21)) 2.300 0.600 0.600 peak 4460 weight 0.10000E+01 volume 0.13387E-02 ppm1 7.580 ppm2 6.591 CV 1 ASSI { 4470} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HE21)) 4.900 3.000 1.100 peak 4470 weight 0.10000E+01 volume 0.46924E-03 ppm1 7.580 ppm2 2.013 CV 1 OR { 4470} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HE21)) ASSI { 4483} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE22)) 5.500 3.700 0.500 peak 4483 weight 0.10000E+01 volume 0.51026E-03 ppm1 6.760 ppm2 8.465 CV 1 ASSI { 4484} (( segid " " and resid 107 and name HN )) (( segid " " and resid 19 and name HE22)) 3.900 1.900 1.900 peak 4484 weight 0.10000E+01 volume 0.82758E-03 ppm1 6.761 ppm2 8.054 CV 1 ASSI { 4485} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 19 and name HE22)) 2.700 0.900 0.900 peak 4485 weight 0.10000E+01 volume 0.18041E-02 ppm1 6.760 ppm2 7.747 CV 1 ASSI { 4535} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 19 and name HE22)) 4.700 2.800 1.300 peak 4535 weight 0.10000E+01 volume 0.30462E-03 ppm1 6.761 ppm2 0.543 CV 1 OR { 4535} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 19 and name HE22)) ASSI { 4596} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 19 and name HE22)) 1.500 0.300 0.700 peak 4596 weight 0.10000E+01 volume 0.21739E-01 ppm1 6.758 ppm2 7.460 CV 1 ASSI { 4607} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 19 and name HE21)) 4.000 2.000 2.000 peak 4607 weight 0.10000E+01 volume 0.12907E-02 ppm1 7.460 ppm2 7.303 CV 1 OR { 4607} (( segid " " and resid 106 and name HN )) (( segid " " and resid 19 and name HE21)) ASSI { 4649} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HE21)) 1.500 0.300 0.700 peak 4649 weight 0.10000E+01 volume 0.50617E-01 ppm1 7.565 ppm2 6.740 CV 1 ASSI { 4654} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HE21)) 4.700 2.700 1.300 peak 4654 weight 0.10000E+01 volume 0.46376E-03 ppm1 7.565 ppm2 4.012 CV 1 ASSI { 4655} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HE21)) 3.500 1.500 1.500 peak 4655 weight 0.10000E+01 volume 0.17364E-02 ppm1 7.564 ppm2 2.577 CV 1 ASSI { 4656} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HE21)) 3.000 1.100 1.100 peak 4656 weight 0.10000E+01 volume 0.12181E-02 ppm1 7.565 ppm2 2.372 CV 1 ASSI { 4662} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HD21)) 5.000 3.100 1.000 peak 4662 weight 0.10000E+01 volume 0.33187E-03 ppm1 7.312 ppm2 7.821 CV 1 ASSI { 4664} (( segid " " and resid 90 and name HD22)) (( segid " " and resid 90 and name HD21)) 1.600 0.300 0.600 peak 4664 weight 0.10000E+01 volume 0.18943E-01 ppm1 7.311 ppm2 6.659 CV 1 ASSI { 4665} ( segid " " and resid 85 and name HD% ) (( segid " " and resid 90 and name HD21)) 3.600 1.600 1.600 peak 4665 weight 0.10000E+01 volume 0.13322E-02 ppm1 7.313 ppm2 6.497 CV 1 ASSI { 4666} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HD21)) 3.100 1.200 1.200 peak 4666 weight 0.10000E+01 volume 0.94170E-03 ppm1 7.312 ppm2 4.690 CV 1 ASSI { 4667} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 90 and name HD21)) 4.200 2.200 1.800 peak 4667 weight 0.10000E+01 volume 0.88286E-03 ppm1 7.311 ppm2 2.955 CV 1 ASSI { 4668} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HD21)) 2.800 1.000 1.000 peak 4668 weight 0.10000E+01 volume 0.39530E-02 ppm1 7.311 ppm2 2.749 CV 1 OR { 4668} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HD21)) ASSI { 4669} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 90 and name HD21)) 5.700 4.000 0.300 peak 4669 weight 0.10000E+01 volume 0.31703E-03 ppm1 7.314 ppm2 2.514 CV 1 OR { 4669} (( segid " " and resid 86 and name HG1 )) (( segid " " and resid 90 and name HD21)) ASSI { 4673} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 90 and name HD21)) 3.600 1.600 1.600 peak 4673 weight 0.10000E+01 volume 0.80362E-03 ppm1 7.310 ppm2 3.162 CV 1 ASSI { 4678} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HE22)) 1.500 0.300 0.700 peak 4678 weight 0.10000E+01 volume 0.36341E-01 ppm1 7.196 ppm2 6.751 CV 1 ASSI { 4680} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HE22)) 3.400 1.400 1.400 peak 4680 weight 0.10000E+01 volume 0.32514E-03 ppm1 7.197 ppm2 0.679 CV 1 ASSI { 4702} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HE21)) 5.400 3.600 0.600 peak 4702 weight 0.10000E+01 volume 0.47500E-03 ppm1 6.741 ppm2 8.841 CV 1 ASSI { 4708} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HE21)) 3.100 1.200 1.200 peak 4708 weight 0.10000E+01 volume 0.40446E-02 ppm1 6.745 ppm2 6.919 CV 1 ASSI { 4730} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 90 and name HD22)) 4.900 3.000 1.100 peak 4730 weight 0.10000E+01 volume 0.97597E-03 ppm1 6.662 ppm2 2.955 CV 1 ASSI { 4731} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HD22)) 3.400 1.400 1.400 peak 4731 weight 0.10000E+01 volume 0.37421E-02 ppm1 6.662 ppm2 2.750 CV 1 OR { 4731} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HD22)) ASSI { 4824} (( segid " " and resid 84 and name HA )) (( segid " " and resid 82 and name HE22)) 3.900 1.900 1.900 peak 4824 weight 0.10000E+01 volume 0.17882E-02 ppm1 7.196 ppm2 4.722 CV 1 ASSI { 4826} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HE22)) 3.400 1.400 1.400 peak 4826 weight 0.10000E+01 volume 0.29220E-02 ppm1 7.196 ppm2 1.677 CV 1 ASSI { 4828} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HE22)) 5.300 3.500 0.700 peak 4828 weight 0.10000E+01 volume 0.33907E-03 ppm1 7.195 ppm2 -0.462 CV 1 ASSI { 4837} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HE21)) 6.000 5.100 0.000 peak 4837 weight 0.10000E+01 volume 0.30096E-03 ppm1 6.753 ppm2 -0.453 CV 1 ASSI { 4838} (( segid " " and resid 84 and name HE1 )) (( segid " " and resid 82 and name HE21)) 4.600 2.700 1.400 peak 4838 weight 0.10000E+01 volume 0.31130E-03 ppm1 6.745 ppm2 10.307 CV 1 ASSI { 4883} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 2.400 0.700 0.700 peak 4883 weight 0.10000E+01 volume 0.52877E-02 ppm1 8.256 ppm2 7.321 CV 1 OR { 4883} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 105 and name HN )) ASSI { 4886} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HN )) 2.200 0.600 0.600 peak 4886 weight 0.10000E+01 volume 0.67683E-02 ppm1 8.256 ppm2 3.883 CV 1 OR { 4886} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HN )) ASSI { 4888} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 105 and name HN )) 4.700 2.800 1.300 peak 4888 weight 0.10000E+01 volume 0.61909E-03 ppm1 8.254 ppm2 2.445 CV 1 OR { 4888} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 105 and name HN )) ASSI { 4889} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 105 and name HN )) 3.400 1.400 1.400 peak 4889 weight 0.10000E+01 volume 0.27188E-02 ppm1 8.256 ppm2 1.828 CV 1 ASSI { 4900} (( segid " " and resid 106 and name HD22)) (( segid " " and resid 105 and name HN )) 3.800 1.800 1.800 peak 4900 weight 0.10000E+01 volume 0.81601E-03 ppm1 8.254 ppm2 7.766 CV 1 ASSI { 4903} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 105 and name HN )) 4.800 2.900 1.200 peak 4903 weight 0.10000E+01 volume 0.71450E-03 ppm1 8.255 ppm2 2.162 CV 1 OR { 4903} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 105 and name HN )) ASSI { 4904} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 105 and name HN )) 4.700 2.800 1.300 peak 4904 weight 0.10000E+01 volume 0.59071E-03 ppm1 8.255 ppm2 1.313 CV 1 OR { 4904} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 105 and name HN )) ASSI { 4927} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HE21)) 5.100 3.300 0.900 peak 4927 weight 0.10000E+01 volume 0.53611E-03 ppm1 6.596 ppm2 7.793 CV 1 ASSI { 4961} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HE22)) 3.800 1.900 1.900 peak 4961 weight 0.10000E+01 volume 0.87564E-03 ppm1 7.275 ppm2 8.183 CV 1 ASSI { 4966} (( segid " " and resid 56 and name HE21)) (( segid " " and resid 56 and name HE22)) 1.200 0.200 1.000 peak 4966 weight 0.10000E+01 volume 0.54955E-01 ppm1 7.277 ppm2 6.598 CV 1 ASSI { 4971} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 111 and name HE21)) 2.300 0.700 0.700 peak 4971 weight 0.10000E+01 volume 0.80431E-02 ppm1 7.276 ppm2 4.724 CV 1 ASSI { 4972} (( segid " " and resid 60 and name HA )) (( segid " " and resid 56 and name HE22)) 4.100 2.100 1.900 peak 4972 weight 0.10000E+01 volume 0.26687E-03 ppm1 7.275 ppm2 4.531 CV 1 ASSI { 4974} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 56 and name HE22)) 3.900 1.900 1.900 peak 4974 weight 0.10000E+01 volume 0.10625E-02 ppm1 7.277 ppm2 2.169 CV 1 ASSI { 4989} (( segid " " and resid 61 and name HN )) (( segid " " and resid 56 and name HE21)) 4.700 2.800 1.300 peak 4989 weight 0.10000E+01 volume 0.33249E-03 ppm1 6.598 ppm2 8.560 CV 1 ASSI { 4990} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HE21)) 5.900 4.300 0.100 peak 4990 weight 0.10000E+01 volume 0.33830E-03 ppm1 6.595 ppm2 8.191 CV 1 ASSI { 4993} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 56 and name HE21)) 2.700 0.900 0.900 peak 4993 weight 0.10000E+01 volume 0.29981E-02 ppm1 6.597 ppm2 6.772 CV 1 ASSI { 5003} (( segid " " and resid 53 and name HB )) (( segid " " and resid 56 and name HE21)) 6.000 4.900 0.000 peak 5003 weight 0.10000E+01 volume 0.27472E-03 ppm1 6.594 ppm2 1.784 CV 1 ASSI { 5086} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 111 and name HE22)) 5.000 3.100 1.000 peak 5086 weight 0.10000E+01 volume 0.78233E-03 ppm1 6.807 ppm2 0.564 CV 1 ASSI { 5157} (( segid " " and resid 111 and name HE22)) (( segid " " and resid 111 and name HE21)) 1.400 0.200 0.800 peak 5157 weight 0.10000E+01 volume 0.49749E-01 ppm1 7.267 ppm2 6.805 CV 1 ASSI { 5177} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HE22)) 4.000 2.000 2.000 peak 5177 weight 0.10000E+01 volume 0.14847E-02 ppm1 6.807 ppm2 2.378 CV 1 OR { 5177} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HE22)) ASSI { 5211} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HE21)) 5.800 4.200 0.200 peak 5211 weight 0.10000E+01 volume 0.34283E-03 ppm1 7.519 ppm2 8.816 CV 1 ASSI { 5213} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HE21)) 1.600 0.300 0.600 peak 5213 weight 0.10000E+01 volume 0.24805E-01 ppm1 7.520 ppm2 6.840 CV 1 ASSI { 5214} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HE21)) 3.500 1.600 1.600 peak 5214 weight 0.10000E+01 volume 0.20329E-02 ppm1 7.521 ppm2 4.704 CV 1 ASSI { 5215} (( segid " " and resid 78 and name HN )) (( segid " " and resid 97 and name HE21)) 4.100 2.100 1.900 peak 5215 weight 0.10000E+01 volume 0.38524E-03 ppm1 7.516 ppm2 8.021 CV 1 ASSI { 5217} (( segid " " and resid 79 and name HB )) (( segid " " and resid 97 and name HE21)) 3.600 1.600 1.600 peak 5217 weight 0.10000E+01 volume 0.47221E-03 ppm1 7.516 ppm2 4.483 CV 1 ASSI { 5219} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HE22)) 6.000 5.100 0.000 peak 5219 weight 0.10000E+01 volume 0.28765E-03 ppm1 6.842 ppm2 8.820 CV 1 ASSI { 5221} (( segid " " and resid 78 and name HN )) (( segid " " and resid 97 and name HE22)) 4.900 3.000 1.100 peak 5221 weight 0.10000E+01 volume 0.40602E-03 ppm1 6.838 ppm2 8.005 CV 1 ASSI { 5223} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HE22)) 4.300 2.300 1.700 peak 5223 weight 0.10000E+01 volume 0.19524E-02 ppm1 6.836 ppm2 4.712 CV 1 ASSI { 5224} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HE22)) 4.600 2.600 1.400 peak 5224 weight 0.10000E+01 volume 0.26710E-03 ppm1 6.838 ppm2 4.209 CV 1 ASSI { 5227} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 97 and name HE22)) 4.700 2.800 1.300 peak 5227 weight 0.10000E+01 volume 0.65965E-03 ppm1 6.839 ppm2 1.981 CV 1 ASSI { 5228} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 97 and name HE22)) 3.300 1.300 1.300 peak 5228 weight 0.10000E+01 volume 0.25099E-02 ppm1 6.839 ppm2 0.822 CV 1 ASSI { 5233} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) 4.800 2.900 1.200 peak 5233 weight 0.10000E+01 volume 0.34838E-03 ppm1 7.848 ppm2 10.013 CV 1 ASSI { 5234} (( segid " " and resid 124 and name HN )) (( segid " " and resid 136 and name HN )) 3.500 1.500 1.500 peak 5234 weight 0.10000E+01 volume 0.11561E-02 ppm1 7.850 ppm2 9.611 CV 1 ASSI { 5237} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HN )) 4.500 2.500 1.500 peak 5237 weight 0.10000E+01 volume 0.44805E-03 ppm1 7.850 ppm2 6.792 CV 1 ASSI { 5239} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 136 and name HN )) 3.700 1.700 1.700 peak 5239 weight 0.10000E+01 volume 0.12574E-02 ppm1 7.850 ppm2 5.957 CV 1 ASSI { 5240} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HN )) 2.900 1.000 1.000 peak 5240 weight 0.10000E+01 volume 0.12461E-02 ppm1 7.851 ppm2 5.689 CV 1 ASSI { 5244} (( segid " " and resid 124 and name HB )) (( segid " " and resid 136 and name HN )) 2.800 1.000 1.000 peak 5244 weight 0.10000E+01 volume 0.26679E-02 ppm1 7.849 ppm2 2.430 CV 1 ASSI { 5248} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 136 and name HN )) 2.400 0.700 0.700 peak 5248 weight 0.10000E+01 volume 0.38677E-02 ppm1 7.849 ppm2 0.864 CV 1 OR { 5248} (( segid " " and resid 136 and name HG11)) (( segid " " and resid 136 and name HN )) ASSI { 5255} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HE21)) 2.600 0.900 0.900 peak 5255 weight 0.10000E+01 volume 0.20058E-02 ppm1 7.520 ppm2 2.704 CV 1 ASSI { 5256} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HE21)) 2.900 1.000 1.000 peak 5256 weight 0.10000E+01 volume 0.25514E-02 ppm1 7.520 ppm2 2.508 CV 1 ASSI { 5257} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HE21)) 4.700 2.800 1.300 peak 5257 weight 0.10000E+01 volume 0.58666E-03 ppm1 7.520 ppm2 2.028 CV 1 ASSI { 5258} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 97 and name HE21)) 5.000 3.200 1.000 peak 5258 weight 0.10000E+01 volume 0.59071E-03 ppm1 7.521 ppm2 1.998 CV 1 ASSI { 5259} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HE21)) 4.600 2.600 1.400 peak 5259 weight 0.10000E+01 volume 0.53491E-03 ppm1 7.520 ppm2 1.254 CV 1 ASSI { 5260} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 97 and name HE21)) 3.500 1.600 1.600 peak 5260 weight 0.10000E+01 volume 0.24895E-02 ppm1 7.520 ppm2 0.823 CV 1 ASSI { 5261} (( segid " " and resid 79 and name HB )) (( segid " " and resid 97 and name HE22)) 5.200 3.300 0.800 peak 5261 weight 0.10000E+01 volume 0.36400E-03 ppm1 6.838 ppm2 4.477 CV 1 ASSI { 5263} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 97 and name HE22)) 5.600 3.900 0.400 peak 5263 weight 0.10000E+01 volume 0.52352E-03 ppm1 6.840 ppm2 1.235 CV 1 ASSI { 5273} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 136 and name HN )) 6.000 4.500 0.000 peak 5273 weight 0.10000E+01 volume 0.31404E-03 ppm1 7.857 ppm2 7.363 CV 1 ASSI { 5276} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 97 and name HE21)) 5.100 3.300 0.900 peak 5276 weight 0.10000E+01 volume 0.65866E-03 ppm1 7.525 ppm2 3.758 CV 1 ASSI { 5284} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HN )) 5.100 3.300 0.900 peak 5284 weight 0.10000E+01 volume 0.31255E-03 ppm1 7.626 ppm2 8.545 CV 1 ASSI { 5285} (( segid " " and resid 57 and name HN )) (( segid " " and resid 59 and name HN )) 3.600 1.600 1.600 peak 5285 weight 0.10000E+01 volume 0.19836E-02 ppm1 7.624 ppm2 7.817 CV 1 ASSI { 5287} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 2.600 0.800 0.800 peak 5287 weight 0.10000E+01 volume 0.39870E-02 ppm1 7.623 ppm2 7.286 CV 1 ASSI { 5292} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 59 and name HN )) 2.300 0.700 0.700 peak 5292 weight 0.10000E+01 volume 0.67156E-02 ppm1 7.623 ppm2 3.742 CV 1 ASSI { 5294} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 59 and name HN )) 5.800 4.200 0.200 peak 5294 weight 0.10000E+01 volume 0.28721E-03 ppm1 7.623 ppm2 2.678 CV 1 ASSI { 5295} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 4.500 2.600 1.500 peak 5295 weight 0.10000E+01 volume 0.11315E-02 ppm1 7.623 ppm2 0.494 CV 1 ASSI { 5297} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 5297 weight 0.10000E+01 volume 0.57271E-02 ppm1 7.622 ppm2 3.905 CV 1 ASSI { 5298} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HN )) 5.300 3.500 0.700 peak 5298 weight 0.10000E+01 volume 0.36922E-03 ppm1 7.621 ppm2 0.270 CV 1 OR { 5298} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HN )) ASSI { 5310} (( segid " " and resid 44 and name HA1 )) (( segid " " and resid 44 and name HN )) 3.100 1.200 1.200 peak 5310 weight 0.10000E+01 volume 0.23813E-02 ppm1 8.921 ppm2 4.032 CV 1 OR { 5310} (( segid " " and resid 44 and name HA2 )) (( segid " " and resid 44 and name HN )) ASSI { 5325} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HE21)) 5.400 3.700 0.600 peak 5325 weight 0.10000E+01 volume 0.26175E-03 ppm1 6.534 ppm2 7.830 CV 1 ASSI { 5326} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HE21)) 4.200 2.200 1.800 peak 5326 weight 0.10000E+01 volume 0.45872E-03 ppm1 6.533 ppm2 7.412 CV 1 ASSI { 5335} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 57 and name HE21)) 4.600 2.600 1.400 peak 5335 weight 0.10000E+01 volume 0.34595E-03 ppm1 6.533 ppm2 2.984 CV 1 ASSI { 5336} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 57 and name HE21)) 5.700 4.100 0.300 peak 5336 weight 0.10000E+01 volume 0.25559E-03 ppm1 6.536 ppm2 2.168 CV 1 ASSI { 5340} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HE21)) 4.400 2.400 1.600 peak 5340 weight 0.10000E+01 volume 0.67934E-03 ppm1 6.534 ppm2 0.271 CV 1 OR { 5340} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HE21)) ASSI { 5408} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HD21)) 3.300 1.400 1.400 peak 5408 weight 0.10000E+01 volume 0.10881E-02 ppm1 7.981 ppm2 7.799 CV 1 ASSI { 5411} (( segid " " and resid 132 and name HD22)) (( segid " " and resid 132 and name HD21)) 1.900 0.400 0.400 peak 5411 weight 0.10000E+01 volume 0.10742E-01 ppm1 7.982 ppm2 6.991 CV 1 ASSI { 5412} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HD21)) 2.500 0.800 0.800 peak 5412 weight 0.10000E+01 volume 0.28806E-02 ppm1 7.982 ppm2 5.642 CV 1 ASSI { 5413} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HD21)) 5.000 3.200 1.000 peak 5413 weight 0.10000E+01 volume 0.32427E-03 ppm1 7.980 ppm2 5.117 CV 1 ASSI { 5416} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 132 and name HD21)) 3.700 1.700 1.700 peak 5416 weight 0.10000E+01 volume 0.13358E-02 ppm1 7.981 ppm2 3.039 CV 1 ASSI { 5422} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HD22)) 4.800 2.900 1.200 peak 5422 weight 0.10000E+01 volume 0.10975E-02 ppm1 6.990 ppm2 7.808 CV 1 ASSI { 5425} (( segid " " and resid 46 and name HA )) (( segid " " and resid 132 and name HD22)) 6.000 4.800 0.000 peak 5425 weight 0.10000E+01 volume 0.28491E-03 ppm1 6.990 ppm2 5.116 CV 1 ASSI { 5427} (( segid " " and resid 43 and name HA )) (( segid " " and resid 132 and name HD22)) 3.700 1.700 1.700 peak 5427 weight 0.10000E+01 volume 0.68809E-03 ppm1 6.992 ppm2 4.043 CV 1 ASSI { 5430} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 132 and name HD22)) 4.800 2.900 1.200 peak 5430 weight 0.10000E+01 volume 0.35166E-03 ppm1 6.992 ppm2 0.837 CV 1 OR { 5430} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 132 and name HD22)) ASSI { 5444} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 132 and name HD21)) 4.600 2.700 1.400 peak 5444 weight 0.10000E+01 volume 0.42552E-03 ppm1 7.982 ppm2 1.439 CV 1 ASSI { 5450} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 132 and name HD22)) 5.000 3.200 1.000 peak 5450 weight 0.10000E+01 volume 0.45539E-03 ppm1 6.991 ppm2 1.436 CV 1 ASSI { 5466} (( segid " " and resid 21 and name HN )) (( segid " " and resid 24 and name HN )) 4.600 2.700 1.400 peak 5466 weight 0.10000E+01 volume 0.35488E-03 ppm1 7.540 ppm2 8.543 CV 1 ASSI { 5467} (( segid " " and resid 20 and name HN )) (( segid " " and resid 24 and name HN )) 5.000 3.100 1.000 peak 5467 weight 0.10000E+01 volume 0.33187E-03 ppm1 7.539 ppm2 8.422 CV 1 ASSI { 5468} (( segid " " and resid 22 and name HN )) (( segid " " and resid 24 and name HN )) 4.500 2.600 1.500 peak 5468 weight 0.10000E+01 volume 0.61638E-03 ppm1 7.540 ppm2 8.260 CV 1 ASSI { 5470} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.100 0.500 0.500 peak 5470 weight 0.10000E+01 volume 0.55674E-02 ppm1 7.539 ppm2 7.802 CV 1 ASSI { 5472} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 24 and name HN )) 3.900 1.900 1.900 peak 5472 weight 0.10000E+01 volume 0.16062E-02 ppm1 7.539 ppm2 7.365 CV 1 ASSI { 5476} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HN )) 5.000 3.100 1.000 peak 5476 weight 0.10000E+01 volume 0.52534E-03 ppm1 7.541 ppm2 4.536 CV 1 ASSI { 5477} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 5477 weight 0.10000E+01 volume 0.30579E-02 ppm1 7.540 ppm2 4.260 CV 1 ASSI { 5478} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HN )) 2.900 1.100 1.100 peak 5478 weight 0.10000E+01 volume 0.20372E-02 ppm1 7.540 ppm2 3.918 CV 1 ASSI { 5479} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 5479 weight 0.10000E+01 volume 0.24508E-02 ppm1 7.540 ppm2 3.737 CV 1 ASSI { 5480} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 5480 weight 0.10000E+01 volume 0.24382E-02 ppm1 7.540 ppm2 3.440 CV 1 ASSI { 5482} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HN )) 4.600 2.700 1.400 peak 5482 weight 0.10000E+01 volume 0.71276E-03 ppm1 7.541 ppm2 2.618 CV 1 ASSI { 5483} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HN )) 4.900 3.000 1.100 peak 5483 weight 0.10000E+01 volume 0.69188E-03 ppm1 7.540 ppm2 2.078 CV 1 OR { 5483} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 24 and name HN )) ASSI { 5486} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 24 and name HN )) 4.800 2.900 1.200 peak 5486 weight 0.10000E+01 volume 0.55431E-03 ppm1 7.541 ppm2 0.827 CV 1 ASSI { 5518} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HN )) 4.400 2.400 1.600 peak 5518 weight 0.10000E+01 volume 0.52147E-03 ppm1 8.627 ppm2 9.315 CV 1 ASSI { 5520} (( segid " " and resid 121 and name HN )) (( segid " " and resid 116 and name HN )) 4.000 2.000 2.000 peak 5520 weight 0.10000E+01 volume 0.11293E-02 ppm1 8.627 ppm2 8.440 CV 1 ASSI { 5522} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HN )) 2.100 0.600 0.600 peak 5522 weight 0.10000E+01 volume 0.81995E-02 ppm1 8.626 ppm2 5.271 CV 1 ASSI { 5524} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 116 and name HN )) 3.900 1.900 1.900 peak 5524 weight 0.10000E+01 volume 0.46228E-03 ppm1 8.627 ppm2 4.078 CV 1 ASSI { 5525} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 116 and name HN )) 4.800 2.900 1.200 peak 5525 weight 0.10000E+01 volume 0.41787E-03 ppm1 8.626 ppm2 2.768 CV 1 ASSI { 5526} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 116 and name HN )) 4.000 2.000 2.000 peak 5526 weight 0.10000E+01 volume 0.50947E-03 ppm1 8.628 ppm2 2.249 CV 1 OR { 5526} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 116 and name HN )) ASSI { 5527} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 116 and name HN )) 4.200 2.200 1.800 peak 5527 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.626 ppm2 1.920 CV 1 ASSI { 5528} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 116 and name HN )) 3.900 1.900 1.900 peak 5528 weight 0.10000E+01 volume 0.17434E-02 ppm1 8.626 ppm2 1.631 CV 1 OR { 5528} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 116 and name HN )) OR { 5528} (( segid " " and resid 115 and name HG )) (( segid " " and resid 116 and name HN )) ASSI { 5531} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 116 and name HN )) 5.200 3.400 0.800 peak 5531 weight 0.10000E+01 volume 0.39478E-03 ppm1 8.626 ppm2 0.593 CV 1 OR { 5531} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 116 and name HN )) ASSI { 5535} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 5535 weight 0.10000E+01 volume 0.35307E-02 ppm1 8.625 ppm2 3.767 CV 1 ASSI { 5537} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 116 and name HN )) 5.400 3.700 0.600 peak 5537 weight 0.10000E+01 volume 0.35184E-03 ppm1 8.622 ppm2 2.944 CV 1 ASSI { 5539} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 116 and name HN )) 4.000 2.000 2.000 peak 5539 weight 0.10000E+01 volume 0.69569E-03 ppm1 8.625 ppm2 0.448 CV 1 ASSI { 5564} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 61 and name HN )) 3.300 1.400 1.400 peak 5564 weight 0.10000E+01 volume 0.20551E-02 ppm1 8.576 ppm2 3.134 CV 1 ASSI { 5565} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HN )) 3.400 1.400 1.400 peak 5565 weight 0.10000E+01 volume 0.13835E-02 ppm1 8.577 ppm2 2.681 CV 1 ASSI { 5566} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 61 and name HN )) 5.800 4.200 0.200 peak 5566 weight 0.10000E+01 volume 0.25041E-03 ppm1 8.577 ppm2 0.714 CV 1 ASSI { 5573} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 61 and name HN )) 4.000 2.000 2.000 peak 5573 weight 0.10000E+01 volume 0.64146E-03 ppm1 8.577 ppm2 0.572 CV 1 OR { 5573} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 61 and name HN )) ASSI { 5584} (( segid " " and resid 127 and name HA )) (( segid " " and resid 131 and name HN )) 5.400 3.600 0.600 peak 5584 weight 0.10000E+01 volume 0.30096E-03 ppm1 8.399 ppm2 5.276 CV 1 ASSI { 5596} (( segid " " and resid 132 and name HA )) (( segid " " and resid 131 and name HN )) 5.400 3.600 0.600 peak 5596 weight 0.10000E+01 volume 0.28268E-03 ppm1 8.401 ppm2 5.648 CV 1 ASSI { 5597} (( segid " " and resid 46 and name HA )) (( segid " " and resid 131 and name HN )) 4.200 2.200 1.800 peak 5597 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.401 ppm2 5.116 CV 1 ASSI { 5598} (( segid " " and resid 128 and name HA )) (( segid " " and resid 131 and name HN )) 4.300 2.300 1.700 peak 5598 weight 0.10000E+01 volume 0.58477E-03 ppm1 8.401 ppm2 4.752 CV 1 ASSI { 5600} (( segid " " and resid 131 and name HA2 )) (( segid " " and resid 131 and name HN )) 2.400 0.700 0.700 peak 5600 weight 0.10000E+01 volume 0.59659E-02 ppm1 8.402 ppm2 3.905 CV 1 ASSI { 5602} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 131 and name HN )) 5.000 3.100 1.000 peak 5602 weight 0.10000E+01 volume 0.44812E-03 ppm1 8.402 ppm2 2.291 CV 1 ASSI { 5605} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HN )) 3.300 1.300 1.300 peak 5605 weight 0.10000E+01 volume 0.23089E-02 ppm1 8.401 ppm2 1.445 CV 1 ASSI { 5618} (( segid " " and resid 42 and name HZ3 )) (( segid " " and resid 58 and name HN )) 5.000 3.100 1.000 peak 5618 weight 0.10000E+01 volume 0.25156E-03 ppm1 7.290 ppm2 6.190 CV 1 ASSI { 5621} (( segid " " and resid 55 and name HA )) (( segid " " and resid 58 and name HN )) 3.000 1.100 1.100 peak 5621 weight 0.10000E+01 volume 0.18585E-02 ppm1 7.285 ppm2 3.603 CV 1 ASSI { 5623} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HN )) 3.200 1.300 1.300 peak 5623 weight 0.10000E+01 volume 0.21679E-02 ppm1 7.285 ppm2 0.271 CV 1 OR { 5623} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HN )) ASSI { 5625} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HN )) 4.000 2.000 2.000 peak 5625 weight 0.10000E+01 volume 0.72674E-03 ppm1 7.280 ppm2 3.864 CV 1 ASSI { 5626} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 58 and name HN )) 4.700 2.700 1.300 peak 5626 weight 0.10000E+01 volume 0.80262E-03 ppm1 7.282 ppm2 3.731 CV 1 ASSI { 5628} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 58 and name HN )) 5.800 4.200 0.200 peak 5628 weight 0.10000E+01 volume 0.28831E-03 ppm1 7.278 ppm2 1.908 CV 1 ASSI { 5629} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 58 and name HN )) 4.700 2.700 1.300 peak 5629 weight 0.10000E+01 volume 0.54684E-03 ppm1 7.283 ppm2 1.708 CV 1 ASSI { 5630} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 58 and name HN )) 5.600 3.900 0.400 peak 5630 weight 0.10000E+01 volume 0.43760E-03 ppm1 7.283 ppm2 0.950 CV 1 ASSI { 5631} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 58 and name HN )) 5.200 3.400 0.800 peak 5631 weight 0.10000E+01 volume 0.31212E-03 ppm1 7.280 ppm2 0.704 CV 1 ASSI { 5634} (( segid " " and resid 55 and name HN )) (( segid " " and resid 58 and name HN )) 5.100 3.200 0.900 peak 5634 weight 0.10000E+01 volume 0.25681E-03 ppm1 7.278 ppm2 8.215 CV 1 ASSI { 54} (( segid " " and resid 42 and name HE1 )) (( segid " " and resid 40 and name HB2 )) 3.400 1.400 1.400 peak 54 weight 0.10000E+01 volume 0.96673E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 65} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.900 1.000 1.000 peak 65 weight 0.10000E+01 volume 0.12074E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 68} (( segid " " and resid 42 and name HN )) ( segid " " and resid 134 and name HB% ) 3.700 1.700 1.700 peak 68 weight 0.10000E+01 volume 0.24197E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 69} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD2%) 3.600 3.600 2.400 peak 69 weight 0.10000E+01 volume 0.11343E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 74} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.300 2.300 1.700 peak 74 weight 0.10000E+01 volume 0.60373E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 76} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.300 2.300 1.700 peak 76 weight 0.10000E+01 volume 0.72812E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 79} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG2 )) 4.700 2.800 1.300 peak 79 weight 0.10000E+01 volume 0.65791E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 79} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HG1 )) ASSI { 83} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 83 weight 0.10000E+01 volume 0.70910E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 84} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.700 1.700 1.700 peak 84 weight 0.10000E+01 volume 0.13438E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 84} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 89} (( segid " " and resid 142 and name HN )) (( segid " " and resid 119 and name HA )) 2.000 0.500 0.500 peak 89 weight 0.10000E+01 volume 0.33290E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 90} (( segid " " and resid 142 and name HN )) (( segid " " and resid 117 and name HA )) 4.600 2.600 1.400 peak 90 weight 0.10000E+01 volume 0.35097E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 92} (( segid " " and resid 142 and name HN )) (( segid " " and resid 118 and name HA )) 3.300 1.300 1.300 peak 92 weight 0.10000E+01 volume 0.15373E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 93} (( segid " " and resid 142 and name HN )) (( segid " " and resid 119 and name HB1 )) 6.000 4.800 0.000 peak 93 weight 0.10000E+01 volume 0.33579E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 96} (( segid " " and resid 142 and name HN )) (( segid " " and resid 32 and name HG1 )) 4.500 2.500 1.500 peak 96 weight 0.10000E+01 volume 0.38649E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 96} (( segid " " and resid 142 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 97} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG1 )) 3.200 1.200 1.200 peak 97 weight 0.10000E+01 volume 0.26935E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 97} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG2 )) ASSI { 98} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 2.800 1.000 1.000 peak 98 weight 0.10000E+01 volume 0.18742E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 99} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 99 weight 0.10000E+01 volume 0.24014E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 100} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB )) 4.400 2.500 1.600 peak 100 weight 0.10000E+01 volume 0.63096E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 103} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 3.300 1.300 1.300 peak 103 weight 0.10000E+01 volume 0.81214E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 104} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA )) 2.400 0.700 0.700 peak 104 weight 0.10000E+01 volume 0.41749E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 113} (( segid " " and resid 113 and name HN )) (( segid " " and resid 123 and name HB1 )) 4.100 2.100 1.900 peak 113 weight 0.10000E+01 volume 0.43950E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 117} (( segid " " and resid 115 and name HN )) (( segid " " and resid 121 and name HB1 )) 4.700 2.700 1.300 peak 117 weight 0.10000E+01 volume 0.43773E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 123} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.700 2.800 1.300 peak 123 weight 0.10000E+01 volume 0.32637E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 124} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 124 weight 0.10000E+01 volume 0.49895E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 124} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 127} (( segid " " and resid 43 and name HN )) ( segid " " and resid 41 and name HD1%) 4.300 2.300 1.700 peak 127 weight 0.10000E+01 volume 0.50251E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 129} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 129 weight 0.10000E+01 volume 0.45554E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 135} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 3.000 1.100 1.100 peak 135 weight 0.10000E+01 volume 0.13915E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 139} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.600 0.800 0.800 peak 139 weight 0.10000E+01 volume 0.49271E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 141} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 4.100 2.100 1.900 peak 141 weight 0.10000E+01 volume 0.43225E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 145} (( segid " " and resid 25 and name HN )) ( segid " " and resid 23 and name HB% ) 4.700 2.800 1.300 peak 145 weight 0.10000E+01 volume 0.80106E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 148} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.000 0.500 0.500 peak 148 weight 0.10000E+01 volume 0.85217E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 153} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) 4.100 2.100 1.900 peak 153 weight 0.10000E+01 volume 0.65149E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 157} (( segid " " and resid 141 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.800 2.900 1.200 peak 157 weight 0.10000E+01 volume 0.51333E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 162} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB )) 3.400 1.500 1.500 peak 162 weight 0.10000E+01 volume 0.86894E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 165} (( segid " " and resid 29 and name HN )) (( segid " " and resid 34 and name HA )) 4.600 2.600 1.400 peak 165 weight 0.10000E+01 volume 0.54185E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 173} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB1 )) 5.400 3.600 0.600 peak 173 weight 0.10000E+01 volume 0.44464E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 174} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.700 1.700 1.700 peak 174 weight 0.10000E+01 volume 0.96642E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 179} (( segid " " and resid 46 and name HN )) ( segid " " and resid 53 and name HG2%) 3.800 1.800 1.800 peak 179 weight 0.10000E+01 volume 0.61540E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 182} (( segid " " and resid 91 and name HN )) (( segid " " and resid 87 and name HA )) 2.400 2.400 3.600 peak 182 weight 0.10000E+01 volume 0.13069E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 183} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HA )) 3.000 1.100 1.100 peak 183 weight 0.10000E+01 volume 0.28440E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 184} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HA )) 4.500 2.600 1.500 peak 184 weight 0.10000E+01 volume 0.85977E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 185} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HA )) 4.800 2.900 1.200 peak 185 weight 0.10000E+01 volume 0.60783E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 188} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HG1%) 4.500 2.500 1.500 peak 188 weight 0.10000E+01 volume 0.24599E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 189} (( segid " " and resid 91 and name HN )) (( segid " " and resid 87 and name HB1 )) 2.800 2.800 3.200 peak 189 weight 0.10000E+01 volume 0.43110E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 189} (( segid " " and resid 91 and name HN )) (( segid " " and resid 87 and name HB2 )) ASSI { 192} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HG2 )) 5.800 4.200 0.200 peak 192 weight 0.10000E+01 volume 0.38521E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 192} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HG1 )) ASSI { 196} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB2 )) 5.600 3.900 0.400 peak 196 weight 0.10000E+01 volume 0.74040E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 196} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 197} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HB% ) 2.000 2.000 4.000 peak 197 weight 0.10000E+01 volume 0.21683E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 203} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 203 weight 0.10000E+01 volume 0.56017E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 204} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 204 weight 0.10000E+01 volume 0.64852E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 205} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HD1 )) 4.800 2.900 1.200 peak 205 weight 0.10000E+01 volume 0.99629E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 206} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA2 )) 3.800 1.800 1.800 peak 206 weight 0.10000E+01 volume 0.42012E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 207} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA1 )) 4.200 2.300 1.800 peak 207 weight 0.10000E+01 volume 0.56130E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 209} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.100 1.200 1.200 peak 209 weight 0.10000E+01 volume 0.26776E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 209} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 210} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HG1 )) 4.900 3.000 1.100 peak 210 weight 0.10000E+01 volume 0.80551E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 210} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 219} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG1 )) 4.500 2.500 1.500 peak 219 weight 0.10000E+01 volume 0.83720E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 220} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG2 )) 5.300 3.500 0.700 peak 220 weight 0.10000E+01 volume 0.58249E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 222} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.800 1.000 1.000 peak 222 weight 0.10000E+01 volume 0.14934E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 239} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 239 weight 0.10000E+01 volume 0.34979E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 248} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 3.500 1.500 1.500 peak 248 weight 0.10000E+01 volume 0.15180E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 250} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HG1 )) 4.400 2.400 1.600 peak 250 weight 0.10000E+01 volume 0.53995E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 255} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.300 1.300 1.300 peak 255 weight 0.10000E+01 volume 0.39330E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 255} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 260} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE1 )) 4.400 2.400 1.600 peak 260 weight 0.10000E+01 volume 0.10375E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 260} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE2 )) ASSI { 261} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 261 weight 0.10000E+01 volume 0.89932E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 262} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.100 1.200 1.200 peak 262 weight 0.10000E+01 volume 0.50750E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 262} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 267} (( segid " " and resid 64 and name HN )) (( segid " " and resid 60 and name HB2 )) 4.500 2.500 1.500 peak 267 weight 0.10000E+01 volume 0.33889E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 278} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.900 3.000 1.100 peak 278 weight 0.10000E+01 volume 0.35826E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 278} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 280} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 2.200 0.600 0.600 peak 280 weight 0.10000E+01 volume 0.56741E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 281} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA )) 3.200 1.300 1.300 peak 281 weight 0.10000E+01 volume 0.89839E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 286} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) 3.000 1.100 1.100 peak 286 weight 0.10000E+01 volume 0.10670E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 287} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB )) 4.200 2.200 1.800 peak 287 weight 0.10000E+01 volume 0.62162E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 292} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.600 0.900 0.900 peak 292 weight 0.10000E+01 volume 0.14254E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 296} (( segid " " and resid 32 and name HN )) ( segid " " and resid 141 and name HG2%) 4.300 2.300 1.700 peak 296 weight 0.10000E+01 volume 0.16857E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 297} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) 2.900 1.000 1.000 peak 297 weight 0.10000E+01 volume 0.28389E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 297} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG1 )) ASSI { 298} (( segid " " and resid 32 and name HN )) (( segid " " and resid 142 and name HG2 )) 5.000 3.200 1.000 peak 298 weight 0.10000E+01 volume 0.30787E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 299} (( segid " " and resid 32 and name HN )) (( segid " " and resid 141 and name HB )) 4.300 2.300 1.700 peak 299 weight 0.10000E+01 volume 0.10700E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 303} (( segid " " and resid 68 and name HN )) ( segid " " and resid 69 and name HG2%) 3.700 1.700 1.700 peak 303 weight 0.10000E+01 volume 0.94812E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 305} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 305 weight 0.10000E+01 volume 0.17973E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 306} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.400 0.700 0.700 peak 306 weight 0.10000E+01 volume 0.75973E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 307} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB )) 3.300 1.400 1.400 peak 307 weight 0.10000E+01 volume 0.19910E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 309} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.600 1.600 1.600 peak 309 weight 0.10000E+01 volume 0.28471E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 309} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) ASSI { 311} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HG2%) 3.800 1.800 1.800 peak 311 weight 0.10000E+01 volume 0.18228E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 315} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 315 weight 0.10000E+01 volume 0.27577E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 315} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 316} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.200 0.600 0.600 peak 316 weight 0.10000E+01 volume 0.69600E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 319} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.500 2.500 1.500 peak 319 weight 0.10000E+01 volume 0.39629E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 320} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HE% ) 2.500 2.500 3.500 peak 320 weight 0.10000E+01 volume 0.81329E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 322} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.000 2.000 2.000 peak 322 weight 0.10000E+01 volume 0.13777E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 324} (( segid " " and resid 125 and name HN )) (( segid " " and resid 110 and name HA )) 4.300 2.400 1.700 peak 324 weight 0.10000E+01 volume 0.44853E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 326} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.100 0.600 0.600 peak 326 weight 0.10000E+01 volume 0.67969E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 330} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.300 1.300 1.300 peak 330 weight 0.10000E+01 volume 0.21567E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 333} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 3.200 1.200 1.200 peak 333 weight 0.10000E+01 volume 0.27278E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 338} (( segid " " and resid 134 and name HN )) ( segid " " and resid 133 and name HD1%) 2.600 2.600 3.400 peak 338 weight 0.10000E+01 volume 0.73029E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 339} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HB% ) 2.500 2.500 3.500 peak 339 weight 0.10000E+01 volume 0.50031E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 350} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.500 1.600 1.600 peak 350 weight 0.10000E+01 volume 0.12860E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 350} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 355} (( segid " " and resid 67 and name HN )) (( segid " " and resid 113 and name HA )) 4.300 2.300 1.700 peak 355 weight 0.10000E+01 volume 0.67650E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 356} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA )) 4.200 2.200 1.800 peak 356 weight 0.10000E+01 volume 0.33205E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 361} (( segid " " and resid 67 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.200 1.300 1.300 peak 361 weight 0.10000E+01 volume 0.16873E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 361} (( segid " " and resid 67 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 362} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.800 1.000 1.000 peak 362 weight 0.10000E+01 volume 0.40802E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 362} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 367} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HD2 )) 4.700 2.800 1.300 peak 367 weight 0.10000E+01 volume 0.10178E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 367} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HD1 )) ASSI { 370} (( segid " " and resid 108 and name HN )) ( segid " " and resid 16 and name HD1%) 6.000 4.800 0.000 peak 370 weight 0.10000E+01 volume 0.30014E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 371} (( segid " " and resid 108 and name HN )) (( segid " " and resid 127 and name HA )) 4.600 2.600 1.400 peak 371 weight 0.10000E+01 volume 0.35634E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 373} (( segid " " and resid 108 and name HN )) (( segid " " and resid 126 and name HA2 )) 4.200 2.200 1.800 peak 373 weight 0.10000E+01 volume 0.50164E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 374} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.300 1.400 1.400 peak 374 weight 0.10000E+01 volume 0.75077E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 374} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 377} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG2 )) 5.000 3.200 1.000 peak 377 weight 0.10000E+01 volume 0.36136E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 386} (( segid " " and resid 139 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 386 weight 0.10000E+01 volume 0.18354E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 390} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 390 weight 0.10000E+01 volume 0.17210E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 400} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HG12)) 4.900 3.100 1.100 peak 400 weight 0.10000E+01 volume 0.40707E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 401} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 4.600 2.600 1.400 peak 401 weight 0.10000E+01 volume 0.46368E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 402} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.500 1.600 1.600 peak 402 weight 0.10000E+01 volume 0.10231E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 406} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB1 )) 4.700 2.800 1.300 peak 406 weight 0.10000E+01 volume 0.50335E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 406} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 408} (( segid " " and resid 15 and name HN )) ( segid " " and resid 12 and name HG2%) 4.800 2.900 1.200 peak 408 weight 0.10000E+01 volume 0.91268E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 413} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG1 )) 2.800 1.000 1.000 peak 413 weight 0.10000E+01 volume 0.55638E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 413} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG2 )) ASSI { 415} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.900 4.300 0.100 peak 415 weight 0.10000E+01 volume 0.33231E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 415} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 418} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.200 1.300 1.300 peak 418 weight 0.10000E+01 volume 0.14427E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 426} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 426 weight 0.10000E+01 volume 0.15891E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 427} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.300 2.300 1.700 peak 427 weight 0.10000E+01 volume 0.11617E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 427} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 430} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.300 1.400 1.400 peak 430 weight 0.10000E+01 volume 0.23518E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 431} (( segid " " and resid 21 and name HN )) ( segid " " and resid 17 and name HD1%) 4.500 2.600 1.500 peak 431 weight 0.10000E+01 volume 0.40042E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 433} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HG1 )) 4.200 2.200 1.800 peak 433 weight 0.10000E+01 volume 0.62633E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 439} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HA )) 3.500 1.600 1.600 peak 439 weight 0.10000E+01 volume 0.91708E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 440} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 3.200 1.300 1.300 peak 440 weight 0.10000E+01 volume 0.17775E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 441} (( segid " " and resid 102 and name HN )) (( segid " " and resid 105 and name HB2 )) 5.500 3.700 0.500 peak 441 weight 0.10000E+01 volume 0.29307E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 443} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) 4.700 2.800 1.300 peak 443 weight 0.10000E+01 volume 0.41132E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 445} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 2.700 0.900 0.900 peak 445 weight 0.10000E+01 volume 0.51021E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 445} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 446} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HD2 )) 3.700 3.700 2.300 peak 446 weight 0.10000E+01 volume 0.64276E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 449} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HG2%) 2.700 0.900 0.900 peak 449 weight 0.10000E+01 volume 0.13017E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 450} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG2 )) 3.500 1.600 1.600 peak 450 weight 0.10000E+01 volume 0.11942E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 450} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG1 )) ASSI { 452} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB )) 2.400 0.700 0.700 peak 452 weight 0.10000E+01 volume 0.60624E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 453} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HB )) 5.100 3.300 0.900 peak 453 weight 0.10000E+01 volume 0.45339E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 454} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) 4.500 2.500 1.500 peak 454 weight 0.10000E+01 volume 0.75297E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 455} (( segid " " and resid 85 and name HN )) (( segid " " and resid 81 and name HA )) 5.000 3.100 1.000 peak 455 weight 0.10000E+01 volume 0.43957E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 456} (( segid " " and resid 85 and name HN )) (( segid " " and resid 89 and name HB2 )) 5.600 4.000 0.400 peak 456 weight 0.10000E+01 volume 0.29098E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 467} (( segid " " and resid 86 and name HN )) (( segid " " and resid 89 and name HA )) 4.600 2.600 1.400 peak 467 weight 0.10000E+01 volume 0.59421E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 474} (( segid " " and resid 86 and name HN )) (( segid " " and resid 93 and name HB )) 5.100 3.300 0.900 peak 474 weight 0.10000E+01 volume 0.37254E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 475} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HG1 )) 4.600 2.700 1.400 peak 475 weight 0.10000E+01 volume 0.17343E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 475} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HG2 )) ASSI { 478} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HB1 )) 5.200 3.400 0.800 peak 478 weight 0.10000E+01 volume 0.35557E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 485} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HA )) 4.700 2.800 1.300 peak 485 weight 0.10000E+01 volume 0.29786E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 486} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 486 weight 0.10000E+01 volume 0.72981E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 487} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.200 1.200 peak 487 weight 0.10000E+01 volume 0.19793E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 488} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.600 0.800 0.800 peak 488 weight 0.10000E+01 volume 0.39939E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 488} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 489} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG2 )) 3.500 1.500 1.500 peak 489 weight 0.10000E+01 volume 0.15728E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 489} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG1 )) ASSI { 495} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HD2 )) 4.900 3.000 1.100 peak 495 weight 0.10000E+01 volume 0.47771E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 495} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HD1 )) ASSI { 498} (( segid " " and resid 40 and name HN )) (( segid " " and resid 136 and name HA )) 3.500 1.500 1.500 peak 498 weight 0.10000E+01 volume 0.28639E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 499} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 499 weight 0.10000E+01 volume 0.23200E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 501} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.000 0.500 0.500 peak 501 weight 0.10000E+01 volume 0.18323E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 505} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG2%) 3.100 3.100 2.900 peak 505 weight 0.10000E+01 volume 0.94500E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 506} (( segid " " and resid 40 and name HN )) ( segid " " and resid 17 and name HD1%) 4.100 2.100 1.900 peak 506 weight 0.10000E+01 volume 0.84426E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 511} (( segid " " and resid 40 and name HN )) (( segid " " and resid 135 and name HA1 )) 4.300 2.400 1.700 peak 511 weight 0.10000E+01 volume 0.30288E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 512} (( segid " " and resid 40 and name HN )) (( segid " " and resid 134 and name HA )) 4.400 2.400 1.600 peak 512 weight 0.10000E+01 volume 0.51280E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 516} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 516 weight 0.10000E+01 volume 0.58223E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 519} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB )) 2.000 0.500 0.500 peak 519 weight 0.10000E+01 volume 0.89374E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 520} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 2.800 1.000 1.000 peak 520 weight 0.10000E+01 volume 0.37144E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 521} (( segid " " and resid 40 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.700 0.000 peak 521 weight 0.10000E+01 volume 0.29589E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 527} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.400 2.400 1.600 peak 527 weight 0.10000E+01 volume 0.10248E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 527} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 532} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 3.800 1.800 1.800 peak 532 weight 0.10000E+01 volume 0.13548E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 535} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.000 1.100 1.100 peak 535 weight 0.10000E+01 volume 0.10954E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 543} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.700 0.900 0.900 peak 543 weight 0.10000E+01 volume 0.43382E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 545} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) 3.700 1.700 1.700 peak 545 weight 0.10000E+01 volume 0.17773E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 547} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.300 2.300 1.700 peak 547 weight 0.10000E+01 volume 0.88982E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 549} (( segid " " and resid 85 and name HN )) (( segid " " and resid 89 and name HB1 )) 5.800 4.300 0.200 peak 549 weight 0.10000E+01 volume 0.44554E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 552} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 2.800 3.200 peak 552 weight 0.10000E+01 volume 0.44405E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 553} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) 2.400 0.700 0.700 peak 553 weight 0.10000E+01 volume 0.56872E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 554} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HB1 )) 4.200 2.200 1.800 peak 554 weight 0.10000E+01 volume 0.64732E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 555} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HG1 )) 2.800 2.800 3.200 peak 555 weight 0.10000E+01 volume 0.46240E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 563} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG1 )) 3.700 1.700 1.700 peak 563 weight 0.10000E+01 volume 0.24143E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 563} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) ASSI { 565} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.000 1.100 1.100 peak 565 weight 0.10000E+01 volume 0.31207E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 566} (( segid " " and resid 38 and name HN )) (( segid " " and resid 136 and name HB )) 3.200 1.300 1.300 peak 566 weight 0.10000E+01 volume 0.69869E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 576} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 3.300 1.300 1.300 peak 576 weight 0.10000E+01 volume 0.15023E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 578} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.200 2.200 1.800 peak 578 weight 0.10000E+01 volume 0.82781E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 579} (( segid " " and resid 96 and name HN )) ( segid " " and resid 94 and name HB% ) 4.200 2.200 1.800 peak 579 weight 0.10000E+01 volume 0.10791E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 580} (( segid " " and resid 96 and name HN )) ( segid " " and resid 93 and name HG1%) 2.800 2.800 3.200 peak 580 weight 0.10000E+01 volume 0.48613E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 590} (( segid " " and resid 121 and name HN )) (( segid " " and resid 116 and name HA2 )) 4.800 2.900 1.200 peak 590 weight 0.10000E+01 volume 0.30485E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 593} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 3.500 1.500 1.500 peak 593 weight 0.10000E+01 volume 0.11252E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 595} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.800 1.000 1.000 peak 595 weight 0.10000E+01 volume 0.18744E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 597} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 597 weight 0.10000E+01 volume 0.19782E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 599} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 2.700 0.900 0.900 peak 599 weight 0.10000E+01 volume 0.74898E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 603} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) 2.800 1.000 1.000 peak 603 weight 0.10000E+01 volume 0.30359E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 605} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HB2 )) 4.500 2.500 1.500 peak 605 weight 0.10000E+01 volume 0.56273E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 606} (( segid " " and resid 119 and name HN )) (( segid " " and resid 65 and name HG2 )) 2.900 2.900 3.100 peak 606 weight 0.10000E+01 volume 0.41029E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 607} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.100 0.500 0.500 peak 607 weight 0.10000E+01 volume 0.22129E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 611} (( segid " " and resid 143 and name HN )) (( segid " " and resid 118 and name HA )) 4.700 2.800 1.300 peak 611 weight 0.10000E+01 volume 0.40090E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 617} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HG2 )) 3.500 1.500 1.500 peak 617 weight 0.10000E+01 volume 0.29182E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 618} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.500 1.500 1.500 peak 618 weight 0.10000E+01 volume 0.30789E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 619} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.000 1.100 1.100 peak 619 weight 0.10000E+01 volume 0.20432E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 629} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HG2%) 2.200 2.200 3.800 peak 629 weight 0.10000E+01 volume 0.76700E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 635} (( segid " " and resid 114 and name HN )) (( segid " " and resid 68 and name HA )) 3.400 1.500 1.500 peak 635 weight 0.10000E+01 volume 0.13639E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 639} (( segid " " and resid 114 and name HN )) (( segid " " and resid 66 and name HB1 )) 4.500 2.600 1.500 peak 639 weight 0.10000E+01 volume 0.29159E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 641} (( segid " " and resid 114 and name HN )) (( segid " " and resid 66 and name HA )) 4.500 2.500 1.500 peak 641 weight 0.10000E+01 volume 0.50146E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 643} (( segid " " and resid 114 and name HN )) (( segid " " and resid 67 and name HG2 )) 5.000 3.100 1.000 peak 643 weight 0.10000E+01 volume 0.30096E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 643} (( segid " " and resid 114 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 644} (( segid " " and resid 114 and name HN )) ( segid " " and resid 69 and name HG2%) 4.200 2.200 1.800 peak 644 weight 0.10000E+01 volume 0.40712E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 646} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.900 1.100 1.100 peak 646 weight 0.10000E+01 volume 0.17354E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 648} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD2 )) 5.400 3.600 0.600 peak 648 weight 0.10000E+01 volume 0.40313E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 650} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB2 )) 3.000 1.100 1.100 peak 650 weight 0.10000E+01 volume 0.37981E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 650} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 651} (( segid " " and resid 114 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.100 2.100 1.900 peak 651 weight 0.10000E+01 volume 0.80045E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 651} (( segid " " and resid 114 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 652} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.500 2.500 3.500 peak 652 weight 0.10000E+01 volume 0.11358E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 656} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG2 )) 4.800 2.900 1.200 peak 656 weight 0.10000E+01 volume 0.68453E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 659} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG2%) 2.700 0.900 0.900 peak 659 weight 0.10000E+01 volume 0.85709E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 669} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 669 weight 0.10000E+01 volume 0.30651E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 670} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 2.900 1.100 1.100 peak 670 weight 0.10000E+01 volume 0.86586E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 675} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HB1 )) 5.100 3.300 0.900 peak 675 weight 0.10000E+01 volume 0.27902E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 678} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HG2%) 2.700 0.900 0.900 peak 678 weight 0.10000E+01 volume 0.71230E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 678} (( segid " " and resid 118 and name HN )) ( segid " " and resid 118 and name HG1%) ASSI { 680} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HG1 )) 3.600 1.700 1.700 peak 680 weight 0.10000E+01 volume 0.26428E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 682} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.800 1.800 1.800 peak 682 weight 0.10000E+01 volume 0.18036E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 684} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HD1 )) 5.300 3.500 0.700 peak 684 weight 0.10000E+01 volume 0.29374E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 704} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.300 1.300 1.300 peak 704 weight 0.10000E+01 volume 0.16904E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 705} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.700 1.700 peak 705 weight 0.10000E+01 volume 0.72630E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 707} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.200 1.300 1.300 peak 707 weight 0.10000E+01 volume 0.51129E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 707} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 708} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG2 )) 3.100 1.200 1.200 peak 708 weight 0.10000E+01 volume 0.20221E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 708} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG1 )) ASSI { 710} (( segid " " and resid 35 and name HN )) ( segid " " and resid 28 and name HD1%) 4.500 2.500 1.500 peak 710 weight 0.10000E+01 volume 0.97855E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 715} (( segid " " and resid 35 and name HN )) (( segid " " and resid 28 and name HA )) 4.700 2.800 1.300 peak 715 weight 0.10000E+01 volume 0.78796E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 717} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HD1 )) 5.100 3.200 0.900 peak 717 weight 0.10000E+01 volume 0.51799E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 717} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HD2 )) ASSI { 720} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 720 weight 0.10000E+01 volume 0.21401E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 722} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.800 1.800 1.800 peak 722 weight 0.10000E+01 volume 0.14851E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 722} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) ASSI { 728} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 2.900 1.000 1.000 peak 728 weight 0.10000E+01 volume 0.27275E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 729} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.500 1.500 1.500 peak 729 weight 0.10000E+01 volume 0.17194E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 730} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 730 weight 0.10000E+01 volume 0.18645E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 734} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG )) 4.900 3.000 1.100 peak 734 weight 0.10000E+01 volume 0.57049E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 735} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG2 )) 3.900 1.900 1.900 peak 735 weight 0.10000E+01 volume 0.13462E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 735} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG1 )) ASSI { 739} (( segid " " and resid 99 and name HN )) ( segid " " and resid 102 and name HG2%) 4.200 2.200 1.800 peak 739 weight 0.10000E+01 volume 0.11736E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 744} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.100 3.200 0.900 peak 744 weight 0.10000E+01 volume 0.65333E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 744} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 746} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB1 )) 2.700 0.900 0.900 peak 746 weight 0.10000E+01 volume 0.20597E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 746} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) ASSI { 747} (( segid " " and resid 93 and name HN )) (( segid " " and resid 90 and name HA )) 2.900 1.100 1.100 peak 747 weight 0.10000E+01 volume 0.27152E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 758} (( segid " " and resid 111 and name HN )) (( segid " " and resid 124 and name HA )) 4.000 2.000 2.000 peak 758 weight 0.10000E+01 volume 0.57688E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 759} (( segid " " and resid 111 and name HN )) (( segid " " and resid 126 and name HA1 )) 4.100 2.100 1.900 peak 759 weight 0.10000E+01 volume 0.71007E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 762} (( segid " " and resid 111 and name HN )) (( segid " " and resid 125 and name HB )) 4.700 2.700 1.300 peak 762 weight 0.10000E+01 volume 0.45391E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 763} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.700 0.900 0.900 peak 763 weight 0.10000E+01 volume 0.52972E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 771} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 4.100 2.100 1.900 peak 771 weight 0.10000E+01 volume 0.49803E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 772} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.600 0.900 0.900 peak 772 weight 0.10000E+01 volume 0.55572E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 773} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 3.100 1.200 1.200 peak 773 weight 0.10000E+01 volume 0.24296E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 774} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HA )) 5.100 3.200 0.900 peak 774 weight 0.10000E+01 volume 0.30011E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 776} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HB1 )) 4.200 2.200 1.800 peak 776 weight 0.10000E+01 volume 0.77263E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 776} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HB2 )) ASSI { 777} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 2.800 1.000 1.000 peak 777 weight 0.10000E+01 volume 0.17175E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 779} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG1 )) 3.700 1.700 1.700 peak 779 weight 0.10000E+01 volume 0.36589E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 779} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HG2 )) ASSI { 780} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG2 )) 5.000 3.100 1.000 peak 780 weight 0.10000E+01 volume 0.73237E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 789} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB1 )) 2.400 0.700 0.700 peak 789 weight 0.10000E+01 volume 0.40021E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 789} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 790} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HE2 )) 5.600 3.900 0.400 peak 790 weight 0.10000E+01 volume 0.27785E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 790} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HE1 )) ASSI { 793} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HA )) 5.200 3.400 0.800 peak 793 weight 0.10000E+01 volume 0.43481E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 794} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HA )) 3.800 1.800 1.800 peak 794 weight 0.10000E+01 volume 0.77309E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 795} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HA )) 3.300 1.300 1.300 peak 795 weight 0.10000E+01 volume 0.21141E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 801} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HG1%) 2.900 1.100 1.100 peak 801 weight 0.10000E+01 volume 0.15613E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 802} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB )) 2.000 0.500 0.500 peak 802 weight 0.10000E+01 volume 0.85829E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 806} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 2.800 2.800 3.200 peak 806 weight 0.10000E+01 volume 0.36735E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 809} (( segid " " and resid 39 and name HN )) (( segid " " and resid 21 and name HE1 )) 4.600 2.600 1.400 peak 809 weight 0.10000E+01 volume 0.39599E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 809} (( segid " " and resid 39 and name HN )) (( segid " " and resid 21 and name HE2 )) ASSI { 810} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG2 )) 3.400 1.500 1.500 peak 810 weight 0.10000E+01 volume 0.26213E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 810} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG1 )) ASSI { 811} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.500 1.500 1.500 peak 811 weight 0.10000E+01 volume 0.40983E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 812} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.500 0.800 0.800 peak 812 weight 0.10000E+01 volume 0.63762E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 816} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 816 weight 0.10000E+01 volume 0.39020E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 827} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 827 weight 0.10000E+01 volume 0.13223E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 828} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 3.500 1.500 1.500 peak 828 weight 0.10000E+01 volume 0.17451E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 829} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 829 weight 0.10000E+01 volume 0.28852E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 831} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB2 )) 5.000 3.100 1.000 peak 831 weight 0.10000E+01 volume 0.67657E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 831} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 836} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB )) 4.900 3.000 1.100 peak 836 weight 0.10000E+01 volume 0.40812E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 840} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 840 weight 0.10000E+01 volume 0.38035E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 842} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.800 1.800 1.800 peak 842 weight 0.10000E+01 volume 0.16325E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 842} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG1 )) ASSI { 844} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) 4.700 2.800 1.300 peak 844 weight 0.10000E+01 volume 0.38498E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 844} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 848} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 848 weight 0.10000E+01 volume 0.38380E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 852} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.300 1.400 1.400 peak 852 weight 0.10000E+01 volume 0.34472E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 852} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI { 854} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB2 )) 4.800 2.900 1.200 peak 854 weight 0.10000E+01 volume 0.32670E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 854} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 859} (( segid " " and resid 94 and name HN )) (( segid " " and resid 90 and name HA )) 3.900 1.900 1.900 peak 859 weight 0.10000E+01 volume 0.11599E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 860} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HG1 )) 5.600 4.000 0.400 peak 860 weight 0.10000E+01 volume 0.44042E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 861} (( segid " " and resid 94 and name HN )) (( segid " " and resid 98 and name HE2 )) 5.000 3.100 1.000 peak 861 weight 0.10000E+01 volume 0.38634E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 861} (( segid " " and resid 94 and name HN )) (( segid " " and resid 98 and name HE1 )) ASSI { 863} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 3.400 1.500 1.500 peak 863 weight 0.10000E+01 volume 0.14111E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 865} (( segid " " and resid 94 and name HN )) (( segid " " and resid 97 and name HB2 )) 6.000 4.500 0.000 peak 865 weight 0.10000E+01 volume 0.28266E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 867} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.100 2.100 1.900 peak 867 weight 0.10000E+01 volume 0.60957E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 871} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HG2%) 3.800 1.800 1.800 peak 871 weight 0.10000E+01 volume 0.33221E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 877} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 877 weight 0.10000E+01 volume 0.30480E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 880} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HB1 )) 5.000 3.100 1.000 peak 880 weight 0.10000E+01 volume 0.30193E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 882} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG )) 2.700 0.900 0.900 peak 882 weight 0.10000E+01 volume 0.57673E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 887} (( segid " " and resid 27 and name HN )) (( segid " " and resid 104 and name HE2 )) 4.400 2.400 1.600 peak 887 weight 0.10000E+01 volume 0.66365E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 889} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.400 1.400 1.400 peak 889 weight 0.10000E+01 volume 0.38237E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 896} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HG2%) 3.800 1.800 1.800 peak 896 weight 0.10000E+01 volume 0.16391E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 901} (( segid " " and resid 97 and name HN )) (( segid " " and resid 93 and name HA )) 4.000 2.000 2.000 peak 901 weight 0.10000E+01 volume 0.77613E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 903} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.700 1.700 1.700 peak 903 weight 0.10000E+01 volume 0.95214E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 904} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HA )) 5.200 3.400 0.800 peak 904 weight 0.10000E+01 volume 0.38841E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 907} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) 2.700 0.900 0.900 peak 907 weight 0.10000E+01 volume 0.26239E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 908} (( segid " " and resid 97 and name HN )) ( segid " " and resid 94 and name HB% ) 4.200 2.200 1.800 peak 908 weight 0.10000E+01 volume 0.10733E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 912} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB1 )) 4.400 2.400 1.600 peak 912 weight 0.10000E+01 volume 0.94577E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 913} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.000 1.100 1.100 peak 913 weight 0.10000E+01 volume 0.87375E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 918} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.700 1.700 1.700 peak 918 weight 0.10000E+01 volume 0.10141E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 919} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG11)) 4.600 2.600 1.400 peak 919 weight 0.10000E+01 volume 0.34252E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 928} (( segid " " and resid 41 and name HN )) ( segid " " and resid 17 and name HD1%) 2.400 2.400 3.600 peak 928 weight 0.10000E+01 volume 0.13091E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 929} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) 4.300 2.300 1.700 peak 929 weight 0.10000E+01 volume 0.11367E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 931} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.000 1.100 1.100 peak 931 weight 0.10000E+01 volume 0.27716E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 935} (( segid " " and resid 34 and name HN )) ( segid " " and resid 141 and name HG2%) 6.000 5.000 0.000 peak 935 weight 0.10000E+01 volume 0.58200E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 938} (( segid " " and resid 34 and name HN )) (( segid " " and resid 30 and name HG2 )) 5.800 4.300 0.200 peak 938 weight 0.10000E+01 volume 0.31396E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 938} (( segid " " and resid 34 and name HN )) (( segid " " and resid 30 and name HG1 )) ASSI { 945} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HA )) 3.800 1.800 1.800 peak 945 weight 0.10000E+01 volume 0.61707E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 946} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.400 0.700 0.700 peak 946 weight 0.10000E+01 volume 0.62318E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 947} (( segid " " and resid 95 and name HN )) (( segid " " and resid 92 and name HA )) 3.300 1.400 1.400 peak 947 weight 0.10000E+01 volume 0.37247E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 948} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HG2 )) 2.100 0.500 0.500 peak 948 weight 0.10000E+01 volume 0.54272E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 949} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HB% ) 2.400 2.400 3.600 peak 949 weight 0.10000E+01 volume 0.10533E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 951} (( segid " " and resid 95 and name HN )) ( segid " " and resid 92 and name HG2%) 5.100 3.300 0.900 peak 951 weight 0.10000E+01 volume 0.11624E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 954} (( segid " " and resid 95 and name HN )) ( segid " " and resid 93 and name HG1%) 4.600 2.600 1.400 peak 954 weight 0.10000E+01 volume 0.90914E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 956} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HB1 )) 5.100 3.200 0.900 peak 956 weight 0.10000E+01 volume 0.39888E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 957} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE1 )) 4.500 2.600 1.500 peak 957 weight 0.10000E+01 volume 0.13537E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 957} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE2 )) ASSI { 959} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HB )) 2.600 2.600 3.400 peak 959 weight 0.10000E+01 volume 0.70752E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 964} (( segid " " and resid 27 and name HN )) (( segid " " and resid 21 and name HD2 )) 5.400 3.600 0.600 peak 964 weight 0.10000E+01 volume 0.36937E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 964} (( segid " " and resid 27 and name HN )) (( segid " " and resid 21 and name HD1 )) ASSI { 967} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.900 2.900 3.100 peak 967 weight 0.10000E+01 volume 0.40369E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 968} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HB )) 2.700 2.700 3.300 peak 968 weight 0.10000E+01 volume 0.57839E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 984} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG )) 4.300 2.400 1.700 peak 984 weight 0.10000E+01 volume 0.62702E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1003} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.500 1.500 peak 1003 weight 0.10000E+01 volume 0.18927E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1005} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HG1 )) 5.800 4.100 0.200 peak 1005 weight 0.10000E+01 volume 0.30838E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1006} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HB2 )) 4.200 2.200 1.800 peak 1006 weight 0.10000E+01 volume 0.53918E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1007} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HG2%) 4.000 2.000 2.000 peak 1007 weight 0.10000E+01 volume 0.18331E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1009} (( segid " " and resid 80 and name HN )) ( segid " " and resid 93 and name HG1%) 3.900 1.900 1.900 peak 1009 weight 0.10000E+01 volume 0.16084E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1024} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 3.300 1.400 1.400 peak 1024 weight 0.10000E+01 volume 0.19532E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1026} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 1026 weight 0.10000E+01 volume 0.62436E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1027} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 2.400 0.700 0.700 peak 1027 weight 0.10000E+01 volume 0.81309E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1035} (( segid " " and resid 88 and name HN )) (( segid " " and resid 86 and name HG1 )) 5.800 4.100 0.200 peak 1035 weight 0.10000E+01 volume 0.48621E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1035} (( segid " " and resid 88 and name HN )) (( segid " " and resid 86 and name HG2 )) ASSI { 1036} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG2 )) 2.500 0.800 0.800 peak 1036 weight 0.10000E+01 volume 0.50875E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1036} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HG1 )) ASSI { 1037} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HG1 )) 5.600 3.900 0.400 peak 1037 weight 0.10000E+01 volume 0.39161E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1037} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 1038} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 1038 weight 0.10000E+01 volume 0.22040E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1039} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.500 0.800 0.800 peak 1039 weight 0.10000E+01 volume 0.35775E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1041} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.000 1.100 1.100 peak 1041 weight 0.10000E+01 volume 0.30213E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1047} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HG2 )) 4.700 2.800 1.300 peak 1047 weight 0.10000E+01 volume 0.58646E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1047} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HG1 )) ASSI { 1054} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.500 0.800 0.800 peak 1054 weight 0.10000E+01 volume 0.21306E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1059} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.100 1.200 1.200 peak 1059 weight 0.10000E+01 volume 0.41836E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1059} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) ASSI { 1060} (( segid " " and resid 34 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 1060 weight 0.10000E+01 volume 0.27900E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1064} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 1.000 1.000 peak 1064 weight 0.10000E+01 volume 0.14366E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1073} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB2 )) 3.600 1.600 1.600 peak 1073 weight 0.10000E+01 volume 0.26881E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1074} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB )) 2.100 0.600 0.600 peak 1074 weight 0.10000E+01 volume 0.41659E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1075} (( segid " " and resid 112 and name HN )) (( segid " " and resid 71 and name HB )) 4.500 2.500 1.500 peak 1075 weight 0.10000E+01 volume 0.39957E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1079} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD2%) 4.600 2.600 1.400 peak 1079 weight 0.10000E+01 volume 0.11681E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1087} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 3.400 1.400 1.400 peak 1087 weight 0.10000E+01 volume 0.72666E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1090} (( segid " " and resid 137 and name HN )) ( segid " " and resid 39 and name HG1%) 2.800 2.800 3.200 peak 1090 weight 0.10000E+01 volume 0.50553E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1093} (( segid " " and resid 137 and name HN )) (( segid " " and resid 37 and name HB1 )) 5.200 3.400 0.800 peak 1093 weight 0.10000E+01 volume 0.34825E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1094} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HG2 )) 2.900 2.900 3.100 peak 1094 weight 0.10000E+01 volume 0.38096E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1094} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HG1 )) ASSI { 1095} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HB1 )) 4.500 2.600 1.500 peak 1095 weight 0.10000E+01 volume 0.47830E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1096} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HB2 )) 3.600 1.700 1.700 peak 1096 weight 0.10000E+01 volume 0.62794E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1100} (( segid " " and resid 37 and name HN )) (( segid " " and resid 24 and name HB1 )) 5.300 3.400 0.700 peak 1100 weight 0.10000E+01 volume 0.51195E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1101} (( segid " " and resid 37 and name HN )) (( segid " " and resid 138 and name HB )) 5.000 3.100 1.000 peak 1101 weight 0.10000E+01 volume 0.30523E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1102} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) 2.500 2.500 3.500 peak 1102 weight 0.10000E+01 volume 0.81800E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1103} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) 2.700 2.700 3.300 peak 1103 weight 0.10000E+01 volume 0.61302E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1107} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD2 )) 2.900 2.900 3.100 peak 1107 weight 0.10000E+01 volume 0.40628E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1107} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HD1 )) ASSI { 1108} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.700 0.900 0.900 peak 1108 weight 0.10000E+01 volume 0.24417E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1110} (( segid " " and resid 37 and name HN )) (( segid " " and resid 136 and name HB )) 6.000 4.500 0.000 peak 1110 weight 0.10000E+01 volume 0.27360E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1114} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD2 )) 4.100 2.100 1.900 peak 1114 weight 0.10000E+01 volume 0.89914E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1114} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD1 )) ASSI { 1115} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG2 )) 4.000 2.000 2.000 peak 1115 weight 0.10000E+01 volume 0.17214E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1121} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HE1 )) 4.000 2.000 2.000 peak 1121 weight 0.10000E+01 volume 0.45414E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1121} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HE2 )) ASSI { 1125} (( segid " " and resid 127 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.200 2.300 1.800 peak 1125 weight 0.10000E+01 volume 0.43842E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1125} (( segid " " and resid 127 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 1128} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HD1 )) 4.700 2.800 1.300 peak 1128 weight 0.10000E+01 volume 0.30515E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1129} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HG2 )) 4.100 2.100 1.900 peak 1129 weight 0.10000E+01 volume 0.33088E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1131} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 3.000 1.100 1.100 peak 1131 weight 0.10000E+01 volume 0.17285E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1132} (( segid " " and resid 127 and name HN )) (( segid " " and resid 107 and name HA )) 5.000 3.100 1.000 peak 1132 weight 0.10000E+01 volume 0.70089E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1137} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.600 1.600 1.600 peak 1137 weight 0.10000E+01 volume 0.27928E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1138} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HB1 )) 2.800 1.000 1.000 peak 1138 weight 0.10000E+01 volume 0.19209E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1138} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI { 1149} (( segid " " and resid 89 and name HN )) (( segid " " and resid 87 and name HA )) 4.200 2.200 1.800 peak 1149 weight 0.10000E+01 volume 0.66792E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1152} (( segid " " and resid 89 and name HN )) (( segid " " and resid 85 and name HB2 )) 5.200 3.400 0.800 peak 1152 weight 0.10000E+01 volume 0.60860E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1154} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG1 )) 2.600 0.800 0.800 peak 1154 weight 0.10000E+01 volume 0.43939E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1154} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 1156} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HA )) 5.000 3.200 1.000 peak 1156 weight 0.10000E+01 volume 0.43264E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1158} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG1 )) 3.000 1.100 1.100 peak 1158 weight 0.10000E+01 volume 0.47766E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1158} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG2 )) ASSI { 1162} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 4.700 2.800 1.300 peak 1162 weight 0.10000E+01 volume 0.30828E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1163} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.600 0.900 0.900 peak 1163 weight 0.10000E+01 volume 0.38434E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1164} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.600 0.900 0.900 peak 1164 weight 0.10000E+01 volume 0.48725E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1166} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.200 0.600 0.600 peak 1166 weight 0.10000E+01 volume 0.29947E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1167} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG1 )) 2.100 0.600 0.600 peak 1167 weight 0.10000E+01 volume 0.56575E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1167} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 1168} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 3.000 1.100 1.100 peak 1168 weight 0.10000E+01 volume 0.25439E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1169} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HA )) 3.300 1.300 1.300 peak 1169 weight 0.10000E+01 volume 0.18990E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1170} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HA )) 3.700 1.700 1.700 peak 1170 weight 0.10000E+01 volume 0.81393E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1173} (( segid " " and resid 90 and name HN )) ( segid " " and resid 93 and name HG2%) 4.700 2.700 1.300 peak 1173 weight 0.10000E+01 volume 0.85573E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1188} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HB1 )) 2.800 2.800 3.200 peak 1188 weight 0.10000E+01 volume 0.44326E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1188} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HB2 )) ASSI { 1189} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 1189 weight 0.10000E+01 volume 0.21672E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1190} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 1190 weight 0.10000E+01 volume 0.28957E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1194} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG )) 2.900 1.000 1.000 peak 1194 weight 0.10000E+01 volume 0.16387E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1198} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HE2 )) 5.000 3.200 1.000 peak 1198 weight 0.10000E+01 volume 0.48805E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1198} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HE1 )) ASSI { 1199} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG2 )) 3.000 1.100 1.100 peak 1199 weight 0.10000E+01 volume 0.64466E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1204} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.300 1.400 1.400 peak 1204 weight 0.10000E+01 volume 0.27792E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1204} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 1208} (( segid " " and resid 133 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 1208 weight 0.10000E+01 volume 0.66252E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1209} (( segid " " and resid 133 and name HN )) (( segid " " and resid 42 and name HB1 )) 4.000 2.000 2.000 peak 1209 weight 0.10000E+01 volume 0.27741E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1215} (( segid " " and resid 133 and name HN )) ( segid " " and resid 41 and name HD1%) 4.000 2.000 2.000 peak 1215 weight 0.10000E+01 volume 0.10306E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1217} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 3.100 1.200 1.200 peak 1217 weight 0.10000E+01 volume 0.12141E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1222} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 2.900 1.100 1.100 peak 1222 weight 0.10000E+01 volume 0.27820E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1223} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.400 1.400 1.400 peak 1223 weight 0.10000E+01 volume 0.14772E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1224} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HG1 )) 4.500 2.500 1.500 peak 1224 weight 0.10000E+01 volume 0.49660E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1224} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HG2 )) ASSI { 1225} (( segid " " and resid 101 and name HN )) ( segid " " and resid 102 and name HG2%) 4.200 2.200 1.800 peak 1225 weight 0.10000E+01 volume 0.16742E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1228} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HB )) 4.600 2.600 1.400 peak 1228 weight 0.10000E+01 volume 0.82699E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1230} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB )) 3.700 1.700 1.700 peak 1230 weight 0.10000E+01 volume 0.65487E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1232} (( segid " " and resid 128 and name HN )) ( segid " " and resid 130 and name HB% ) 4.700 2.700 1.300 peak 1232 weight 0.10000E+01 volume 0.44116E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1240} (( segid " " and resid 128 and name HN )) (( segid " " and resid 132 and name HB2 )) 5.600 3.900 0.400 peak 1240 weight 0.10000E+01 volume 0.31962E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1242} (( segid " " and resid 128 and name HN )) (( segid " " and resid 108 and name HB1 )) 4.500 2.600 1.500 peak 1242 weight 0.10000E+01 volume 0.36256E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1250} (( segid " " and resid 140 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.100 2.100 1.900 peak 1250 weight 0.10000E+01 volume 0.93486E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1256} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.600 2.700 1.400 peak 1256 weight 0.10000E+01 volume 0.42888E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1258} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.800 1.000 1.000 peak 1258 weight 0.10000E+01 volume 0.41861E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1261} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 1261 weight 0.10000E+01 volume 0.43003E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1262} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 5.000 3.100 1.000 peak 1262 weight 0.10000E+01 volume 0.49355E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1266} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA )) 5.800 4.300 0.200 peak 1266 weight 0.10000E+01 volume 0.40085E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1272} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG1 )) 3.100 1.200 1.200 peak 1272 weight 0.10000E+01 volume 0.34608E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1273} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.000 1.200 1.200 peak 1273 weight 0.10000E+01 volume 0.36686E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1274} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.700 0.900 0.900 peak 1274 weight 0.10000E+01 volume 0.37262E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1279} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) 2.500 0.800 0.800 peak 1279 weight 0.10000E+01 volume 0.70964E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1280} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG )) 4.100 2.100 1.900 peak 1280 weight 0.10000E+01 volume 0.10281E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1284} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG1 )) 4.000 2.000 2.000 peak 1284 weight 0.10000E+01 volume 0.18581E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1285} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HB )) 5.200 3.400 0.800 peak 1285 weight 0.10000E+01 volume 0.34119E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1293} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 1293 weight 0.10000E+01 volume 0.44810E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1295} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 2.700 3.300 peak 1295 weight 0.10000E+01 volume 0.52275E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1296} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HA )) 3.100 1.200 1.200 peak 1296 weight 0.10000E+01 volume 0.18788E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1297} (( segid " " and resid 60 and name HN )) ( segid " " and resid 64 and name HB% ) 3.900 1.900 1.900 peak 1297 weight 0.10000E+01 volume 0.69710E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1299} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA2 )) 3.600 1.600 1.600 peak 1299 weight 0.10000E+01 volume 0.16851E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1300} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA1 )) 3.300 1.300 1.300 peak 1300 weight 0.10000E+01 volume 0.16321E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1301} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.000 1.100 1.100 peak 1301 weight 0.10000E+01 volume 0.27117E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1302} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 3.300 1.400 1.400 peak 1302 weight 0.10000E+01 volume 0.34849E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1303} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.700 2.800 1.300 peak 1303 weight 0.10000E+01 volume 0.51031E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1306} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 3.400 1.500 1.500 peak 1306 weight 0.10000E+01 volume 0.12422E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1310} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HD2 )) 3.300 1.300 1.300 peak 1310 weight 0.10000E+01 volume 0.11499E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1313} (( segid " " and resid 130 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.900 1.900 1.900 peak 1313 weight 0.10000E+01 volume 0.16843E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1315} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 1315 weight 0.10000E+01 volume 0.89699E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1316} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 1316 weight 0.10000E+01 volume 0.15974E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1318} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HD2 )) 4.900 3.000 1.100 peak 1318 weight 0.10000E+01 volume 0.58487E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1318} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HD1 )) ASSI { 1320} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) 4.300 2.400 1.700 peak 1320 weight 0.10000E+01 volume 0.10994E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1320} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG1 )) ASSI { 1321} (( segid " " and resid 22 and name HN )) ( segid " " and resid 39 and name HG1%) 4.900 3.000 1.100 peak 1321 weight 0.10000E+01 volume 0.59843E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1324} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HG1 )) 4.500 2.500 1.500 peak 1324 weight 0.10000E+01 volume 0.66646E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1324} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HG2 )) ASSI { 1325} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 3.100 1.200 1.200 peak 1325 weight 0.10000E+01 volume 0.15663E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1326} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HA )) 3.700 1.700 1.700 peak 1326 weight 0.10000E+01 volume 0.71181E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1328} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.100 1.200 1.200 peak 1328 weight 0.10000E+01 volume 0.75855E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1331} (( segid " " and resid 107 and name HN )) ( segid " " and resid 16 and name HD1%) 4.300 2.300 1.700 peak 1331 weight 0.10000E+01 volume 0.42161E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1333} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.900 1.000 1.000 peak 1333 weight 0.10000E+01 volume 0.24026E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1338} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 1338 weight 0.10000E+01 volume 0.41513E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1343} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HB )) 3.100 1.200 1.200 peak 1343 weight 0.10000E+01 volume 0.28573E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1345} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 1345 weight 0.10000E+01 volume 0.11875E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1360} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 3.200 1.300 1.300 peak 1360 weight 0.10000E+01 volume 0.15477E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1364} (( segid " " and resid 23 and name HN )) (( segid " " and resid 104 and name HE2 )) 5.400 3.700 0.600 peak 1364 weight 0.10000E+01 volume 0.37313E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1365} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG1 )) 2.500 2.500 3.500 peak 1365 weight 0.10000E+01 volume 0.84785E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1374} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.800 2.900 1.200 peak 1374 weight 0.10000E+01 volume 0.65802E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1376} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.500 1.500 1.500 peak 1376 weight 0.10000E+01 volume 0.11082E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1381} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.800 1.800 1.800 peak 1381 weight 0.10000E+01 volume 0.61717E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1383} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.300 0.600 0.600 peak 1383 weight 0.10000E+01 volume 0.11632E-01 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1384} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB1 )) 5.100 3.300 0.900 peak 1384 weight 0.10000E+01 volume 0.65722E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1384} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 1385} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HG2 )) 5.400 3.700 0.600 peak 1385 weight 0.10000E+01 volume 0.30992E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1385} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HG1 )) ASSI { 1387} (( segid " " and resid 76 and name HN )) ( segid " " and resid 100 and name HD2%) 5.800 4.200 0.200 peak 1387 weight 0.10000E+01 volume 0.29569E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1395} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.800 1.000 1.000 peak 1395 weight 0.10000E+01 volume 0.21485E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1399} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HA )) 4.900 3.000 1.100 peak 1399 weight 0.10000E+01 volume 0.33523E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1403} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB )) 3.700 1.700 1.700 peak 1403 weight 0.10000E+01 volume 0.76863E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1411} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HG2%) 3.000 1.100 1.100 peak 1411 weight 0.10000E+01 volume 0.36463E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1417} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB )) 3.200 1.300 1.300 peak 1417 weight 0.10000E+01 volume 0.11636E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1418} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB )) 3.300 1.400 1.400 peak 1418 weight 0.10000E+01 volume 0.53076E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1425} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.800 1.800 1.800 peak 1425 weight 0.10000E+01 volume 0.23631E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1425} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 1430} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.500 0.800 0.800 peak 1430 weight 0.10000E+01 volume 0.75532E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1431} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HA )) 5.100 3.300 0.900 peak 1431 weight 0.10000E+01 volume 0.56677E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1432} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA2 )) 3.600 1.600 1.600 peak 1432 weight 0.10000E+01 volume 0.82514E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1433} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA1 )) 3.900 1.900 1.900 peak 1433 weight 0.10000E+01 volume 0.82023E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1434} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 1434 weight 0.10000E+01 volume 0.76037E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1434} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 1435} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG1 )) 3.600 1.600 1.600 peak 1435 weight 0.10000E+01 volume 0.27902E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1435} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG2 )) ASSI { 1436} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.900 1.900 1.900 peak 1436 weight 0.10000E+01 volume 0.75223E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1437} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) 4.500 2.500 1.500 peak 1437 weight 0.10000E+01 volume 0.43504E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1438} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HE2 )) 5.200 3.400 0.800 peak 1438 weight 0.10000E+01 volume 0.47653E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1440} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB )) 4.600 2.600 1.400 peak 1440 weight 0.10000E+01 volume 0.30528E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1445} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HB1 )) 5.400 3.600 0.600 peak 1445 weight 0.10000E+01 volume 0.30925E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1445} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HB2 )) ASSI { 1448} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HA )) 3.700 1.700 1.700 peak 1448 weight 0.10000E+01 volume 0.97891E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1454} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 2.700 0.900 0.900 peak 1454 weight 0.10000E+01 volume 0.26456E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1455} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.900 1.000 1.000 peak 1455 weight 0.10000E+01 volume 0.23888E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1455} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) ASSI { 1457} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 3.000 1.100 1.100 peak 1457 weight 0.10000E+01 volume 0.22754E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1459} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.900 1.000 1.000 peak 1459 weight 0.10000E+01 volume 0.24595E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1460} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HA )) 4.200 2.200 1.800 peak 1460 weight 0.10000E+01 volume 0.37244E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1473} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 19 and name HB1 )) 2.800 2.800 3.200 peak 1473 weight 0.10000E+01 volume 0.41465E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1474} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 19 and name HG2 )) 4.100 2.100 1.900 peak 1474 weight 0.10000E+01 volume 0.32655E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1479} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.900 1.000 1.000 peak 1479 weight 0.10000E+01 volume 0.15165E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1481} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD1 )) 5.000 3.200 1.000 peak 1481 weight 0.10000E+01 volume 0.75991E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1481} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD2 )) ASSI { 1482} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.400 1.400 1.400 peak 1482 weight 0.10000E+01 volume 0.14661E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1484} (( segid " " and resid 12 and name HN )) ( segid " " and resid 16 and name HD1%) 4.800 2.900 1.200 peak 1484 weight 0.10000E+01 volume 0.32770E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1487} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HG1 )) 3.900 1.900 1.900 peak 1487 weight 0.10000E+01 volume 0.17171E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1487} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HG2 )) ASSI { 1491} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HE1 )) 5.500 3.800 0.500 peak 1491 weight 0.10000E+01 volume 0.40088E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1491} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HE2 )) ASSI { 1493} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 132 and name HB2 )) 4.800 2.800 1.200 peak 1493 weight 0.10000E+01 volume 0.27475E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1498} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 3.200 1.300 1.300 peak 1498 weight 0.10000E+01 volume 0.19745E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1501} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.700 1.700 1.700 peak 1501 weight 0.10000E+01 volume 0.55756E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1502} (( segid " " and resid 45 and name HN )) ( segid " " and resid 46 and name HB% ) 4.400 2.400 1.600 peak 1502 weight 0.10000E+01 volume 0.50768E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1506} (( segid " " and resid 45 and name HN )) ( segid " " and resid 41 and name HD1%) 4.900 3.000 1.100 peak 1506 weight 0.10000E+01 volume 0.39368E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1515} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA1 )) 3.100 1.200 1.200 peak 1515 weight 0.10000E+01 volume 0.31680E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1515} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA2 )) ASSI { 1516} (( segid " " and resid 45 and name HN )) (( segid " " and resid 132 and name HB1 )) 5.100 3.300 0.900 peak 1516 weight 0.10000E+01 volume 0.51280E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1517} (( segid " " and resid 132 and name HN )) (( segid " " and resid 128 and name HB )) 2.600 2.600 3.400 peak 1517 weight 0.10000E+01 volume 0.73823E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1518} (( segid " " and resid 132 and name HN )) ( segid " " and resid 130 and name HB% ) 3.200 1.300 1.300 peak 1518 weight 0.10000E+01 volume 0.33589E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1524} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 2.700 2.700 3.300 peak 1524 weight 0.10000E+01 volume 0.53066E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1531} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HG )) 5.000 3.200 1.000 peak 1531 weight 0.10000E+01 volume 0.33822E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1532} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HA )) 5.500 3.800 0.500 peak 1532 weight 0.10000E+01 volume 0.34311E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1538} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.500 1.500 1.500 peak 1538 weight 0.10000E+01 volume 0.19324E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1539} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.300 1.300 1.300 peak 1539 weight 0.10000E+01 volume 0.13515E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1545} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.900 1.000 1.000 peak 1545 weight 0.10000E+01 volume 0.24165E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1546} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) 5.500 3.800 0.500 peak 1546 weight 0.10000E+01 volume 0.29566E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1549} (( segid " " and resid 14 and name HN )) ( segid " " and resid 41 and name HD2%) 4.000 2.000 2.000 peak 1549 weight 0.10000E+01 volume 0.53686E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1554} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) 3.200 1.300 1.300 peak 1554 weight 0.10000E+01 volume 0.94556E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1556} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HG1 )) 5.700 4.000 0.300 peak 1556 weight 0.10000E+01 volume 0.34339E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1556} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HG2 )) ASSI { 1557} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HD2 )) 5.000 3.100 1.000 peak 1557 weight 0.10000E+01 volume 0.62467E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1557} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HD1 )) ASSI { 1558} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HG1 )) 4.600 2.600 1.400 peak 1558 weight 0.10000E+01 volume 0.59342E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1562} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 109 and name HB2 )) 3.200 1.300 1.300 peak 1562 weight 0.10000E+01 volume 0.30185E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1563} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HE1 )) 4.300 2.300 1.700 peak 1563 weight 0.10000E+01 volume 0.97326E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1563} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HE2 )) ASSI { 1564} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 109 and name HB1 )) 2.700 0.900 0.900 peak 1564 weight 0.10000E+01 volume 0.46542E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1565} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HB2 )) 5.200 3.400 0.800 peak 1565 weight 0.10000E+01 volume 0.68748E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1565} (( segid " " and resid 109 and name HD21)) (( segid " " and resid 108 and name HB1 )) ASSI { 1568} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HD2 )) 5.000 3.100 1.000 peak 1568 weight 0.10000E+01 volume 0.70219E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1568} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HD1 )) ASSI { 1569} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HG1 )) 5.100 3.300 0.900 peak 1569 weight 0.10000E+01 volume 0.59769E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1577} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HE1 )) 4.200 2.200 1.800 peak 1577 weight 0.10000E+01 volume 0.13319E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1577} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HE2 )) ASSI { 1579} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HB2 )) 5.800 4.300 0.200 peak 1579 weight 0.10000E+01 volume 0.50141E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1579} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 108 and name HB1 )) ASSI { 1580} (( segid " " and resid 126 and name HN )) (( segid " " and resid 110 and name HA )) 3.800 1.800 1.800 peak 1580 weight 0.10000E+01 volume 0.54469E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1583} (( segid " " and resid 126 and name HN )) ( segid " " and resid 134 and name HB% ) 3.800 1.800 1.800 peak 1583 weight 0.10000E+01 volume 0.12318E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1584} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG12)) 4.300 2.300 1.700 peak 1584 weight 0.10000E+01 volume 0.57033E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1584} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG11)) ASSI { 1587} (( segid " " and resid 126 and name HN )) (( segid " " and resid 133 and name HA )) 3.800 1.800 1.800 peak 1587 weight 0.10000E+01 volume 0.76771E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1591} (( segid " " and resid 126 and name HN )) (( segid " " and resid 135 and name HA2 )) 4.700 2.700 1.300 peak 1591 weight 0.10000E+01 volume 0.32783E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1598} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 1598 weight 0.10000E+01 volume 0.26786E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1599} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.000 3.100 1.000 peak 1599 weight 0.10000E+01 volume 0.49637E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1600} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.400 0.700 0.700 peak 1600 weight 0.10000E+01 volume 0.54597E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1600} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 1601} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.500 1.600 1.600 peak 1601 weight 0.10000E+01 volume 0.11589E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1603} (( segid " " and resid 33 and name HN )) ( segid " " and resid 141 and name HG2%) 3.800 1.800 1.800 peak 1603 weight 0.10000E+01 volume 0.22073E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1608} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) 4.400 2.400 1.600 peak 1608 weight 0.10000E+01 volume 0.11465E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1608} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG1 )) ASSI { 1609} (( segid " " and resid 33 and name HN )) (( segid " " and resid 141 and name HB )) 3.600 1.700 1.700 peak 1609 weight 0.10000E+01 volume 0.17469E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1610} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.500 1.600 1.600 peak 1610 weight 0.10000E+01 volume 0.14006E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1613} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) 4.200 2.200 1.800 peak 1613 weight 0.10000E+01 volume 0.92634E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1617} (( segid " " and resid 75 and name HN )) ( segid " " and resid 100 and name HD2%) 6.000 4.700 0.000 peak 1617 weight 0.10000E+01 volume 0.76758E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1628} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 3.300 1.300 1.300 peak 1628 weight 0.10000E+01 volume 0.30137E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1630} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.800 1.000 1.000 peak 1630 weight 0.10000E+01 volume 0.37925E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1635} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HA )) 4.500 2.600 1.500 peak 1635 weight 0.10000E+01 volume 0.10160E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1636} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HB1 )) 5.200 3.400 0.800 peak 1636 weight 0.10000E+01 volume 0.41569E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1637} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB1 )) 2.900 1.100 1.100 peak 1637 weight 0.10000E+01 volume 0.31800E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1637} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 1639} (( segid " " and resid 62 and name HE21)) (( segid " " and resid 62 and name HG1 )) 2.300 0.700 0.700 peak 1639 weight 0.10000E+01 volume 0.48321E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1639} (( segid " " and resid 62 and name HE21)) (( segid " " and resid 62 and name HG2 )) ASSI { 1640} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 53 and name HA )) 2.700 2.700 3.300 peak 1640 weight 0.10000E+01 volume 0.51689E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1646} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 62 and name HG1 )) 3.600 1.600 1.600 peak 1646 weight 0.10000E+01 volume 0.25414E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1646} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 62 and name HG2 )) ASSI { 1647} (( segid " " and resid 62 and name HE22)) (( segid " " and resid 55 and name HB1 )) 6.000 5.000 0.000 peak 1647 weight 0.10000E+01 volume 0.27859E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1671} (( segid " " and resid 19 and name HE22)) (( segid " " and resid 19 and name HA )) 4.700 2.700 1.300 peak 1671 weight 0.10000E+01 volume 0.41088E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1676} (( segid " " and resid 19 and name HE22)) (( segid " " and resid 11 and name HE2 )) 4.300 2.300 1.700 peak 1676 weight 0.10000E+01 volume 0.39548E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1677} (( segid " " and resid 19 and name HE22)) (( segid " " and resid 19 and name HG1 )) 2.800 1.000 1.000 peak 1677 weight 0.10000E+01 volume 0.11096E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1683} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 19 and name HB2 )) 4.200 2.200 1.800 peak 1683 weight 0.10000E+01 volume 0.55165E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1690} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.300 0.600 0.600 peak 1690 weight 0.10000E+01 volume 0.59649E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1691} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 1691 weight 0.10000E+01 volume 0.21769E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1692} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.900 1.000 1.000 peak 1692 weight 0.10000E+01 volume 0.88680E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1693} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HA )) 3.600 1.600 1.600 peak 1693 weight 0.10000E+01 volume 0.12961E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1701} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HG2 )) 5.300 3.600 0.700 peak 1701 weight 0.10000E+01 volume 0.31693E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1701} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HG1 )) ASSI { 1702} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HB )) 4.800 2.900 1.200 peak 1702 weight 0.10000E+01 volume 0.43315E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1703} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 1703 weight 0.10000E+01 volume 0.13914E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1704} (( segid " " and resid 22 and name HE21)) (( segid " " and resid 22 and name HA )) 5.700 4.000 0.300 peak 1704 weight 0.10000E+01 volume 0.57637E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1707} (( segid " " and resid 22 and name HE21)) (( segid " " and resid 18 and name HG1 )) 3.000 1.100 1.100 peak 1707 weight 0.10000E+01 volume 0.24033E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1707} (( segid " " and resid 22 and name HE21)) (( segid " " and resid 18 and name HG2 )) ASSI { 1715} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HA )) 5.200 3.300 0.800 peak 1715 weight 0.10000E+01 volume 0.42701E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1719} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HA )) 2.700 2.700 3.300 peak 1719 weight 0.10000E+01 volume 0.57745E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1735} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 18 and name HG2 )) 4.200 2.200 1.800 peak 1735 weight 0.10000E+01 volume 0.18899E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1735} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 18 and name HG1 )) ASSI { 1765} (( segid " " and resid 111 and name HE21)) (( segid " " and resid 109 and name HB2 )) 2.700 2.700 3.300 peak 1765 weight 0.10000E+01 volume 0.54850E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1770} (( segid " " and resid 111 and name HE22)) (( segid " " and resid 109 and name HB2 )) 3.000 3.000 3.000 peak 1770 weight 0.10000E+01 volume 0.33436E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1781} (( segid " " and resid 136 and name HN )) (( segid " " and resid 21 and name HG2 )) 4.800 2.900 1.200 peak 1781 weight 0.10000E+01 volume 0.95920E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1784} (( segid " " and resid 136 and name HN )) ( segid " " and resid 39 and name HG1%) 3.900 1.900 1.900 peak 1784 weight 0.10000E+01 volume 0.11173E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1790} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HB2 )) 5.000 3.200 1.000 peak 1790 weight 0.10000E+01 volume 0.34308E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1801} (( segid " " and resid 97 and name HE21)) ( segid " " and resid 93 and name HG1%) 2.100 2.100 3.900 peak 1801 weight 0.10000E+01 volume 0.27283E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1814} (( segid " " and resid 136 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.700 2.800 1.300 peak 1814 weight 0.10000E+01 volume 0.52012E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1816} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) 5.200 3.400 0.800 peak 1816 weight 0.10000E+01 volume 0.38496E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1819} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HA )) 4.000 2.000 2.000 peak 1819 weight 0.10000E+01 volume 0.12392E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1820} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HA )) 3.500 1.500 1.500 peak 1820 weight 0.10000E+01 volume 0.72973E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1825} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB1 )) 5.800 4.200 0.200 peak 1825 weight 0.10000E+01 volume 0.33482E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1832} (( segid " " and resid 57 and name HE22)) (( segid " " and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 1832 weight 0.10000E+01 volume 0.36753E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1833} (( segid " " and resid 57 and name HE22)) ( segid " " and resid 53 and name HD1%) 6.000 5.600 0.000 peak 1833 weight 0.10000E+01 volume 0.28814E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1834} (( segid " " and resid 57 and name HE22)) ( segid " " and resid 53 and name HG2%) 2.700 0.900 0.900 peak 1834 weight 0.10000E+01 volume 0.52199E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1836} (( segid " " and resid 57 and name HE22)) (( segid " " and resid 56 and name HG1 )) 3.000 3.000 3.000 peak 1836 weight 0.10000E+01 volume 0.31063E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1837} (( segid " " and resid 57 and name HE22)) (( segid " " and resid 57 and name HG2 )) 3.000 1.100 1.100 peak 1837 weight 0.10000E+01 volume 0.79748E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1838} (( segid " " and resid 57 and name HE22)) (( segid " " and resid 57 and name HG1 )) 2.800 1.000 1.000 peak 1838 weight 0.10000E+01 volume 0.67946E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1846} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) 4.600 2.600 1.400 peak 1846 weight 0.10000E+01 volume 0.59493E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1847} (( segid " " and resid 24 and name HN )) (( segid " " and resid 20 and name HA )) 3.900 1.900 1.900 peak 1847 weight 0.10000E+01 volume 0.56465E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1849} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.200 2.200 1.800 peak 1849 weight 0.10000E+01 volume 0.10309E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1857} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.400 2.400 1.600 peak 1857 weight 0.10000E+01 volume 0.55779E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1859} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.600 1.600 1.600 peak 1859 weight 0.10000E+01 volume 0.15137E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1864} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HG2 )) 3.700 1.700 1.700 peak 1864 weight 0.10000E+01 volume 0.76505E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1864} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HG1 )) ASSI { 1875} (( segid " " and resid 61 and name HN )) ( segid " " and resid 64 and name HB% ) 3.300 3.300 2.700 peak 1875 weight 0.10000E+01 volume 0.16622E-02 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1885} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HA )) 3.800 1.800 1.800 peak 1885 weight 0.10000E+01 volume 0.64468E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1892} (( segid " " and resid 131 and name HN )) (( segid " " and resid 127 and name HB2 )) 4.800 2.900 1.200 peak 1892 weight 0.10000E+01 volume 0.28235E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1898} (( segid " " and resid 58 and name HN )) (( segid " " and resid 54 and name HA )) 5.600 3.900 0.400 peak 1898 weight 0.10000E+01 volume 0.50704E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1902} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HA2 )) 4.700 2.800 1.300 peak 1902 weight 0.10000E+01 volume 0.46394E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 1904} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 5.200 3.400 0.800 peak 1904 weight 0.10000E+01 volume 0.39008E-03 ppm1 0.632 ppm2 0.627 CV 1 ASSI { 331} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 102 and name HB )) 3.600 1.600 1.600 peak 331 weight 0.10000E+01 volume 0.97566E-03 ppm1 2.118 ppm2 1.693 CV 1 OR { 331} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 102 and name HB )) OR { 331} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 102 and name HB )) ASSI { 339} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 49 and name HB )) 3.400 1.500 1.500 peak 339 weight 0.10000E+01 volume 0.25750E-02 ppm1 2.112 ppm2 1.903 CV 1 OR { 339} (( segid " " and resid 103 and name HB )) (( segid " " and resid 102 and name HB )) ASSI { 361} (( segid " " and resid 96 and name HA )) (( segid " " and resid 98 and name HB1 )) 3.400 1.500 1.500 peak 361 weight 0.10000E+01 volume 0.32658E-02 ppm1 1.944 ppm2 4.106 CV 1 OR { 361} (( segid " " and resid 96 and name HA )) (( segid " " and resid 98 and name HB2 )) OR { 361} (( segid " " and resid 76 and name HA )) (( segid " " and resid 98 and name HB1 )) ASSI { 366} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB1 )) 4.100 2.100 1.900 peak 366 weight 0.10000E+01 volume 0.75261E-03 ppm1 1.935 ppm2 1.592 CV 1 OR { 366} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB2 )) OR { 366} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 98 and name HB1 )) OR { 366} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 98 and name HB1 )) OR { 366} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 98 and name HB2 )) ASSI { 392} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 54 and name HB )) 4.300 2.300 1.700 peak 392 weight 0.10000E+01 volume 0.63229E-03 ppm1 1.742 ppm2 0.617 CV 1 OR { 392} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 54 and name HB )) ASSI { 684} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HA )) 3.300 1.400 1.400 peak 684 weight 0.10000E+01 volume 0.77554E-03 ppm1 4.644 ppm2 1.844 CV 1 OR { 684} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HA )) OR { 684} (( segid " " and resid 112 and name HB )) (( segid " " and resid 111 and name HA )) ASSI { 705} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HA )) 4.000 2.000 2.000 peak 705 weight 0.10000E+01 volume 0.65758E-03 ppm1 4.392 ppm2 2.925 CV 1 OR { 705} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HA )) OR { 705} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HA )) ASSI { 726} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 91 and name HA )) 2.100 0.600 0.600 peak 726 weight 0.10000E+01 volume 0.20899E-01 ppm1 4.274 ppm2 1.548 CV 1 OR { 726} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 91 and name HA )) ASSI { 744} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 94 and name HA )) 3.500 1.500 1.500 peak 744 weight 0.10000E+01 volume 0.43382E-02 ppm1 4.203 ppm2 2.385 CV 1 OR { 744} (( segid " " and resid 93 and name HB )) (( segid " " and resid 94 and name HA )) ASSI { 745} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 745 weight 0.10000E+01 volume 0.13668E-02 ppm1 4.202 ppm2 2.064 CV 1 OR { 745} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 94 and name HA )) ASSI { 1075} (( segid " " and resid 112 and name HA )) (( segid " " and resid 124 and name HB )) 4.300 2.300 1.700 peak 1075 weight 0.10000E+01 volume 0.71773E-03 ppm1 2.428 ppm2 4.876 CV 1 OR { 1075} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HB )) OR { 1075} (( segid " " and resid 135 and name HA2 )) (( segid " " and resid 124 and name HB )) ASSI { 1184} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1184 weight 0.10000E+01 volume 0.87705E-03 ppm1 4.655 ppm2 1.883 CV 1 OR { 1184} (( segid " " and resid 112 and name HB )) (( segid " " and resid 111 and name HA )) ASSI { 1356} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.900 1.900 1.900 peak 1356 weight 0.10000E+01 volume 0.10076E-02 ppm1 4.659 ppm2 2.686 CV 1 OR { 1356} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 86 and name HA )) OR { 1356} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 86 and name HA )) ASSI { 1357} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 1357 weight 0.10000E+01 volume 0.37564E-02 ppm1 4.657 ppm2 1.961 CV 1 OR { 1357} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 86 and name HA )) OR { 1357} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 86 and name HA )) ASSI { 1456} (( segid " " and resid 71 and name HB )) (( segid " " and resid 124 and name HB )) 4.400 2.400 1.600 peak 1456 weight 0.10000E+01 volume 0.88700E-03 ppm1 2.433 ppm2 1.695 CV 1 OR { 1456} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 86 and name HB1 )) ASSI { 1505} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 1505 weight 0.10000E+01 volume 0.21935E-02 ppm1 4.886 ppm2 2.951 CV 1 OR { 1505} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 38 and name HA )) OR { 1505} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 38 and name HA )) ASSI { 1506} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 1506 weight 0.10000E+01 volume 0.55075E-02 ppm1 4.887 ppm2 2.005 CV 1 OR { 1506} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 38 and name HA )) OR { 1506} (( segid " " and resid 39 and name HB )) (( segid " " and resid 38 and name HA )) ASSI { 1520} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HA )) 3.100 1.200 1.200 peak 1520 weight 0.10000E+01 volume 0.45519E-02 ppm1 4.425 ppm2 0.810 CV 1 OR { 1520} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 41 and name HA )) ASSI { 1714} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 139 and name HA )) 3.600 1.700 1.700 peak 1714 weight 0.10000E+01 volume 0.19326E-02 ppm1 5.166 ppm2 0.575 CV 1 OR { 1714} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 139 and name HA )) ASSI { 2091} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 3.300 1.300 1.300 peak 2091 weight 0.10000E+01 volume 0.23865E-02 ppm1 4.507 ppm2 1.705 CV 1 OR { 2091} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 27 and name HA )) ASSI { 2217} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 52 and name HB1 )) 3.900 1.900 1.900 peak 2217 weight 0.10000E+01 volume 0.14950E-02 ppm1 2.635 ppm2 1.966 CV 1 OR { 2217} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 52 and name HB2 )) OR { 2217} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 118 and name HB )) OR { 2217} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 2220} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB )) 2.500 0.800 0.800 peak 2220 weight 0.10000E+01 volume 0.69154E-02 ppm1 2.623 ppm2 8.307 CV 1 OR { 2220} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 2221} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB )) 3.200 1.300 1.300 peak 2221 weight 0.10000E+01 volume 0.19797E-02 ppm1 2.621 ppm2 3.613 CV 1 OR { 2221} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HB2 )) ASSI { 2224} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 52 and name HB1 )) 3.900 1.900 1.900 peak 2224 weight 0.10000E+01 volume 0.14732E-02 ppm1 2.619 ppm2 1.973 CV 1 OR { 2224} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 52 and name HB2 )) OR { 2224} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 118 and name HB )) ASSI { 2226} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 118 and name HB )) 4.200 2.200 1.800 peak 2226 weight 0.10000E+01 volume 0.63862E-03 ppm1 2.597 ppm2 2.086 CV 1 OR { 2226} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 52 and name HB1 )) OR { 2226} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 2380} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.300 0.600 0.600 peak 2380 weight 0.10000E+01 volume 0.68553E-02 ppm1 4.906 ppm2 8.503 CV 1 OR { 2380} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) ASSI { 2385} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HA )) 3.400 1.400 1.400 peak 2385 weight 0.10000E+01 volume 0.27521E-02 ppm1 4.890 ppm2 0.578 CV 1 OR { 2385} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HA )) OR { 2385} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 121 and name HA )) OR { 2385} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HA )) ASSI { 2387} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.100 1.200 1.200 peak 2387 weight 0.10000E+01 volume 0.19632E-02 ppm1 4.863 ppm2 9.001 CV 1 OR { 2387} (( segid " " and resid 123 and name HN )) (( segid " " and resid 114 and name HA )) ASSI { 2389} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 2389 weight 0.10000E+01 volume 0.30743E-02 ppm1 4.873 ppm2 1.318 CV 1 OR { 2389} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HA )) OR { 2389} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 114 and name HA )) OR { 2389} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HA )) OR { 2389} (( segid " " and resid 122 and name HB )) (( segid " " and resid 114 and name HA )) ASSI { 2390} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 120 and name HA )) 3.300 1.400 1.400 peak 2390 weight 0.10000E+01 volume 0.27472E-02 ppm1 4.868 ppm2 0.577 CV 1 OR { 2390} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HA )) ASSI { 2515} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 52 and name HB1 )) 3.400 1.500 1.500 peak 2515 weight 0.10000E+01 volume 0.66029E-03 ppm1 2.626 ppm2 0.557 CV 1 OR { 2515} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 52 and name HB2 )) OR { 2515} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 52 and name HB2 )) OR { 2515} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 2531} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.100 0.600 0.600 peak 2531 weight 0.10000E+01 volume 0.92529E-02 ppm1 5.272 ppm2 8.622 CV 1 OR { 2531} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) ASSI { 2532} (( segid " " and resid 67 and name HN )) (( segid " " and resid 115 and name HA )) 3.900 1.900 1.900 peak 2532 weight 0.10000E+01 volume 0.11179E-02 ppm1 5.274 ppm2 8.389 CV 1 OR { 2532} (( segid " " and resid 131 and name HN )) (( segid " " and resid 127 and name HA )) ASSI { 2540} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 115 and name HA )) 4.000 2.000 2.000 peak 2540 weight 0.10000E+01 volume 0.10723E-02 ppm1 5.272 ppm2 1.452 CV 1 OR { 2540} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 127 and name HA )) OR { 2540} (( segid " " and resid 120 and name HG )) (( segid " " and resid 115 and name HA )) OR { 2540} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 127 and name HA )) ASSI { 2541} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HA )) 3.200 1.200 1.200 peak 2541 weight 0.10000E+01 volume 0.49452E-02 ppm1 5.272 ppm2 0.979 CV 1 OR { 2541} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 127 and name HA )) ASSI { 2542} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 115 and name HA )) 2.800 0.900 0.900 peak 2542 weight 0.10000E+01 volume 0.78576E-02 ppm1 5.272 ppm2 0.708 CV 1 OR { 2542} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 127 and name HA )) ASSI { 2656} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 104 and name HD2 )) 4.300 2.300 1.700 peak 2656 weight 0.10000E+01 volume 0.63322E-03 ppm1 1.652 ppm2 0.849 CV 1 OR { 2656} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 104 and name HD2 )) OR { 2656} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 104 and name HD2 )) ASSI { 2657} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HD2 )) 3.700 1.700 1.700 peak 2657 weight 0.10000E+01 volume 0.24885E-02 ppm1 1.639 ppm2 3.983 CV 1 OR { 2657} (( segid " " and resid 101 and name HA )) (( segid " " and resid 104 and name HD2 )) ASSI { 2659} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HD2 )) 2.300 0.700 0.700 peak 2659 weight 0.10000E+01 volume 0.76403E-02 ppm1 1.634 ppm2 1.311 CV 1 OR { 2659} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HD2 )) OR { 2659} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 104 and name HD2 )) ASSI { 2662} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HD2 )) 3.800 1.800 1.800 peak 2662 weight 0.10000E+01 volume 0.18259E-02 ppm1 1.630 ppm2 8.268 CV 1 OR { 2662} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HD2 )) ASSI { 2664} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HD2 )) 4.200 2.200 1.800 peak 2664 weight 0.10000E+01 volume 0.14483E-02 ppm1 1.621 ppm2 0.628 CV 1 OR { 2664} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HD2 )) ASSI { 2665} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HD2 )) 4.200 2.200 1.800 peak 2665 weight 0.10000E+01 volume 0.14260E-02 ppm1 1.625 ppm2 0.582 CV 1 OR { 2665} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 104 and name HD2 )) ASSI { 2674} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 127 and name HA )) 3.800 1.800 1.800 peak 2674 weight 0.10000E+01 volume 0.20213E-02 ppm1 5.273 ppm2 2.165 CV 1 OR { 2674} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 127 and name HA )) ASSI { 2760} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 104 and name HD2 )) 4.600 2.600 1.400 peak 2760 weight 0.10000E+01 volume 0.72029E-03 ppm1 1.648 ppm2 2.136 CV 1 OR { 2760} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 104 and name HD2 )) OR { 2760} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 104 and name HD2 )) OR { 2760} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 104 and name HD2 )) ASSI { 2823} (( segid " " and resid 141 and name HB )) (( segid " " and resid 119 and name HB1 )) 3.600 1.600 1.600 peak 2823 weight 0.10000E+01 volume 0.56931E-02 ppm1 1.962 ppm2 1.830 CV 1 OR { 2823} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 119 and name HB1 )) ASSI { 2918} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 119 and name HB1 )) 3.700 1.800 1.800 peak 2918 weight 0.10000E+01 volume 0.24671E-02 ppm1 1.972 ppm2 0.938 CV 1 OR { 2918} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 119 and name HB1 )) OR { 2918} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 119 and name HB1 )) OR { 2918} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 119 and name HB1 )) ASSI { 2922} (( segid " " and resid 139 and name HE2 )) (( segid " " and resid 119 and name HB1 )) 4.000 2.000 2.000 peak 2922 weight 0.10000E+01 volume 0.67368E-03 ppm1 1.967 ppm2 2.655 CV 1 OR { 2922} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HB1 )) ASSI { 3025} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.500 0.800 0.800 peak 3025 weight 0.10000E+01 volume 0.30313E-02 ppm1 4.883 ppm2 8.197 CV 1 OR { 3025} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) ASSI { 3135} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 70 and name HA )) 4.100 2.100 1.900 peak 3135 weight 0.10000E+01 volume 0.10656E-02 ppm1 4.884 ppm2 2.001 CV 1 OR { 3135} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HA )) ASSI { 3143} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 109 and name HA )) 4.600 2.700 1.400 peak 3143 weight 0.10000E+01 volume 0.73567E-03 ppm1 4.498 ppm2 1.778 CV 1 OR { 3143} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HA )) OR { 3143} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HA )) OR { 3143} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 109 and name HA )) OR { 3143} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 3325} (( segid " " and resid 73 and name HA )) (( segid " " and resid 70 and name HA )) 4.400 2.400 1.600 peak 3325 weight 0.10000E+01 volume 0.14337E-02 ppm1 4.869 ppm2 4.210 CV 1 OR { 3325} (( segid " " and resid 74 and name HA )) (( segid " " and resid 70 and name HA )) ASSI { 3343} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 23 and name HA )) 3.700 1.700 1.700 peak 3343 weight 0.10000E+01 volume 0.76482E-03 ppm1 4.176 ppm2 2.913 CV 1 OR { 3343} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 23 and name HA )) OR { 3343} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 23 and name HA )) ASSI { 3392} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB2 )) 4.300 2.300 1.700 peak 3392 weight 0.10000E+01 volume 0.95616E-03 ppm1 2.152 ppm2 8.291 CV 1 OR { 3392} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HB1 )) OR { 3392} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HB2 )) OR { 3392} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HB1 )) ASSI { 3395} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 2.300 0.700 0.700 peak 3395 weight 0.10000E+01 volume 0.89842E-02 ppm1 2.159 ppm2 3.959 CV 1 OR { 3395} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) OR { 3395} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 101 and name HB2 )) ASSI { 3396} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 101 and name HB2 )) 3.800 1.800 1.800 peak 3396 weight 0.10000E+01 volume 0.70731E-03 ppm1 2.158 ppm2 3.783 CV 1 OR { 3396} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 101 and name HB1 )) OR { 3396} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HB2 )) ASSI { 3397} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HB1 )) 4.100 2.100 1.900 peak 3397 weight 0.10000E+01 volume 0.82735E-03 ppm1 2.163 ppm2 3.512 CV 1 OR { 3397} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HB2 )) OR { 3397} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HB1 )) OR { 3397} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HB2 )) ASSI { 3398} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HB2 )) 2.200 0.600 0.600 peak 3398 weight 0.10000E+01 volume 0.14645E-01 ppm1 2.154 ppm2 2.338 CV 1 OR { 3398} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HB1 )) OR { 3398} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HB1 )) OR { 3398} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HB2 )) OR { 3398} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HB2 )) ASSI { 3400} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 101 and name HB2 )) 4.100 2.100 1.900 peak 3400 weight 0.10000E+01 volume 0.15154E-02 ppm1 2.160 ppm2 1.467 CV 1 OR { 3400} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 101 and name HB1 )) OR { 3400} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 101 and name HB2 )) OR { 3400} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HB1 )) OR { 3400} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 101 and name HB1 )) OR { 3400} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HB2 )) ASSI { 3401} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HB2 )) 3.100 1.200 1.200 peak 3401 weight 0.10000E+01 volume 0.19437E-02 ppm1 2.162 ppm2 0.991 CV 1 OR { 3401} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HB1 )) OR { 3401} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 101 and name HB1 )) ASSI { 3404} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG12)) 3.600 1.600 1.600 peak 3404 weight 0.10000E+01 volume 0.26513E-02 ppm1 1.677 ppm2 8.311 CV 1 OR { 3404} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HD2 )) ASSI { 3444} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.300 1.400 1.400 peak 3444 weight 0.10000E+01 volume 0.21408E-02 ppm1 4.178 ppm2 7.549 CV 1 OR { 3444} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 3445} (( segid " " and resid 26 and name HA1 )) (( segid " " and resid 23 and name HA )) 3.800 1.800 1.800 peak 3445 weight 0.10000E+01 volume 0.10289E-02 ppm1 4.178 ppm2 3.739 CV 1 OR { 3445} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HA )) OR { 3445} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HA )) ASSI { 3492} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.600 0.800 0.800 peak 3492 weight 0.10000E+01 volume 0.71089E-02 ppm1 2.118 ppm2 7.847 CV 1 OR { 3492} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 3497} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 2.100 0.600 0.600 peak 3497 weight 0.10000E+01 volume 0.80436E-02 ppm1 2.067 ppm2 7.844 CV 1 OR { 3497} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) ASSI { 3498} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HB1 )) 2.000 0.500 0.500 peak 3498 weight 0.10000E+01 volume 0.19353E-01 ppm1 2.067 ppm2 2.304 CV 1 OR { 3498} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 88 and name HB2 )) OR { 3498} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HB1 )) OR { 3498} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HB2 )) ASSI { 3505} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 3505 weight 0.10000E+01 volume 0.15069E-02 ppm1 1.787 ppm2 0.640 CV 1 OR { 3505} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 77 and name HB2 )) ASSI { 3512} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HD2 )) 3.300 1.300 1.300 peak 3512 weight 0.10000E+01 volume 0.33060E-02 ppm1 1.691 ppm2 4.040 CV 1 OR { 3512} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HG12)) OR { 3512} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HG12)) ASSI { 3513} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 21 and name HD1 )) 1.800 0.400 0.400 peak 3513 weight 0.10000E+01 volume 0.84971E-02 ppm1 1.688 ppm2 2.931 CV 1 OR { 3513} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 21 and name HD1 )) OR { 3513} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 21 and name HD2 )) OR { 3513} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 21 and name HD2 )) OR { 3513} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HD2 )) OR { 3513} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HD1 )) ASSI { 3516} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD2 )) 4.100 2.100 1.900 peak 3516 weight 0.10000E+01 volume 0.11695E-02 ppm1 1.622 ppm2 9.215 CV 1 OR { 3516} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HD2 )) OR { 3516} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HD1 )) OR { 3516} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HD1 )) ASSI { 3518} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HD2 )) 2.100 0.500 0.500 peak 3518 weight 0.10000E+01 volume 0.17884E-01 ppm1 1.613 ppm2 2.917 CV 1 OR { 3518} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HD1 )) OR { 3518} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HD1 )) OR { 3518} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HD2 )) OR { 3518} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HD1 )) OR { 3518} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HD2 )) OR { 3518} (( segid " " and resid 95 and name HE1 )) (( segid " " and resid 95 and name HD1 )) ASSI { 3629} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HB1 )) 4.500 2.500 1.500 peak 3629 weight 0.10000E+01 volume 0.10126E-02 ppm1 2.064 ppm2 1.568 CV 1 OR { 3629} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 88 and name HB2 )) OR { 3629} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 18 and name HB1 )) OR { 3629} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HB1 )) ASSI { 3630} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 2.300 0.600 0.600 peak 3630 weight 0.10000E+01 volume 0.97185E-02 ppm1 2.060 ppm2 4.042 CV 1 OR { 3630} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB1 )) ASSI { 3638} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG12)) 2.800 1.000 1.000 peak 3638 weight 0.10000E+01 volume 0.32338E-02 ppm1 1.682 ppm2 7.883 CV 1 OR { 3638} (( segid " " and resid 99 and name HN )) (( segid " " and resid 103 and name HG11)) OR { 3638} (( segid " " and resid 99 and name HN )) (( segid " " and resid 103 and name HG12)) ASSI { 3639} (( segid " " and resid 128 and name HB )) (( segid " " and resid 16 and name HG12)) 4.200 2.200 1.800 peak 3639 weight 0.10000E+01 volume 0.10273E-02 ppm1 1.675 ppm2 4.798 CV 1 OR { 3639} (( segid " " and resid 107 and name HA )) (( segid " " and resid 16 and name HG12)) OR { 3639} (( segid " " and resid 106 and name HA )) (( segid " " and resid 16 and name HG12)) OR { 3639} (( segid " " and resid 128 and name HA )) (( segid " " and resid 16 and name HG12)) ASSI { 3640} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HG12)) 2.800 1.000 1.000 peak 3640 weight 0.10000E+01 volume 0.59357E-02 ppm1 1.682 ppm2 1.979 CV 1 OR { 3640} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HD2 )) OR { 3640} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HD1 )) OR { 3640} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 16 and name HG12)) ASSI { 3642} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HG12)) 2.100 0.600 0.600 peak 3642 weight 0.10000E+01 volume 0.73060E-02 ppm1 1.679 ppm2 0.844 CV 1 OR { 3642} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HD1 )) ASSI { 3654} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG12)) 2.800 1.000 1.000 peak 3654 weight 0.10000E+01 volume 0.34536E-02 ppm1 1.238 ppm2 3.695 CV 1 OR { 3654} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG11)) OR { 3654} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HG11)) OR { 3654} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HG12)) ASSI { 3672} (( segid " " and resid 140 and name HB )) (( segid " " and resid 139 and name HD2 )) 3.800 1.900 1.900 peak 3672 weight 0.10000E+01 volume 0.81268E-03 ppm1 0.986 ppm2 1.800 CV 1 OR { 3672} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 139 and name HD2 )) OR { 3672} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 139 and name HD1 )) ASSI { 3815} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG12)) 2.700 0.900 0.900 peak 3815 weight 0.10000E+01 volume 0.22640E-02 ppm1 1.678 ppm2 3.478 CV 1 OR { 3815} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 21 and name HD1 )) OR { 3815} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 21 and name HD2 )) ASSI { 3816} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 16 and name HG12)) 3.800 1.800 1.800 peak 3816 weight 0.10000E+01 volume 0.82819E-03 ppm1 1.681 ppm2 2.423 CV 1 OR { 3816} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 16 and name HG12)) OR { 3816} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 16 and name HG12)) ASSI { 3889} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.800 0.400 0.400 peak 3889 weight 0.10000E+01 volume 0.12432E-01 ppm1 2.194 ppm2 1.798 CV 1 OR { 3889} (( segid " " and resid 141 and name HB )) (( segid " " and resid 32 and name HB1 )) ASSI { 3908} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 71 and name HG11)) 3.000 1.100 1.100 peak 3908 weight 0.10000E+01 volume 0.42340E-02 ppm1 1.359 ppm2 0.615 CV 1 OR { 3908} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 71 and name HG11)) ASSI { 3963} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 88 and name HB2 )) 4.600 2.700 1.400 peak 3963 weight 0.10000E+01 volume 0.88332E-03 ppm1 2.040 ppm2 1.567 CV 1 OR { 3963} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 62 and name HB2 )) ASSI { 3976} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HG11)) 2.300 0.700 0.700 peak 3976 weight 0.10000E+01 volume 0.50067E-02 ppm1 1.362 ppm2 0.803 CV 1 OR { 3976} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 71 and name HG11)) OR { 3976} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 71 and name HG11)) ASSI { 3979} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.400 1.500 1.500 peak 3979 weight 0.10000E+01 volume 0.95457E-03 ppm1 0.681 ppm2 6.731 CV 1 OR { 3979} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HB2 )) ASSI { 3986} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HB1 )) 5.100 3.200 0.900 peak 3986 weight 0.10000E+01 volume 0.67987E-03 ppm1 -0.488 ppm2 6.731 CV 1 OR { 3986} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HB1 )) ASSI { 4003} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 4003 weight 0.10000E+01 volume 0.16906E-02 ppm1 5.499 ppm2 8.917 CV 1 OR { 4003} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 4117} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HA )) 4.800 2.900 1.200 peak 4117 weight 0.10000E+01 volume 0.89970E-03 ppm1 4.185 ppm2 6.733 CV 1 OR { 4117} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HA )) ASSI { 4155} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 56 and name HB1 )) 5.100 3.300 0.900 peak 4155 weight 0.10000E+01 volume 0.63363E-03 ppm1 1.915 ppm2 0.945 CV 1 OR { 4155} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HB1 )) ASSI { 4197} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 62 and name HB2 )) 4.300 2.300 1.700 peak 4197 weight 0.10000E+01 volume 0.16227E-02 ppm1 2.067 ppm2 0.554 CV 1 OR { 4197} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HB2 )) ASSI { 4198} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 4.800 2.800 1.200 peak 4198 weight 0.10000E+01 volume 0.81317E-03 ppm1 2.019 ppm2 1.354 CV 1 OR { 4198} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 62 and name HB1 )) ASSI { 4201} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.200 0.600 0.600 peak 4201 weight 0.10000E+01 volume 0.71245E-02 ppm1 1.985 ppm2 3.967 CV 1 OR { 4201} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) ASSI { 4202} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HB1 )) 2.100 0.500 0.500 peak 4202 weight 0.10000E+01 volume 0.10900E-01 ppm1 1.988 ppm2 2.355 CV 1 OR { 4202} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 56 and name HB2 )) OR { 4202} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HB1 )) OR { 4202} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HB2 )) ASSI { 4204} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 62 and name HB1 )) 3.000 1.100 1.100 peak 4204 weight 0.10000E+01 volume 0.16947E-02 ppm1 1.989 ppm2 0.553 CV 1 OR { 4204} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HB1 )) ASSI { 4205} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HB1 )) 5.200 3.400 0.800 peak 4205 weight 0.10000E+01 volume 0.56997E-03 ppm1 1.921 ppm2 0.990 CV 1 OR { 4205} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HB1 )) ASSI { 4215} (( segid " " and resid 108 and name HG1 )) (( segid " " and resid 107 and name HA )) 4.400 2.400 1.600 peak 4215 weight 0.10000E+01 volume 0.12274E-02 ppm1 4.812 ppm2 1.446 CV 1 OR { 4215} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 107 and name HA )) ASSI { 4261} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HB2 )) 2.100 0.500 0.500 peak 4261 weight 0.10000E+01 volume 0.14074E-01 ppm1 2.084 ppm2 2.376 CV 1 OR { 4261} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HB1 )) OR { 4261} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HB1 )) ASSI { 4262} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 19 and name HB1 )) 4.300 2.300 1.700 peak 4262 weight 0.10000E+01 volume 0.13884E-02 ppm1 2.070 ppm2 1.604 CV 1 OR { 4262} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 19 and name HB1 )) OR { 4262} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 62 and name HB2 )) OR { 4262} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 129 and name HG2 )) OR { 4262} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 129 and name HG2 )) ASSI { 4265} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HB2 )) 3.900 1.900 1.900 peak 4265 weight 0.10000E+01 volume 0.11984E-02 ppm1 2.026 ppm2 0.971 CV 1 OR { 4265} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HB2 )) ASSI { 4268} (( segid " " and resid 93 and name HA )) (( segid " " and resid 89 and name HB1 )) 3.200 1.300 1.300 peak 4268 weight 0.10000E+01 volume 0.36778E-02 ppm1 1.697 ppm2 4.125 CV 1 OR { 4268} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HB1 )) ASSI { 4360} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.500 1.500 1.500 peak 4360 weight 0.10000E+01 volume 0.15785E-02 ppm1 3.631 ppm2 6.730 CV 1 OR { 4360} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 84 and name HB2 )) ASSI { 4375} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 129 and name HG2 )) 4.000 2.000 2.000 peak 4375 weight 0.10000E+01 volume 0.14770E-02 ppm1 2.090 ppm2 1.630 CV 1 OR { 4375} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 22 and name HB2 )) OR { 4375} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 19 and name HB1 )) OR { 4375} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 19 and name HB1 )) OR { 4375} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 22 and name HB1 )) ASSI { 4376} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 129 and name HG2 )) 3.800 1.800 1.800 peak 4376 weight 0.10000E+01 volume 0.12348E-02 ppm1 2.094 ppm2 1.498 CV 1 OR { 4376} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 129 and name HG2 )) OR { 4376} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 19 and name HB1 )) OR { 4376} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HB2 )) OR { 4376} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 19 and name HB1 )) OR { 4376} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 22 and name HB2 )) OR { 4376} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HB1 )) OR { 4376} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 22 and name HB1 )) OR { 4376} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HB1 )) ASSI { 4377} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 22 and name HB1 )) 3.200 1.300 1.300 peak 4377 weight 0.10000E+01 volume 0.17232E-02 ppm1 2.090 ppm2 1.346 CV 1 OR { 4377} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 129 and name HG2 )) OR { 4377} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 22 and name HB2 )) ASSI { 4378} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 129 and name HG2 )) 3.500 1.500 1.500 peak 4378 weight 0.10000E+01 volume 0.21654E-02 ppm1 2.084 ppm2 1.722 CV 1 OR { 4378} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 129 and name HG2 )) OR { 4378} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 22 and name HB2 )) OR { 4378} (( segid " " and resid 17 and name HG )) (( segid " " and resid 19 and name HB1 )) OR { 4378} (( segid " " and resid 17 and name HG )) (( segid " " and resid 22 and name HB2 )) OR { 4378} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 19 and name HB1 )) OR { 4378} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 19 and name HB1 )) ASSI { 4384} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 89 and name HB1 )) 4.100 2.100 1.900 peak 4384 weight 0.10000E+01 volume 0.66398E-03 ppm1 1.712 ppm2 1.170 CV 1 OR { 4384} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 89 and name HB1 )) ASSI { 4389} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HB1 )) 2.500 0.800 0.800 peak 4389 weight 0.10000E+01 volume 0.64284E-02 ppm1 1.705 ppm2 1.953 CV 1 OR { 4389} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HD1 )) OR { 4389} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 89 and name HB1 )) OR { 4389} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 98 and name HD1 )) OR { 4389} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 98 and name HD2 )) ASSI { 4392} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 115 and name HG )) 4.000 2.000 2.000 peak 4392 weight 0.10000E+01 volume 0.11045E-02 ppm1 1.637 ppm2 0.442 CV 1 OR { 4392} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 115 and name HG )) ASSI { 4400} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HG )) 3.700 1.700 1.700 peak 4400 weight 0.10000E+01 volume 0.10428E-02 ppm1 1.626 ppm2 4.852 CV 1 OR { 4400} (( segid " " and resid 113 and name HA )) (( segid " " and resid 115 and name HG )) OR { 4400} (( segid " " and resid 122 and name HA )) (( segid " " and resid 115 and name HG )) ASSI { 4402} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 115 and name HG )) 3.600 1.600 1.600 peak 4402 weight 0.10000E+01 volume 0.91756E-03 ppm1 1.628 ppm2 2.542 CV 1 OR { 4402} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 115 and name HG )) ASSI { 4532} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 19 and name HB1 )) 4.300 2.300 1.700 peak 4532 weight 0.10000E+01 volume 0.13527E-02 ppm1 2.105 ppm2 1.543 CV 1 OR { 4532} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 19 and name HB1 )) OR { 4532} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 129 and name HG2 )) OR { 4532} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HB2 )) OR { 4532} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 129 and name HG2 )) OR { 4532} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 19 and name HB1 )) OR { 4532} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 129 and name HG2 )) OR { 4532} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HB1 )) ASSI { 4534} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 2.800 1.000 1.000 peak 4534 weight 0.10000E+01 volume 0.54645E-02 ppm1 2.090 ppm2 7.814 CV 1 OR { 4534} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 4534} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 4534} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 4535} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HB1 )) 3.200 1.300 1.300 peak 4535 weight 0.10000E+01 volume 0.19088E-02 ppm1 2.093 ppm2 4.231 CV 1 OR { 4535} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 4535} (( segid " " and resid 12 and name HB )) (( segid " " and resid 129 and name HG2 )) ASSI { 4536} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HG2 )) 2.100 0.600 0.600 peak 4536 weight 0.10000E+01 volume 0.14557E-01 ppm1 2.092 ppm2 4.037 CV 1 OR { 4536} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) OR { 4536} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 4536} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 129 and name HG2 )) ASSI { 4537} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HB2 )) 3.700 1.700 1.700 peak 4537 weight 0.10000E+01 volume 0.98889E-03 ppm1 2.095 ppm2 3.731 CV 1 OR { 4537} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 4537} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HB1 )) OR { 4537} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HB1 )) OR { 4537} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 4540} (( segid " " and resid 20 and name HG )) (( segid " " and resid 22 and name HB2 )) 4.200 2.200 1.800 peak 4540 weight 0.10000E+01 volume 0.68881E-03 ppm1 2.087 ppm2 0.988 CV 1 OR { 4540} (( segid " " and resid 20 and name HG )) (( segid " " and resid 19 and name HB1 )) OR { 4540} (( segid " " and resid 20 and name HG )) (( segid " " and resid 22 and name HB1 )) ASSI { 4541} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 129 and name HG2 )) 3.700 1.700 1.700 peak 4541 weight 0.10000E+01 volume 0.11728E-02 ppm1 2.095 ppm2 0.847 CV 1 OR { 4541} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 22 and name HB2 )) OR { 4541} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 19 and name HB1 )) ASSI { 4633} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HD1 )) 3.700 1.700 1.700 peak 4633 weight 0.10000E+01 volume 0.13102E-02 ppm1 7.172 ppm2 2.961 CV 1 OR { 4633} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HD1 )) ASSI { 4644} (( segid " " and resid 74 and name HN )) (( segid " " and resid 110 and name HG2 )) 5.000 3.200 1.000 peak 4644 weight 0.10000E+01 volume 0.66457E-03 ppm1 1.467 ppm2 8.150 CV 1 OR { 4644} (( segid " " and resid 40 and name HN )) (( segid " " and resid 110 and name HG1 )) OR { 4644} (( segid " " and resid 70 and name HN )) (( segid " " and resid 110 and name HG2 )) OR { 4644} (( segid " " and resid 74 and name HN )) (( segid " " and resid 110 and name HG1 )) ASSI { 4649} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 110 and name HG2 )) 2.200 0.600 0.600 peak 4649 weight 0.10000E+01 volume 0.63675E-02 ppm1 1.469 ppm2 0.812 CV 1 OR { 4649} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 110 and name HG1 )) OR { 4649} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 110 and name HG2 )) OR { 4649} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 110 and name HG1 )) ASSI { 4700} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 129 and name HG1 )) 2.600 0.800 0.800 peak 4700 weight 0.10000E+01 volume 0.39315E-02 ppm1 1.964 ppm2 4.068 CV 1 OR { 4700} (( segid " " and resid 129 and name HD2 )) (( segid " " and resid 129 and name HG1 )) OR { 4700} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 65 and name HG1 )) ASSI { 4703} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HG1 )) 2.200 0.600 0.600 peak 4703 weight 0.10000E+01 volume 0.76057E-02 ppm1 1.966 ppm2 2.251 CV 1 OR { 4703} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HG1 )) OR { 4703} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HG1 )) ASSI { 4705} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 129 and name HG1 )) 4.200 2.200 1.800 peak 4705 weight 0.10000E+01 volume 0.11719E-02 ppm1 1.959 ppm2 1.736 CV 1 OR { 4705} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 129 and name HG1 )) OR { 4705} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 19 and name HB2 )) OR { 4705} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 19 and name HB2 )) ASSI { 4898} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG12)) 3.500 1.500 1.500 peak 4898 weight 0.10000E+01 volume 0.13601E-02 ppm1 0.860 ppm2 4.830 CV 1 OR { 4898} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG11)) OR { 4898} (( segid " " and resid 112 and name HA )) (( segid " " and resid 125 and name HG12)) ASSI { 4916} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 132 and name HA )) 4.900 3.000 1.100 peak 4916 weight 0.10000E+01 volume 0.56009E-03 ppm1 5.638 ppm2 0.827 CV 1 OR { 4916} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 132 and name HA )) OR { 4916} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 132 and name HA )) ASSI { 5019} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 125 and name HG12)) 4.700 2.700 1.300 peak 5019 weight 0.10000E+01 volume 0.10167E-02 ppm1 0.880 ppm2 1.474 CV 1 OR { 5019} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 125 and name HG12)) OR { 5019} (( segid " " and resid 55 and name HG )) (( segid " " and resid 125 and name HG12)) OR { 5019} (( segid " " and resid 55 and name HG )) (( segid " " and resid 125 and name HG11)) OR { 5019} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 125 and name HG11)) OR { 5019} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 125 and name HG11)) ASSI { 5121} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 120 and name HG )) 4.300 2.300 1.700 peak 5121 weight 0.10000E+01 volume 0.94825E-03 ppm1 1.462 ppm2 0.990 CV 1 OR { 5121} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 120 and name HG )) ASSI { 5131} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 120 and name HG )) 2.300 0.600 0.600 peak 5131 weight 0.10000E+01 volume 0.71330E-02 ppm1 1.455 ppm2 1.250 CV 1 OR { 5131} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 120 and name HG )) ASSI { 5168} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 17 and name HG )) 4.400 2.400 1.600 peak 5168 weight 0.10000E+01 volume 0.60143E-03 ppm1 1.692 ppm2 2.892 CV 1 OR { 5168} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 17 and name HG )) OR { 5168} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 17 and name HG )) ASSI { 5214} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG1 )) 3.000 1.200 1.200 peak 5214 weight 0.10000E+01 volume 0.15210E-02 ppm1 1.314 ppm2 8.279 CV 1 OR { 5214} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) OR { 5214} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG1 )) OR { 5214} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG2 )) ASSI { 5219} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 104 and name HG1 )) 4.100 2.100 1.900 peak 5219 weight 0.10000E+01 volume 0.13356E-02 ppm1 1.306 ppm2 0.811 CV 1 OR { 5219} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 104 and name HG1 )) OR { 5219} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 104 and name HG2 )) ASSI { 5337} (( segid " " and resid 85 and name HA )) (( segid " " and resid 81 and name HG2 )) 3.700 1.800 1.800 peak 5337 weight 0.10000E+01 volume 0.24464E-02 ppm1 1.947 ppm2 4.291 CV 1 OR { 5337} (( segid " " and resid 24 and name HA )) (( segid " " and resid 99 and name HG )) ASSI { 5384} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HD1 )) 3.100 1.200 1.200 peak 5384 weight 0.10000E+01 volume 0.39594E-02 ppm1 4.062 ppm2 2.248 CV 1 OR { 5384} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD2 )) OR { 5384} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HD2 )) OR { 5384} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HD2 )) ASSI { 5385} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 129 and name HD2 )) 3.800 1.800 1.800 peak 5385 weight 0.10000E+01 volume 0.10956E-02 ppm1 4.058 ppm2 1.688 CV 1 OR { 5385} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 65 and name HD2 )) OR { 5385} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 129 and name HD2 )) OR { 5385} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 129 and name HD1 )) OR { 5385} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 129 and name HD1 )) OR { 5385} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 129 and name HD1 )) ASSI { 5386} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 129 and name HD2 )) 4.400 2.500 1.600 peak 5386 weight 0.10000E+01 volume 0.11489E-02 ppm1 4.059 ppm2 0.571 CV 1 OR { 5386} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 65 and name HD2 )) OR { 5386} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 129 and name HD1 )) OR { 5386} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 65 and name HD2 )) ASSI { 5432} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HG1 )) 3.200 1.300 1.300 peak 5432 weight 0.10000E+01 volume 0.27577E-02 ppm1 1.299 ppm2 0.603 CV 1 OR { 5432} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HG2 )) OR { 5432} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HG2 )) OR { 5432} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HG2 )) OR { 5432} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 114 and name HG1 )) OR { 5432} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 114 and name HG2 )) OR { 5432} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HG2 )) OR { 5432} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 114 and name HG2 )) OR { 5432} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HG1 )) ASSI { 5467} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HD2 )) 4.000 2.000 2.000 peak 5467 weight 0.10000E+01 volume 0.61599E-03 ppm1 4.076 ppm2 8.615 CV 1 OR { 5467} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HD2 )) ASSI { 5471} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 65 and name HD2 )) 2.200 0.600 0.600 peak 5471 weight 0.10000E+01 volume 0.77565E-02 ppm1 4.075 ppm2 1.983 CV 1 OR { 5471} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 129 and name HD2 )) OR { 5471} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HD2 )) ASSI { 5475} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 65 and name HD1 )) 2.200 0.600 0.600 peak 5475 weight 0.10000E+01 volume 0.10960E-01 ppm1 3.471 ppm2 1.939 CV 1 OR { 5475} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HD2 )) ASSI { 5476} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 65 and name HD1 )) 4.700 2.800 1.300 peak 5476 weight 0.10000E+01 volume 0.55636E-03 ppm1 3.473 ppm2 1.631 CV 1 OR { 5476} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 65 and name HD1 )) OR { 5476} (( segid " " and resid 115 and name HG )) (( segid " " and resid 65 and name HD1 )) OR { 5476} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 65 and name HD1 )) ASSI { 5481} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HD1 )) 2.500 0.800 0.800 peak 5481 weight 0.10000E+01 volume 0.70030E-02 ppm1 3.463 ppm2 4.600 CV 1 OR { 5481} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HD2 )) ASSI { 5527} (( segid " " and resid 90 and name HA )) (( segid " " and resid 81 and name HG2 )) 3.500 1.500 1.500 peak 5527 weight 0.10000E+01 volume 0.19168E-02 ppm1 1.949 ppm2 4.681 CV 1 OR { 5527} (( segid " " and resid 79 and name HA )) (( segid " " and resid 81 and name HG2 )) ASSI { 5536} (( segid " " and resid 24 and name HA )) (( segid " " and resid 27 and name HG )) 4.400 2.400 1.600 peak 5536 weight 0.10000E+01 volume 0.70483E-03 ppm1 1.286 ppm2 4.276 CV 1 OR { 5536} (( segid " " and resid 74 and name HA )) (( segid " " and resid 114 and name HG2 )) ASSI { 5675} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HG )) 3.400 1.500 1.500 peak 5675 weight 0.10000E+01 volume 0.21819E-02 ppm1 1.373 ppm2 4.832 CV 1 OR { 5675} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HG )) ASSI { 5685} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG2 )) 3.300 1.400 1.400 peak 5685 weight 0.10000E+01 volume 0.19684E-02 ppm1 1.283 ppm2 4.836 CV 1 OR { 5685} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HG2 )) OR { 5685} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HG1 )) OR { 5685} (( segid " " and resid 113 and name HA )) (( segid " " and resid 114 and name HG1 )) ASSI { 5738} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 99 and name HG )) 4.500 2.500 1.500 peak 5738 weight 0.10000E+01 volume 0.66902E-03 ppm1 1.896 ppm2 0.645 CV 1 OR { 5738} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 99 and name HG )) OR { 5738} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 36 and name HG1 )) ASSI { 5749} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HG2 )) 3.100 1.200 1.200 peak 5749 weight 0.10000E+01 volume 0.31624E-02 ppm1 1.310 ppm2 0.597 CV 1 OR { 5749} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HG2 )) OR { 5749} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 114 and name HG1 )) OR { 5749} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 114 and name HG2 )) OR { 5749} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HG2 )) OR { 5749} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 114 and name HG2 )) OR { 5749} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HG1 )) ASSI { 5788} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HG2 )) 4.500 2.500 1.500 peak 5788 weight 0.10000E+01 volume 0.63818E-03 ppm1 1.505 ppm2 7.665 CV 1 OR { 5788} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG )) OR { 5788} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HG )) ASSI { 5823} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 107 and name HG )) 2.200 0.600 0.600 peak 5823 weight 0.10000E+01 volume 0.61888E-02 ppm1 1.401 ppm2 0.582 CV 1 OR { 5823} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 107 and name HG )) ASSI { 5843} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 134 and name HA )) 4.400 2.500 1.600 peak 5843 weight 0.10000E+01 volume 0.72971E-03 ppm1 4.127 ppm2 2.925 CV 1 OR { 5843} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 134 and name HA )) OR { 5843} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 134 and name HA )) ASSI { 5845} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 134 and name HA )) 3.900 1.900 1.900 peak 5845 weight 0.10000E+01 volume 0.24089E-02 ppm1 4.124 ppm2 0.817 CV 1 OR { 5845} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 134 and name HA )) ASSI { 5852} (( segid " " and resid 105 and name HA )) (( segid " " and resid 110 and name HD2 )) 4.300 2.300 1.700 peak 5852 weight 0.10000E+01 volume 0.15346E-02 ppm1 3.745 ppm2 4.335 CV 1 OR { 5852} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HD2 )) ASSI { 5853} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 110 and name HD2 )) 3.100 1.200 1.200 peak 5853 weight 0.10000E+01 volume 0.98116E-03 ppm1 3.743 ppm2 3.960 CV 1 OR { 5853} (( segid " " and resid 101 and name HA )) (( segid " " and resid 110 and name HD2 )) ASSI { 5855} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD2 )) 3.100 1.200 1.200 peak 5855 weight 0.10000E+01 volume 0.41966E-02 ppm1 3.744 ppm2 1.802 CV 1 OR { 5855} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD2 )) OR { 5855} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 110 and name HD2 )) ASSI { 5857} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 110 and name HD2 )) 3.300 1.400 1.400 peak 5857 weight 0.10000E+01 volume 0.82041E-03 ppm1 3.742 ppm2 0.802 CV 1 OR { 5857} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 110 and name HD2 )) OR { 5857} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 110 and name HD2 )) ASSI { 5861} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 110 and name HD1 )) 2.400 0.700 0.700 peak 5861 weight 0.10000E+01 volume 0.62948E-02 ppm1 3.649 ppm2 1.781 CV 1 OR { 5861} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD1 )) OR { 5861} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 110 and name HD1 )) ASSI { 5866} (( segid " " and resid 105 and name HA )) (( segid " " and resid 110 and name HD1 )) 3.600 1.600 1.600 peak 5866 weight 0.10000E+01 volume 0.18865E-02 ppm1 3.648 ppm2 4.317 CV 1 OR { 5866} (( segid " " and resid 108 and name HA )) (( segid " " and resid 110 and name HD1 )) ASSI { 5912} (( segid " " and resid 126 and name HA2 )) ( segid " " and resid 133 and name HD1%) 4.700 2.800 1.300 peak 5912 weight 0.10000E+01 volume 0.67550E-03 ppm1 1.006 ppm2 3.401 CV 1 OR { 5912} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 133 and name HD1%) ASSI { 5913} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 133 and name HD1%) 4.900 3.000 1.100 peak 5913 weight 0.10000E+01 volume 0.61681E-03 ppm1 1.007 ppm2 3.009 CV 1 OR { 5913} (( segid " " and resid 54 and name HA )) ( segid " " and resid 133 and name HD1%) ASSI { 5919} (( segid " " and resid 133 and name HA )) ( segid " " and resid 133 and name HD1%) 3.600 1.600 1.600 peak 5919 weight 0.10000E+01 volume 0.13955E-02 ppm1 1.004 ppm2 5.274 CV 1 OR { 5919} (( segid " " and resid 127 and name HA )) ( segid " " and resid 133 and name HD1%) ASSI { 5920} (( segid " " and resid 45 and name HA )) ( segid " " and resid 133 and name HD1%) 3.200 1.300 1.300 peak 5920 weight 0.10000E+01 volume 0.11480E-02 ppm1 1.000 ppm2 4.706 CV 1 OR { 5920} (( segid " " and resid 126 and name HA1 )) ( segid " " and resid 133 and name HD1%) ASSI { 5922} (( segid " " and resid 48 and name HD1 )) ( segid " " and resid 133 and name HD1%) 3.600 1.600 1.600 peak 5922 weight 0.10000E+01 volume 0.21712E-02 ppm1 1.004 ppm2 3.656 CV 1 OR { 5922} (( segid " " and resid 49 and name HA )) ( segid " " and resid 133 and name HD1%) OR { 5922} (( segid " " and resid 110 and name HD1 )) ( segid " " and resid 133 and name HD1%) ASSI { 5941} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 46 and name HA )) 4.500 2.500 1.500 peak 5941 weight 0.10000E+01 volume 0.90026E-03 ppm1 5.121 ppm2 1.759 CV 1 OR { 5941} (( segid " " and resid 53 and name HB )) (( segid " " and resid 46 and name HA )) OR { 5941} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 46 and name HA )) OR { 5941} (( segid " " and resid 54 and name HB )) (( segid " " and resid 46 and name HA )) ASSI { 5965} (( segid " " and resid 40 and name HN )) (( segid " " and resid 134 and name HA )) 4.300 2.300 1.700 peak 5965 weight 0.10000E+01 volume 0.58280E-03 ppm1 4.129 ppm2 8.181 CV 1 OR { 5965} (( segid " " and resid 41 and name HN )) (( segid " " and resid 134 and name HA )) ASSI { 5970} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 134 and name HA )) 4.100 2.100 1.900 peak 5970 weight 0.10000E+01 volume 0.90157E-03 ppm1 4.123 ppm2 1.490 CV 1 OR { 5970} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 134 and name HA )) OR { 5970} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 134 and name HA )) OR { 5970} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 134 and name HA )) OR { 5970} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 134 and name HA )) ASSI { 5972} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 134 and name HA )) 4.000 2.000 2.000 peak 5972 weight 0.10000E+01 volume 0.93167E-03 ppm1 4.122 ppm2 0.546 CV 1 OR { 5972} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 134 and name HA )) ASSI { 6022} (( segid " " and resid 114 and name HN )) ( segid " " and resid 115 and name HD2%) 3.700 1.700 1.700 peak 6022 weight 0.10000E+01 volume 0.97292E-03 ppm1 0.710 ppm2 9.001 CV 1 OR { 6022} (( segid " " and resid 123 and name HN )) ( segid " " and resid 115 and name HD2%) ASSI { 6027} (( segid " " and resid 58 and name HN )) ( segid " " and resid 115 and name HD2%) 4.000 2.000 2.000 peak 6027 weight 0.10000E+01 volume 0.19075E-02 ppm1 0.710 ppm2 7.241 CV 1 OR { 6027} (( segid " " and resid 56 and name HE21)) ( segid " " and resid 115 and name HD2%) ASSI { 6028} ( segid " " and resid 66 and name HD% ) ( segid " " and resid 115 and name HD2%) 3.700 1.700 1.700 peak 6028 weight 0.10000E+01 volume 0.24946E-02 ppm1 0.710 ppm2 6.971 CV 1 OR { 6028} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 115 and name HD2%) ASSI { 6038} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 115 and name HD2%) 2.900 1.100 1.100 peak 6038 weight 0.10000E+01 volume 0.34948E-02 ppm1 0.710 ppm2 2.763 CV 1 OR { 6038} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 115 and name HD2%) ASSI { 6039} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 115 and name HD2%) 2.900 1.000 1.000 peak 6039 weight 0.10000E+01 volume 0.40065E-02 ppm1 0.710 ppm2 2.547 CV 1 OR { 6039} (( segid " " and resid 121 and name HB1 )) ( segid " " and resid 115 and name HD2%) ASSI { 6057} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 46 and name HA )) 4.700 2.800 1.300 peak 6057 weight 0.10000E+01 volume 0.56153E-03 ppm1 5.122 ppm2 2.175 CV 1 OR { 6057} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 6160} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD2%) 3.200 1.300 1.300 peak 6160 weight 0.10000E+01 volume 0.38654E-02 ppm1 0.878 ppm2 8.125 CV 1 OR { 6160} (( segid " " and resid 13 and name HD22)) ( segid " " and resid 41 and name HD2%) ASSI { 6165} (( segid " " and resid 14 and name HA )) ( segid " " and resid 41 and name HD2%) 3.100 1.200 1.200 peak 6165 weight 0.10000E+01 volume 0.26382E-02 ppm1 0.877 ppm2 4.066 CV 1 OR { 6165} (( segid " " and resid 43 and name HA )) ( segid " " and resid 41 and name HD2%) ASSI { 6266} (( segid " " and resid 140 and name HN )) ( segid " " and resid 120 and name HD2%) 3.400 1.400 1.400 peak 6266 weight 0.10000E+01 volume 0.17904E-02 ppm1 0.605 ppm2 8.326 CV 1 OR { 6266} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HD2%) ASSI { 6272} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD2%) 3.000 1.100 1.100 peak 6272 weight 0.10000E+01 volume 0.59209E-02 ppm1 0.608 ppm2 4.870 CV 1 OR { 6272} (( segid " " and resid 114 and name HA )) ( segid " " and resid 120 and name HD2%) OR { 6272} (( segid " " and resid 116 and name HA1 )) ( segid " " and resid 120 and name HD2%) ASSI { 6276} (( segid " " and resid 140 and name HB )) ( segid " " and resid 120 and name HD2%) 2.100 0.500 0.500 peak 6276 weight 0.10000E+01 volume 0.90346E-02 ppm1 0.608 ppm2 1.840 CV 1 OR { 6276} (( segid " " and resid 142 and name HB1 )) ( segid " " and resid 120 and name HD2%) ASSI { 6283} (( segid " " and resid 142 and name HG1 )) ( segid " " and resid 120 and name HD1%) 3.300 1.400 1.400 peak 6283 weight 0.10000E+01 volume 0.16412E-02 ppm1 0.449 ppm2 2.197 CV 1 OR { 6283} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 120 and name HD1%) ASSI { 6290} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HD2%) 3.400 1.400 1.400 peak 6290 weight 0.10000E+01 volume 0.25322E-02 ppm1 0.285 ppm2 7.901 CV 1 OR { 6290} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD2%) ASSI { 6297} (( segid " " and resid 96 and name HA )) ( segid " " and resid 99 and name HD2%) 3.200 1.300 1.300 peak 6297 weight 0.10000E+01 volume 0.23378E-02 ppm1 0.286 ppm2 4.096 CV 1 OR { 6297} (( segid " " and resid 95 and name HA )) ( segid " " and resid 99 and name HD2%) ASSI { 6298} (( segid " " and resid 103 and name HA )) ( segid " " and resid 99 and name HD2%) 4.100 2.100 1.900 peak 6298 weight 0.10000E+01 volume 0.14504E-02 ppm1 0.285 ppm2 3.919 CV 1 OR { 6298} (( segid " " and resid 97 and name HA )) ( segid " " and resid 99 and name HD2%) OR { 6298} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 99 and name HD2%) ASSI { 6363} (( segid " " and resid 142 and name HB2 )) ( segid " " and resid 120 and name HD2%) 2.700 0.900 0.900 peak 6363 weight 0.10000E+01 volume 0.20723E-02 ppm1 0.606 ppm2 2.017 CV 1 OR { 6363} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 120 and name HD2%) ASSI { 6371} (( segid " " and resid 67 and name HN )) ( segid " " and resid 120 and name HD1%) 3.900 1.900 1.900 peak 6371 weight 0.10000E+01 volume 0.11878E-02 ppm1 0.447 ppm2 8.322 CV 1 OR { 6371} (( segid " " and resid 140 and name HN )) ( segid " " and resid 120 and name HD1%) OR { 6371} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HD1%) ASSI { 6372} (( segid " " and resid 66 and name HN )) ( segid " " and resid 120 and name HD1%) 3.900 1.900 1.900 peak 6372 weight 0.10000E+01 volume 0.14690E-02 ppm1 0.447 ppm2 8.046 CV 1 OR { 6372} (( segid " " and resid 117 and name HN )) ( segid " " and resid 120 and name HD1%) ASSI { 6373} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD1%) 3.200 1.300 1.300 peak 6373 weight 0.10000E+01 volume 0.86044E-02 ppm1 0.448 ppm2 4.898 CV 1 OR { 6373} (( segid " " and resid 114 and name HA )) ( segid " " and resid 120 and name HD1%) ASSI { 6498} (( segid " " and resid 27 and name HA )) ( segid " " and resid 28 and name HD1%) 4.800 2.900 1.200 peak 6498 weight 0.10000E+01 volume 0.92383E-03 ppm1 0.801 ppm2 4.535 CV 1 OR { 6498} (( segid " " and resid 29 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 6564} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HG1 )) 2.700 0.900 0.900 peak 6564 weight 0.10000E+01 volume 0.41777E-02 ppm1 1.517 ppm2 2.933 CV 1 OR { 6564} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HG2 )) OR { 6564} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 21 and name HG2 )) OR { 6564} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG2 )) OR { 6564} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG1 )) OR { 6564} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 21 and name HG2 )) OR { 6564} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HG2 )) ASSI { 6570} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) 4.400 2.400 1.600 peak 6570 weight 0.10000E+01 volume 0.81288E-03 ppm1 1.465 ppm2 8.259 CV 1 OR { 6570} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG1 )) ASSI { 6571} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 21 and name HG1 )) 2.500 0.800 0.800 peak 6571 weight 0.10000E+01 volume 0.42788E-02 ppm1 1.471 ppm2 2.924 CV 1 OR { 6571} (( segid " " and resid 108 and name HE2 )) (( segid " " and resid 108 and name HG1 )) OR { 6571} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HG2 )) OR { 6571} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HG1 )) OR { 6571} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 21 and name HG1 )) OR { 6571} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG2 )) ASSI { 6572} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 3.900 1.900 1.900 peak 6572 weight 0.10000E+01 volume 0.86307E-03 ppm1 1.473 ppm2 2.286 CV 1 OR { 6572} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 21 and name HG1 )) OR { 6572} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 21 and name HG1 )) OR { 6572} (( segid " " and resid 127 and name HG2 )) (( segid " " and resid 108 and name HG1 )) OR { 6572} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HG2 )) ASSI { 6580} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HD1%) 4.500 2.500 1.500 peak 6580 weight 0.10000E+01 volume 0.95688E-03 ppm1 0.540 ppm2 8.591 CV 1 OR { 6580} (( segid " " and resid 134 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 6582} (( segid " " and resid 17 and name HA )) ( segid " " and resid 20 and name HD1%) 2.700 0.900 0.900 peak 6582 weight 0.10000E+01 volume 0.46842E-02 ppm1 0.540 ppm2 3.738 CV 1 OR { 6582} (( segid " " and resid 20 and name HA )) ( segid " " and resid 20 and name HD1%) ASSI { 6584} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 20 and name HD1%) 2.700 0.900 0.900 peak 6584 weight 0.10000E+01 volume 0.53734E-02 ppm1 0.540 ppm2 1.900 CV 1 OR { 6584} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 20 and name HD1%) ASSI { 6638} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HG2 )) 2.800 1.000 1.000 peak 6638 weight 0.10000E+01 volume 0.36041E-02 ppm1 1.527 ppm2 1.876 CV 1 OR { 6638} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HG2 )) ASSI { 6639} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 21 and name HG2 )) 3.400 1.400 1.400 peak 6639 weight 0.10000E+01 volume 0.29185E-02 ppm1 1.527 ppm2 0.901 CV 1 OR { 6639} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HG1 )) OR { 6639} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 21 and name HG2 )) ASSI { 6640} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.000 2.000 2.000 peak 6640 weight 0.10000E+01 volume 0.10336E-02 ppm1 1.523 ppm2 8.263 CV 1 OR { 6640} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 6641} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HG1 )) 4.100 2.100 1.900 peak 6641 weight 0.10000E+01 volume 0.10292E-02 ppm1 1.524 ppm2 4.028 CV 1 OR { 6641} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HG2 )) ASSI { 6644} (( segid " " and resid 136 and name HN )) (( segid " " and resid 21 and name HG1 )) 4.300 2.300 1.700 peak 6644 weight 0.10000E+01 volume 0.13409E-02 ppm1 1.448 ppm2 7.850 CV 1 OR { 6644} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HG1 )) OR { 6644} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG1 )) ASSI { 6646} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 108 and name HG1 )) 3.500 1.500 1.500 peak 6646 weight 0.10000E+01 volume 0.21345E-02 ppm1 1.448 ppm2 2.431 CV 1 OR { 6646} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 108 and name HG1 )) OR { 6646} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 21 and name HG1 )) ASSI { 6658} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 136 and name HG11)) 4.000 2.000 2.000 peak 6658 weight 0.10000E+01 volume 0.59956E-03 ppm1 0.905 ppm2 7.324 CV 1 OR { 6658} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 136 and name HG12)) OR { 6658} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 136 and name HG11)) ASSI { 6662} (( segid " " and resid 136 and name HB )) (( segid " " and resid 136 and name HG11)) 3.000 1.100 1.100 peak 6662 weight 0.10000E+01 volume 0.15191E-02 ppm1 0.903 ppm2 1.890 CV 1 OR { 6662} (( segid " " and resid 136 and name HB )) (( segid " " and resid 136 and name HG12)) OR { 6662} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 136 and name HG12)) ASSI { 6663} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 136 and name HG12)) 2.700 0.900 0.900 peak 6663 weight 0.10000E+01 volume 0.68732E-02 ppm1 0.903 ppm2 1.449 CV 1 OR { 6663} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 136 and name HG11)) OR { 6663} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 136 and name HG11)) OR { 6663} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 136 and name HG12)) OR { 6663} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 136 and name HG12)) ASSI { 6669} (( segid " " and resid 136 and name HN )) ( segid " " and resid 20 and name HD1%) 3.900 1.900 1.900 peak 6669 weight 0.10000E+01 volume 0.10222E-02 ppm1 0.540 ppm2 7.853 CV 1 OR { 6669} (( segid " " and resid 16 and name HN )) ( segid " " and resid 20 and name HD1%) OR { 6669} (( segid " " and resid 19 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 6670} (( segid " " and resid 19 and name HE21)) ( segid " " and resid 20 and name HD1%) 3.800 1.800 1.800 peak 6670 weight 0.10000E+01 volume 0.89207E-03 ppm1 0.541 ppm2 6.796 CV 1 OR { 6670} (( segid " " and resid 135 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 6721} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HG2 )) 2.600 0.900 0.900 peak 6721 weight 0.10000E+01 volume 0.35596E-02 ppm1 1.530 ppm2 1.977 CV 1 OR { 6721} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 6721} (( segid " " and resid 16 and name HB )) (( segid " " and resid 11 and name HG1 )) ASSI { 6723} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HG1 )) 4.600 2.700 1.400 peak 6723 weight 0.10000E+01 volume 0.70810E-03 ppm1 1.448 ppm2 4.842 CV 1 OR { 6723} (( segid " " and resid 125 and name HA )) (( segid " " and resid 108 and name HG1 )) OR { 6723} (( segid " " and resid 125 and name HA )) (( segid " " and resid 21 and name HG1 )) ASSI { 6725} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.400 1.500 1.500 peak 6725 weight 0.10000E+01 volume 0.12328E-02 ppm1 1.438 ppm2 8.594 CV 1 OR { 6725} (( segid " " and resid 127 and name HN )) (( segid " " and resid 108 and name HG1 )) ASSI { 6727} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HG2 )) 3.500 1.500 1.500 peak 6727 weight 0.10000E+01 volume 0.14208E-02 ppm1 1.355 ppm2 9.222 CV 1 OR { 6727} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HG2 )) ASSI { 6731} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 136 and name HG12)) 3.900 1.900 1.900 peak 6731 weight 0.10000E+01 volume 0.20935E-02 ppm1 0.886 ppm2 0.639 CV 1 OR { 6731} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 136 and name HG11)) OR { 6731} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 136 and name HG11)) OR { 6731} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 136 and name HG12)) ASSI { 6733} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 100 and name HD2%) 4.400 2.400 1.600 peak 6733 weight 0.10000E+01 volume 0.81782E-03 ppm1 0.755 ppm2 7.306 CV 1 OR { 6733} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 100 and name HD2%) ASSI { 6734} (( segid " " and resid 126 and name HA1 )) ( segid " " and resid 107 and name HD2%) 3.600 1.600 1.600 peak 6734 weight 0.10000E+01 volume 0.37137E-02 ppm1 0.750 ppm2 4.721 CV 1 OR { 6734} (( segid " " and resid 124 and name HA )) ( segid " " and resid 100 and name HD2%) ASSI { 6735} (( segid " " and resid 72 and name HA )) ( segid " " and resid 100 and name HD2%) 3.900 1.900 1.900 peak 6735 weight 0.10000E+01 volume 0.30592E-02 ppm1 0.756 ppm2 4.452 CV 1 OR { 6735} (( segid " " and resid 41 and name HA )) ( segid " " and resid 107 and name HD2%) ASSI { 6736} (( segid " " and resid 76 and name HA )) ( segid " " and resid 100 and name HD2%) 4.500 2.500 1.500 peak 6736 weight 0.10000E+01 volume 0.75778E-03 ppm1 0.756 ppm2 4.094 CV 1 OR { 6736} (( segid " " and resid 134 and name HA )) ( segid " " and resid 107 and name HD2%) OR { 6736} (( segid " " and resid 71 and name HA )) ( segid " " and resid 100 and name HD2%) OR { 6736} (( segid " " and resid 129 and name HD2 )) ( segid " " and resid 107 and name HD2%) ASSI { 6737} (( segid " " and resid 97 and name HA )) ( segid " " and resid 100 and name HD2%) 3.800 1.800 1.800 peak 6737 weight 0.10000E+01 volume 0.18711E-02 ppm1 0.756 ppm2 3.944 CV 1 OR { 6737} (( segid " " and resid 101 and name HA )) ( segid " " and resid 100 and name HD2%) OR { 6737} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 107 and name HD2%) OR { 6737} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 100 and name HD2%) OR { 6737} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 100 and name HD2%) OR { 6737} (( segid " " and resid 104 and name HA )) ( segid " " and resid 100 and name HD2%) ASSI { 6738} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 100 and name HD2%) 2.500 0.800 0.800 peak 6738 weight 0.10000E+01 volume 0.48124E-02 ppm1 0.756 ppm2 3.534 CV 1 OR { 6738} (( segid " " and resid 100 and name HA )) ( segid " " and resid 100 and name HD2%) ASSI { 6740} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 107 and name HD2%) 2.400 0.700 0.700 peak 6740 weight 0.10000E+01 volume 0.66326E-02 ppm1 0.757 ppm2 1.771 CV 1 OR { 6740} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 100 and name HD2%) OR { 6740} (( segid " " and resid 107 and name HB2 )) ( segid " " and resid 107 and name HD2%) OR { 6740} (( segid " " and resid 104 and name HD1 )) ( segid " " and resid 100 and name HD2%) ASSI { 6741} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 100 and name HD2%) 2.300 0.700 0.700 peak 6741 weight 0.10000E+01 volume 0.75253E-02 ppm1 0.755 ppm2 1.452 CV 1 OR { 6741} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 100 and name HD2%) OR { 6741} (( segid " " and resid 110 and name HG1 )) ( segid " " and resid 100 and name HD2%) ASSI { 6743} (( segid " " and resid 20 and name HG )) ( segid " " and resid 107 and name HD2%) 3.100 1.200 1.200 peak 6743 weight 0.10000E+01 volume 0.37728E-02 ppm1 0.752 ppm2 0.924 CV 1 OR { 6743} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 107 and name HD2%) OR { 6743} (( segid " " and resid 136 and name HG11)) ( segid " " and resid 100 and name HD2%) OR { 6743} (( segid " " and resid 136 and name HG12)) ( segid " " and resid 100 and name HD2%) ASSI { 6821} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 115 and name HD1%) 3.900 1.900 1.900 peak 6821 weight 0.10000E+01 volume 0.16293E-02 ppm1 0.989 ppm2 2.718 CV 1 OR { 6821} (( segid " " and resid 52 and name HG2 )) ( segid " " and resid 115 and name HD1%) ASSI { 6824} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD2%) 4.100 2.100 1.900 peak 6824 weight 0.10000E+01 volume 0.21551E-02 ppm1 0.757 ppm2 7.900 CV 1 OR { 6824} (( segid " " and resid 16 and name HN )) ( segid " " and resid 107 and name HD2%) OR { 6824} (( segid " " and resid 72 and name HN )) ( segid " " and resid 100 and name HD2%) ASSI { 6825} (( segid " " and resid 76 and name HN )) ( segid " " and resid 100 and name HD2%) 4.400 2.500 1.600 peak 6825 weight 0.10000E+01 volume 0.77769E-03 ppm1 0.757 ppm2 7.495 CV 1 OR { 6825} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 100 and name HD2%) OR { 6825} (( segid " " and resid 19 and name HE22)) ( segid " " and resid 107 and name HD2%) ASSI { 6832} ( segid " " and resid 96 and name HE% ) ( segid " " and resid 27 and name HD1%) 2.800 0.900 0.900 peak 6832 weight 0.10000E+01 volume 0.46806E-02 ppm1 0.268 ppm2 7.562 CV 1 OR { 6832} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HD1%) ASSI { 6838} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 27 and name HD1%) 4.000 2.000 2.000 peak 6838 weight 0.10000E+01 volume 0.14358E-02 ppm1 0.267 ppm2 3.925 CV 1 OR { 6838} (( segid " " and resid 104 and name HA )) ( segid " " and resid 27 and name HD1%) ASSI { 6839} (( segid " " and resid 26 and name HA1 )) ( segid " " and resid 27 and name HD1%) 3.600 1.600 1.600 peak 6839 weight 0.10000E+01 volume 0.11999E-02 ppm1 0.267 ppm2 3.722 CV 1 OR { 6839} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 139 and name HG1 )) OR { 6839} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 139 and name HG1 )) OR { 6839} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 139 and name HG2 )) ASSI { 6841} (( segid " " and resid 104 and name HE2 )) ( segid " " and resid 27 and name HD1%) 3.300 1.400 1.400 peak 6841 weight 0.10000E+01 volume 0.11844E-02 ppm1 0.267 ppm2 2.919 CV 1 OR { 6841} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 139 and name HG2 )) ASSI { 6842} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 139 and name HG1 )) 3.500 1.500 1.500 peak 6842 weight 0.10000E+01 volume 0.22119E-02 ppm1 0.268 ppm2 2.102 CV 1 OR { 6842} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 139 and name HG2 )) OR { 6842} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 27 and name HD1%) OR { 6842} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 139 and name HG1 )) OR { 6842} (( segid " " and resid 95 and name HB1 )) ( segid " " and resid 27 and name HD1%) OR { 6842} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 139 and name HG2 )) ASSI { 6848} (( segid " " and resid 119 and name HA )) (( segid " " and resid 139 and name HG1 )) 4.000 2.000 2.000 peak 6848 weight 0.10000E+01 volume 0.92396E-03 ppm1 0.259 ppm2 4.733 CV 1 OR { 6848} (( segid " " and resid 28 and name HA )) ( segid " " and resid 27 and name HD1%) OR { 6848} (( segid " " and resid 119 and name HA )) (( segid " " and resid 139 and name HG2 )) OR { 6848} (( segid " " and resid 30 and name HA )) (( segid " " and resid 139 and name HG1 )) ASSI { 6891} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HG2 )) 2.900 1.000 1.000 peak 6891 weight 0.10000E+01 volume 0.20041E-02 ppm1 1.543 ppm2 0.818 CV 1 OR { 6891} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 11 and name HG1 )) ASSI { 6898} (( segid " " and resid 61 and name HN )) ( segid " " and resid 55 and name HD2%) 3.700 1.700 1.700 peak 6898 weight 0.10000E+01 volume 0.80354E-03 ppm1 0.544 ppm2 8.573 CV 1 OR { 6898} (( segid " " and resid 21 and name HN )) ( segid " " and resid 20 and name HD1%) ASSI { 6899} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HD2%) 3.800 1.800 1.800 peak 6899 weight 0.10000E+01 volume 0.19840E-02 ppm1 0.546 ppm2 8.202 CV 1 OR { 6899} (( segid " " and resid 105 and name HN )) ( segid " " and resid 20 and name HD1%) OR { 6899} (( segid " " and resid 68 and name HN )) ( segid " " and resid 55 and name HD2%) ASSI { 6901} (( segid " " and resid 59 and name HN )) ( segid " " and resid 55 and name HD2%) 3.900 1.900 1.900 peak 6901 weight 0.10000E+01 volume 0.10740E-02 ppm1 0.547 ppm2 7.656 CV 1 OR { 6901} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HD2%) ASSI { 6902} (( segid " " and resid 64 and name HN )) ( segid " " and resid 55 and name HD2%) 4.400 2.500 1.600 peak 6902 weight 0.10000E+01 volume 0.96617E-03 ppm1 0.547 ppm2 7.363 CV 1 OR { 6902} (( segid " " and resid 54 and name HN )) ( segid " " and resid 55 and name HD2%) ASSI { 6905} (( segid " " and resid 55 and name HG )) ( segid " " and resid 55 and name HD2%) 2.100 0.600 0.600 peak 6905 weight 0.10000E+01 volume 0.87408E-02 ppm1 0.547 ppm2 1.528 CV 1 OR { 6905} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 20 and name HD1%) ASSI { 6960} ( segid " " and resid 136 and name HG2%) (( segid " " and resid 21 and name HG1 )) 2.900 1.000 1.000 peak 6960 weight 0.10000E+01 volume 0.32586E-02 ppm1 1.455 ppm2 0.731 CV 1 OR { 6960} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 98 and name HG1 )) OR { 6960} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 98 and name HG2 )) ASSI { 6977} (( segid " " and resid 39 and name HA )) ( segid " " and resid 17 and name HD1%) 4.300 2.300 1.700 peak 6977 weight 0.10000E+01 volume 0.64266E-03 ppm1 0.817 ppm2 4.913 CV 1 OR { 6977} (( segid " " and resid 38 and name HA )) ( segid " " and resid 17 and name HD1%) ASSI { 6981} (( segid " " and resid 21 and name HE1 )) ( segid " " and resid 17 and name HD1%) 3.400 1.400 1.400 peak 6981 weight 0.10000E+01 volume 0.14380E-02 ppm1 0.817 ppm2 2.938 CV 1 OR { 6981} (( segid " " and resid 21 and name HE2 )) ( segid " " and resid 17 and name HD1%) OR { 6981} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 17 and name HD1%) OR { 6981} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 17 and name HD1%) OR { 6981} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 17 and name HD1%) ASSI { 6997} (( segid " " and resid 61 and name HA1 )) ( segid " " and resid 55 and name HD2%) 2.400 0.700 0.700 peak 6997 weight 0.10000E+01 volume 0.57788E-02 ppm1 0.547 ppm2 3.960 CV 1 OR { 6997} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 20 and name HD1%) OR { 6997} (( segid " " and resid 104 and name HA )) ( segid " " and resid 20 and name HD1%) ASSI { 7000} (( segid " " and resid 19 and name HG1 )) ( segid " " and resid 20 and name HD1%) 4.300 2.300 1.700 peak 7000 weight 0.10000E+01 volume 0.14668E-02 ppm1 0.549 ppm2 2.360 CV 1 OR { 7000} (( segid " " and resid 62 and name HG1 )) ( segid " " and resid 55 and name HD2%) OR { 7000} (( segid " " and resid 62 and name HG2 )) ( segid " " and resid 55 and name HD2%) ASSI { 7001} (( segid " " and resid 16 and name HB )) ( segid " " and resid 20 and name HD1%) 3.300 1.300 1.300 peak 7001 weight 0.10000E+01 volume 0.16376E-02 ppm1 0.548 ppm2 2.038 CV 1 OR { 7001} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 55 and name HD2%) OR { 7001} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 20 and name HD1%) OR { 7001} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 55 and name HD2%) ASSI { 7002} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 55 and name HD2%) 2.800 1.000 1.000 peak 7002 weight 0.10000E+01 volume 0.56143E-02 ppm1 0.547 ppm2 1.342 CV 1 OR { 7002} (( segid " " and resid 107 and name HG )) ( segid " " and resid 20 and name HD1%) ASSI { 7179} (( segid " " and resid 102 and name HB )) (( segid " " and resid 98 and name HG1 )) 3.400 1.500 1.500 peak 7179 weight 0.10000E+01 volume 0.14660E-02 ppm1 1.461 ppm2 2.124 CV 1 OR { 7179} (( segid " " and resid 102 and name HB )) (( segid " " and resid 98 and name HG2 )) OR { 7179} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 98 and name HG2 )) OR { 7179} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 98 and name HG1 )) OR { 7179} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 98 and name HG1 )) ASSI { 7620} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD1%) 3.700 1.700 1.700 peak 7620 weight 0.10000E+01 volume 0.30974E-02 ppm1 0.610 ppm2 7.900 CV 1 OR { 7620} (( segid " " and resid 72 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 7621} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 100 and name HD1%) 2.900 1.100 1.100 peak 7621 weight 0.10000E+01 volume 0.62283E-02 ppm1 0.610 ppm2 7.667 CV 1 OR { 7621} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 7622} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 100 and name HD1%) 3.600 1.600 1.600 peak 7622 weight 0.10000E+01 volume 0.10562E-02 ppm1 0.609 ppm2 7.492 CV 1 OR { 7622} (( segid " " and resid 76 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 7627} (( segid " " and resid 71 and name HA )) ( segid " " and resid 100 and name HD1%) 3.200 1.300 1.300 peak 7627 weight 0.10000E+01 volume 0.15641E-02 ppm1 0.610 ppm2 4.067 CV 1 OR { 7627} (( segid " " and resid 76 and name HA )) ( segid " " and resid 100 and name HD1%) ASSI { 7628} (( segid " " and resid 97 and name HA )) ( segid " " and resid 100 and name HD1%) 2.900 1.000 1.000 peak 7628 weight 0.10000E+01 volume 0.20679E-02 ppm1 0.610 ppm2 3.961 CV 1 OR { 7628} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 100 and name HD1%) ASSI { 7719} (( segid " " and resid 13 and name HD22)) ( segid " " and resid 41 and name HD1%) 3.300 1.300 1.300 peak 7719 weight 0.10000E+01 volume 0.39706E-02 ppm1 0.803 ppm2 8.124 CV 1 OR { 7719} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 7720} (( segid " " and resid 13 and name HD21)) ( segid " " and resid 41 and name HD1%) 3.100 1.200 1.200 peak 7720 weight 0.10000E+01 volume 0.43346E-02 ppm1 0.803 ppm2 7.798 CV 1 OR { 7720} (( segid " " and resid 133 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 7727} (( segid " " and resid 14 and name HA )) ( segid " " and resid 41 and name HD1%) 3.100 1.200 1.200 peak 7727 weight 0.10000E+01 volume 0.39174E-02 ppm1 0.803 ppm2 4.095 CV 1 OR { 7727} (( segid " " and resid 134 and name HA )) ( segid " " and resid 41 and name HD1%) ASSI { 7906} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 93 and name HG2%) 3.800 1.800 1.800 peak 7906 weight 0.10000E+01 volume 0.90333E-03 ppm1 1.173 ppm2 2.720 CV 1 OR { 7906} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 93 and name HG2%) OR { 7906} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 93 and name HG2%) OR { 7906} (( segid " " and resid 83 and name HB1 )) ( segid " " and resid 93 and name HG2%) ASSI { 7909} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG1%) 2.700 0.900 0.900 peak 7909 weight 0.10000E+01 volume 0.86725E-02 ppm1 1.021 ppm2 8.934 CV 1 OR { 7909} (( segid " " and resid 42 and name HN )) ( segid " " and resid 134 and name HB% ) ASSI { 7916} (( segid " " and resid 125 and name HB )) ( segid " " and resid 134 and name HB% ) 3.500 1.500 1.500 peak 7916 weight 0.10000E+01 volume 0.29807E-02 ppm1 1.019 ppm2 1.703 CV 1 OR { 7916} (( segid " " and resid 17 and name HG )) ( segid " " and resid 134 and name HB% ) OR { 7916} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 134 and name HB% ) OR { 7916} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 134 and name HB% ) ASSI { 7920} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 134 and name HB% ) 2.800 1.000 1.000 peak 7920 weight 0.10000E+01 volume 0.29865E-02 ppm1 1.017 ppm2 1.770 CV 1 OR { 7920} (( segid " " and resid 41 and name HG )) ( segid " " and resid 134 and name HB% ) OR { 7920} (( segid " " and resid 107 and name HB1 )) ( segid " " and resid 134 and name HB% ) ASSI { 7972} (( segid " " and resid 80 and name HN )) ( segid " " and resid 93 and name HG2%) 3.800 1.800 1.800 peak 7972 weight 0.10000E+01 volume 0.12297E-02 ppm1 1.174 ppm2 7.277 CV 1 OR { 7972} (( segid " " and resid 90 and name HD21)) ( segid " " and resid 93 and name HG2%) ASSI { 7974} (( segid " " and resid 133 and name HA )) ( segid " " and resid 134 and name HB% ) 3.700 1.700 1.700 peak 7974 weight 0.10000E+01 volume 0.19727E-02 ppm1 1.002 ppm2 5.274 CV 1 OR { 7974} (( segid " " and resid 127 and name HA )) ( segid " " and resid 134 and name HB% ) ASSI { 8026} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 28 and name HD2%) 4.400 2.400 1.600 peak 8026 weight 0.10000E+01 volume 0.76572E-03 ppm1 0.652 ppm2 7.212 CV 1 OR { 8026} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 28 and name HD2%) ASSI { 8030} (( segid " " and resid 29 and name HA )) ( segid " " and resid 28 and name HD2%) 4.100 2.100 1.900 peak 8030 weight 0.10000E+01 volume 0.15253E-02 ppm1 0.651 ppm2 4.553 CV 1 OR { 8030} (( segid " " and resid 27 and name HA )) ( segid " " and resid 28 and name HD2%) ASSI { 8035} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 28 and name HD2%) 2.800 0.900 0.900 peak 8035 weight 0.10000E+01 volume 0.43684E-02 ppm1 0.650 ppm2 1.892 CV 1 OR { 8035} (( segid " " and resid 36 and name HG1 )) ( segid " " and resid 28 and name HD2%) ASSI { 8042} (( segid " " and resid 108 and name HN )) ( segid " " and resid 107 and name HD1%) 3.000 1.200 1.200 peak 8042 weight 0.10000E+01 volume 0.30889E-02 ppm1 0.530 ppm2 9.203 CV 1 OR { 8042} (( segid " " and resid 109 and name HN )) ( segid " " and resid 107 and name HD1%) ASSI { 8044} (( segid " " and resid 134 and name HN )) ( segid " " and resid 107 and name HD1%) 3.300 1.300 1.300 peak 8044 weight 0.10000E+01 volume 0.23088E-02 ppm1 0.530 ppm2 8.609 CV 1 OR { 8044} (( segid " " and resid 127 and name HN )) ( segid " " and resid 107 and name HD1%) ASSI { 8049} (( segid " " and resid 110 and name HA )) ( segid " " and resid 107 and name HD1%) 3.600 1.600 1.600 peak 8049 weight 0.10000E+01 volume 0.16575E-02 ppm1 0.531 ppm2 5.266 CV 1 OR { 8049} (( segid " " and resid 133 and name HA )) ( segid " " and resid 107 and name HD1%) ASSI { 8052} (( segid " " and resid 105 and name HA )) ( segid " " and resid 107 and name HD1%) 4.100 2.100 1.900 peak 8052 weight 0.10000E+01 volume 0.56544E-03 ppm1 0.530 ppm2 4.336 CV 1 OR { 8052} (( segid " " and resid 108 and name HA )) ( segid " " and resid 107 and name HD1%) ASSI { 8056} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 107 and name HD1%) 4.300 2.300 1.700 peak 8056 weight 0.10000E+01 volume 0.15442E-02 ppm1 0.532 ppm2 2.446 CV 1 OR { 8056} (( segid " " and resid 124 and name HB )) ( segid " " and resid 107 and name HD1%) OR { 8056} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 107 and name HD1%) OR { 8056} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 107 and name HD1%) ASSI { 8104} (( segid " " and resid 96 and name HN )) ( segid " " and resid 93 and name HG2%) 4.000 2.000 2.000 peak 8104 weight 0.10000E+01 volume 0.85988E-03 ppm1 1.172 ppm2 8.720 CV 1 OR { 8104} (( segid " " and resid 86 and name HN )) ( segid " " and resid 93 and name HG2%) OR { 8104} (( segid " " and resid 86 and name HN )) ( segid " " and resid 92 and name HG2%) ASSI { 8144} (( segid " " and resid 93 and name HN )) ( segid " " and resid 85 and name HE% ) 4.600 2.600 1.400 peak 8144 weight 0.10000E+01 volume 0.60030E-03 ppm1 6.594 ppm2 7.700 CV 1 OR { 8144} (( segid " " and resid 79 and name HN )) ( segid " " and resid 85 and name HE% ) ASSI { 8147} (( segid " " and resid 90 and name HA )) ( segid " " and resid 85 and name HE% ) 2.900 1.000 1.000 peak 8147 weight 0.10000E+01 volume 0.64919E-02 ppm1 6.593 ppm2 4.723 CV 1 OR { 8147} (( segid " " and resid 79 and name HA )) ( segid " " and resid 85 and name HE% ) ASSI { 8148} (( segid " " and resid 81 and name HA )) ( segid " " and resid 85 and name HE% ) 3.100 1.200 1.200 peak 8148 weight 0.10000E+01 volume 0.44206E-02 ppm1 6.593 ppm2 4.336 CV 1 OR { 8148} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HE% ) ASSI { 8149} (( segid " " and resid 83 and name HA )) ( segid " " and resid 85 and name HE% ) 4.300 2.300 1.700 peak 8149 weight 0.10000E+01 volume 0.71611E-03 ppm1 6.597 ppm2 4.181 CV 1 OR { 8149} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HE% ) OR { 8149} (( segid " " and resid 93 and name HA )) ( segid " " and resid 85 and name HE% ) ASSI { 8153} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 85 and name HE% ) 4.400 2.400 1.600 peak 8153 weight 0.10000E+01 volume 0.82729E-03 ppm1 6.594 ppm2 1.957 CV 1 OR { 8153} (( segid " " and resid 89 and name HG1 )) ( segid " " and resid 85 and name HE% ) ASSI { 8154} (( segid " " and resid 89 and name HB1 )) ( segid " " and resid 85 and name HE% ) 3.900 1.900 1.900 peak 8154 weight 0.10000E+01 volume 0.18792E-02 ppm1 6.594 ppm2 1.699 CV 1 OR { 8154} (( segid " " and resid 82 and name HG2 )) ( segid " " and resid 85 and name HE% ) ASSI { 8156} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 85 and name HE% ) 3.600 1.600 1.600 peak 8156 weight 0.10000E+01 volume 0.14338E-02 ppm1 6.594 ppm2 0.800 CV 1 OR { 8156} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 85 and name HE% ) ASSI { 8159} (( segid " " and resid 90 and name HD21)) ( segid " " and resid 85 and name HE% ) 3.700 1.700 1.700 peak 8159 weight 0.10000E+01 volume 0.14607E-02 ppm1 6.593 ppm2 7.251 CV 1 OR { 8159} (( segid " " and resid 80 and name HN )) ( segid " " and resid 85 and name HE% ) ASSI { 8204} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HG2%) 2.800 1.000 1.000 peak 8204 weight 0.10000E+01 volume 0.14520E-01 ppm1 1.171 ppm2 7.441 CV 1 OR { 8204} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 93 and name HG2%) ASSI { 8205} (( segid " " and resid 81 and name HD1 )) ( segid " " and resid 93 and name HG2%) 2.500 0.800 0.800 peak 8205 weight 0.10000E+01 volume 0.53268E-02 ppm1 1.171 ppm2 3.876 CV 1 OR { 8205} (( segid " " and resid 89 and name HA )) ( segid " " and resid 92 and name HG2%) ASSI { 8206} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 93 and name HG2%) 3.900 1.900 1.900 peak 8206 weight 0.10000E+01 volume 0.10038E-02 ppm1 1.173 ppm2 2.925 CV 1 OR { 8206} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 92 and name HG2%) ASSI { 8207} (( segid " " and resid 93 and name HB )) ( segid " " and resid 93 and name HG2%) 1.900 0.500 0.500 peak 8207 weight 0.10000E+01 volume 0.20953E-01 ppm1 1.171 ppm2 2.362 CV 1 OR { 8207} (( segid " " and resid 92 and name HB )) ( segid " " and resid 92 and name HG2%) ASSI { 8208} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 93 and name HG2%) 3.400 1.400 1.400 peak 8208 weight 0.10000E+01 volume 0.20224E-02 ppm1 1.169 ppm2 1.966 CV 1 OR { 8208} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 92 and name HG2%) OR { 8208} (( segid " " and resid 89 and name HG1 )) ( segid " " and resid 92 and name HG2%) ASSI { 8209} ( segid " " and resid 91 and name HB% ) ( segid " " and resid 92 and name HG2%) 3.600 1.600 1.600 peak 8209 weight 0.10000E+01 volume 0.54896E-02 ppm1 1.170 ppm2 1.549 CV 1 OR { 8209} ( segid " " and resid 94 and name HB% ) ( segid " " and resid 93 and name HG2%) ASSI { 8281} (( segid " " and resid 13 and name HD21)) ( segid " " and resid 134 and name HB% ) 3.700 1.700 1.700 peak 8281 weight 0.10000E+01 volume 0.23980E-02 ppm1 0.993 ppm2 7.772 CV 1 OR { 8281} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HB% ) OR { 8281} (( segid " " and resid 109 and name HD22)) ( segid " " and resid 102 and name HG1%) ASSI { 8283} (( segid " " and resid 103 and name HG11)) ( segid " " and resid 102 and name HG1%) 3.300 1.300 1.300 peak 8283 weight 0.10000E+01 volume 0.39565E-02 ppm1 0.993 ppm2 1.697 CV 1 OR { 8283} (( segid " " and resid 103 and name HG12)) ( segid " " and resid 102 and name HG1%) OR { 8283} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 102 and name HG1%) OR { 8283} (( segid " " and resid 125 and name HB )) ( segid " " and resid 134 and name HB% ) OR { 8283} (( segid " " and resid 98 and name HD1 )) ( segid " " and resid 102 and name HG1%) OR { 8283} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 140 and name HG1%) OR { 8283} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 134 and name HB% ) OR { 8283} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 140 and name HG1%) ASSI { 8284} (( segid " " and resid 107 and name HG )) ( segid " " and resid 134 and name HB% ) 2.800 1.000 1.000 peak 8284 weight 0.10000E+01 volume 0.12820E-01 ppm1 0.994 ppm2 1.346 CV 1 OR { 8284} (( segid " " and resid 122 and name HB )) ( segid " " and resid 140 and name HG1%) OR { 8284} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 140 and name HG1%) OR { 8284} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 134 and name HB% ) ASSI { 8286} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HG1%) 3.500 1.500 1.500 peak 8286 weight 0.10000E+01 volume 0.30091E-02 ppm1 0.991 ppm2 8.321 CV 1 OR { 8286} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HG1%) ASSI { 8302} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 133 and name HD2%) 4.300 2.300 1.700 peak 8302 weight 0.10000E+01 volume 0.11108E-02 ppm1 0.707 ppm2 2.939 CV 1 OR { 8302} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 17 and name HD2%) OR { 8302} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 17 and name HD2%) OR { 8302} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 17 and name HD2%) ASSI { 8306} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HD2%) 3.500 1.500 1.500 peak 8306 weight 0.10000E+01 volume 0.25873E-02 ppm1 0.698 ppm2 7.808 CV 1 OR { 8306} (( segid " " and resid 133 and name HN )) ( segid " " and resid 133 and name HD2%) ASSI { 8309} (( segid " " and resid 125 and name HA )) ( segid " " and resid 133 and name HD2%) 4.000 2.000 2.000 peak 8309 weight 0.10000E+01 volume 0.13338E-02 ppm1 0.700 ppm2 4.876 CV 1 OR { 8309} (( segid " " and resid 39 and name HA )) ( segid " " and resid 17 and name HD2%) OR { 8309} (( segid " " and resid 38 and name HA )) ( segid " " and resid 17 and name HD2%) OR { 8309} (( segid " " and resid 107 and name HA )) ( segid " " and resid 133 and name HD2%) ASSI { 8313} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 133 and name HD2%) 2.900 1.000 1.000 peak 8313 weight 0.10000E+01 volume 0.92859E-02 ppm1 0.699 ppm2 1.952 CV 1 OR { 8313} (( segid " " and resid 48 and name HG1 )) ( segid " " and resid 133 and name HD2%) OR { 8313} (( segid " " and resid 39 and name HB )) ( segid " " and resid 17 and name HD2%) ASSI { 8315} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 17 and name HD2%) 1.900 0.500 0.500 peak 8315 weight 0.10000E+01 volume 0.22243E-01 ppm1 0.701 ppm2 1.533 CV 1 OR { 8315} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HD2%) OR { 8315} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HD2%) ASSI { 8386} (( segid " " and resid 99 and name HA )) ( segid " " and resid 102 and name HG1%) 3.000 1.100 1.100 peak 8386 weight 0.10000E+01 volume 0.52237E-02 ppm1 0.994 ppm2 3.739 CV 1 OR { 8386} (( segid " " and resid 17 and name HA )) ( segid " " and resid 134 and name HB% ) OR { 8386} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 140 and name HG1%) OR { 8386} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 140 and name HG1%) ASSI { 8392} (( segid " " and resid 42 and name HN )) ( segid " " and resid 133 and name HD2%) 4.000 2.000 2.000 peak 8392 weight 0.10000E+01 volume 0.16432E-02 ppm1 0.696 ppm2 8.936 CV 1 OR { 8392} (( segid " " and resid 44 and name HN )) ( segid " " and resid 133 and name HD2%) ASSI { 8402} (( segid " " and resid 133 and name HB1 )) ( segid " " and resid 133 and name HD2%) 2.700 0.900 0.900 peak 8402 weight 0.10000E+01 volume 0.81143E-02 ppm1 0.692 ppm2 2.174 CV 1 OR { 8402} (( segid " " and resid 18 and name HB2 )) ( segid " " and resid 17 and name HD2%) ASSI { 8460} ( segid " " and resid 96 and name HE% ) ( segid " " and resid 27 and name HD2%) 2.800 1.000 1.000 peak 8460 weight 0.10000E+01 volume 0.71683E-02 ppm1 0.398 ppm2 7.567 CV 1 OR { 8460} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HD2%) ASSI { 8519} (( segid " " and resid 117 and name HA )) (( segid " " and resid 143 and name HB )) 3.600 1.600 1.600 peak 8519 weight 0.10000E+01 volume 0.26295E-02 ppm1 4.217 ppm2 4.383 CV 1 OR { 8519} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB )) ASSI { 8585} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 20 and name HG )) 3.700 1.700 1.700 peak 8585 weight 0.10000E+01 volume 0.31818E-02 ppm1 0.937 ppm2 1.305 CV 1 OR { 8585} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 20 and name HG )) OR { 8585} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 20 and name HG )) ASSI { 8590} (( segid " " and resid 124 and name HB )) ( segid " " and resid 20 and name HD2%) 4.400 2.400 1.600 peak 8590 weight 0.10000E+01 volume 0.89100E-03 ppm1 0.486 ppm2 2.443 CV 1 OR { 8590} (( segid " " and resid 19 and name HG1 )) ( segid " " and resid 20 and name HD2%) OR { 8590} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 20 and name HD2%) ASSI { 8639} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 20 and name HG )) 3.800 1.800 1.800 peak 8639 weight 0.10000E+01 volume 0.34554E-02 ppm1 0.934 ppm2 1.530 CV 1 OR { 8639} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 20 and name HG )) OR { 8639} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 20 and name HG )) OR { 8639} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 20 and name HG )) ASSI { 8647} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 20 and name HD2%) 4.000 2.000 2.000 peak 8647 weight 0.10000E+01 volume 0.19056E-02 ppm1 0.491 ppm2 7.319 CV 1 OR { 8647} (( segid " " and resid 106 and name HN )) ( segid " " and resid 20 and name HD2%) OR { 8647} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 20 and name HD2%) ASSI { 8650} (( segid " " and resid 104 and name HE2 )) ( segid " " and resid 99 and name HD1%) 4.000 2.000 2.000 peak 8650 weight 0.10000E+01 volume 0.73859E-03 ppm1 0.495 ppm2 2.918 CV 1 OR { 8650} (( segid " " and resid 135 and name HA1 )) ( segid " " and resid 20 and name HD2%) OR { 8650} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 20 and name HD2%) ASSI { 8652} (( segid " " and resid 99 and name HG )) ( segid " " and resid 99 and name HD1%) 2.200 0.600 0.600 peak 8652 weight 0.10000E+01 volume 0.92565E-02 ppm1 0.491 ppm2 1.907 CV 1 OR { 8652} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 20 and name HD2%) OR { 8652} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 20 and name HD2%) ASSI { 8653} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 20 and name HD2%) 2.500 0.800 0.800 peak 8653 weight 0.10000E+01 volume 0.16690E-01 ppm1 0.489 ppm2 1.669 CV 1 OR { 8653} (( segid " " and resid 104 and name HD2 )) ( segid " " and resid 20 and name HD2%) OR { 8653} (( segid " " and resid 104 and name HD2 )) ( segid " " and resid 99 and name HD1%) OR { 8653} (( segid " " and resid 103 and name HG11)) ( segid " " and resid 99 and name HD1%) OR { 8653} (( segid " " and resid 103 and name HG12)) ( segid " " and resid 99 and name HD1%) ASSI { 8710} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 35 and name HE% ) 4.400 2.400 1.600 peak 8710 weight 0.10000E+01 volume 0.89261E-03 ppm1 6.693 ppm2 1.811 CV 1 OR { 8710} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 35 and name HE% ) OR { 8710} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 8739} (( segid " " and resid 136 and name HN )) ( segid " " and resid 20 and name HD2%) 2.700 0.900 0.900 peak 8739 weight 0.10000E+01 volume 0.35299E-02 ppm1 0.495 ppm2 7.877 CV 1 OR { 8739} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HD1%) OR { 8739} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD1%) ASSI { 8740} (( segid " " and resid 24 and name HN )) ( segid " " and resid 20 and name HD2%) 3.500 1.600 1.600 peak 8740 weight 0.10000E+01 volume 0.23055E-02 ppm1 0.496 ppm2 7.544 CV 1 OR { 8740} (( segid " " and resid 24 and name HN )) ( segid " " and resid 99 and name HD1%) OR { 8740} (( segid " " and resid 25 and name HN )) ( segid " " and resid 20 and name HD2%) ASSI { 8744} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 20 and name HD2%) 3.200 1.300 1.300 peak 8744 weight 0.10000E+01 volume 0.29571E-02 ppm1 0.497 ppm2 3.914 CV 1 OR { 8744} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 20 and name HD2%) OR { 8744} (( segid " " and resid 101 and name HA )) ( segid " " and resid 20 and name HD2%) ASSI { 8746} ( segid " " and resid 23 and name HB% ) ( segid " " and resid 99 and name HD1%) 2.500 0.800 0.800 peak 8746 weight 0.10000E+01 volume 0.13233E-01 ppm1 0.496 ppm2 1.342 CV 1 OR { 8746} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 99 and name HD1%) OR { 8746} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 99 and name HD1%) OR { 8746} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 20 and name HD2%) OR { 8746} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 20 and name HD2%) ASSI { 8751} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 27 and name HD2%) 4.200 2.200 1.800 peak 8751 weight 0.10000E+01 volume 0.10759E-02 ppm1 0.421 ppm2 7.219 CV 1 OR { 8751} (( segid " " and resid 111 and name HE21)) ( segid " " and resid 54 and name HG1%) ASSI { 8753} ( segid " " and resid 123 and name HD% ) ( segid " " and resid 54 and name HG1%) 4.000 2.000 2.000 peak 8753 weight 0.10000E+01 volume 0.15533E-02 ppm1 0.422 ppm2 6.673 CV 1 OR { 8753} (( segid " " and resid 50 and name HN )) ( segid " " and resid 54 and name HG1%) ASSI { 8756} (( segid " " and resid 26 and name HA1 )) ( segid " " and resid 27 and name HD2%) 3.700 1.700 1.700 peak 8756 weight 0.10000E+01 volume 0.31056E-02 ppm1 0.425 ppm2 3.761 CV 1 OR { 8756} (( segid " " and resid 52 and name HA )) ( segid " " and resid 54 and name HG1%) ASSI { 8760} (( segid " " and resid 54 and name HB )) ( segid " " and resid 54 and name HG1%) 2.300 0.600 0.600 peak 8760 weight 0.10000E+01 volume 0.12815E-01 ppm1 0.421 ppm2 1.710 CV 1 OR { 8760} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 27 and name HD2%) ASSI { 8761} (( segid " " and resid 57 and name HG1 )) ( segid " " and resid 54 and name HG1%) 2.800 1.000 1.000 peak 8761 weight 0.10000E+01 volume 0.61494E-02 ppm1 0.420 ppm2 1.010 CV 1 OR { 8761} ( segid " " and resid 133 and name HD1%) ( segid " " and resid 54 and name HG1%) ASSI { 8762} (( segid " " and resid 125 and name HG11)) ( segid " " and resid 54 and name HG1%) 2.500 0.800 0.800 peak 8762 weight 0.10000E+01 volume 0.58871E-02 ppm1 0.420 ppm2 0.887 CV 1 OR { 8762} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 54 and name HG1%) OR { 8762} ( segid " " and resid 53 and name HG2%) ( segid " " and resid 54 and name HG1%) ASSI { 8764} (( segid " " and resid 124 and name HA )) ( segid " " and resid 54 and name HG1%) 4.000 2.000 2.000 peak 8764 weight 0.10000E+01 volume 0.18648E-02 ppm1 0.417 ppm2 4.733 CV 1 OR { 8764} (( segid " " and resid 68 and name HA )) ( segid " " and resid 54 and name HG1%) OR { 8764} (( segid " " and resid 28 and name HA )) ( segid " " and resid 27 and name HD2%) ASSI { 8796} (( segid " " and resid 68 and name HA )) ( segid " " and resid 113 and name HE% ) 2.900 1.000 1.000 peak 8796 weight 0.10000E+01 volume 0.87239E-02 ppm1 6.556 ppm2 4.726 CV 1 OR { 8796} (( segid " " and resid 124 and name HA )) ( segid " " and resid 113 and name HE% ) ASSI { 8798} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 113 and name HE% ) 4.400 2.500 1.600 peak 8798 weight 0.10000E+01 volume 0.78314E-03 ppm1 6.560 ppm2 3.039 CV 1 OR { 8798} (( segid " " and resid 54 and name HA )) ( segid " " and resid 113 and name HE% ) ASSI { 8801} (( segid " " and resid 54 and name HB )) ( segid " " and resid 113 and name HE% ) 3.000 1.100 1.100 peak 8801 weight 0.10000E+01 volume 0.38826E-02 ppm1 6.560 ppm2 1.675 CV 1 OR { 8801} (( segid " " and resid 68 and name HB )) ( segid " " and resid 113 and name HE% ) OR { 8801} (( segid " " and resid 125 and name HB )) ( segid " " and resid 113 and name HE% ) ASSI { 8802} ( segid " " and resid 133 and name HD1%) ( segid " " and resid 113 and name HE% ) 3.500 1.600 1.600 peak 8802 weight 0.10000E+01 volume 0.13879E-02 ppm1 6.560 ppm2 1.015 CV 1 OR { 8802} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 113 and name HE% ) OR { 8802} ( segid " " and resid 53 and name HD1%) ( segid " " and resid 113 and name HE% ) ASSI { 8805} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 113 and name HE% ) 2.300 0.700 0.700 peak 8805 weight 0.10000E+01 volume 0.59756E-02 ppm1 6.559 ppm2 0.445 CV 1 OR { 8805} ( segid " " and resid 54 and name HG1%) ( segid " " and resid 113 and name HE% ) ASSI { 8834} (( segid " " and resid 92 and name HB )) ( segid " " and resid 92 and name HG1%) 2.000 0.500 0.500 peak 8834 weight 0.10000E+01 volume 0.15189E-01 ppm1 1.346 ppm2 2.363 CV 1 OR { 8834} (( segid " " and resid 88 and name HG1 )) ( segid " " and resid 92 and name HG1%) ASSI { 8835} (( segid " " and resid 95 and name HB2 )) ( segid " " and resid 92 and name HG1%) 4.500 2.500 1.500 peak 8835 weight 0.10000E+01 volume 0.14334E-02 ppm1 1.345 ppm2 2.090 CV 1 OR { 8835} (( segid " " and resid 88 and name HB2 )) ( segid " " and resid 92 and name HG1%) ASSI { 8840} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 92 and name HG1%) 4.500 2.500 1.500 peak 8840 weight 0.10000E+01 volume 0.17681E-02 ppm1 1.346 ppm2 0.818 CV 1 OR { 8840} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 92 and name HG1%) ASSI { 8850} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HD1%) 3.300 1.300 1.300 peak 8850 weight 0.10000E+01 volume 0.33223E-02 ppm1 0.583 ppm2 8.204 CV 1 OR { 8850} (( segid " " and resid 68 and name HN )) ( segid " " and resid 55 and name HD1%) ASSI { 8852} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HD1%) 3.900 1.900 1.900 peak 8852 weight 0.10000E+01 volume 0.22116E-02 ppm1 0.584 ppm2 7.637 CV 1 OR { 8852} (( segid " " and resid 60 and name HN )) ( segid " " and resid 55 and name HD1%) ASSI { 8853} (( segid " " and resid 54 and name HN )) ( segid " " and resid 55 and name HD1%) 4.000 2.000 2.000 peak 8853 weight 0.10000E+01 volume 0.13398E-02 ppm1 0.584 ppm2 7.354 CV 1 OR { 8853} (( segid " " and resid 64 and name HN )) ( segid " " and resid 55 and name HD1%) ASSI { 8902} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG2%) 2.500 0.800 0.800 peak 8902 weight 0.10000E+01 volume 0.75819E-02 ppm1 0.903 ppm2 4.905 CV 1 OR { 8902} (( segid " " and resid 135 and name HA2 )) ( segid " " and resid 39 and name HG2%) OR { 8902} (( segid " " and resid 121 and name HA )) ( segid " " and resid 140 and name HG2%) OR { 8902} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HG2%) ASSI { 8903} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 140 and name HG2%) 4.700 2.700 1.300 peak 8903 weight 0.10000E+01 volume 0.93817E-03 ppm1 0.907 ppm2 4.034 CV 1 OR { 8903} (( segid " " and resid 14 and name HA )) ( segid " " and resid 39 and name HG2%) ASSI { 8905} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 39 and name HG2%) 2.900 1.000 1.000 peak 8905 weight 0.10000E+01 volume 0.49473E-02 ppm1 0.903 ppm2 1.706 CV 1 OR { 8905} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 140 and name HG2%) OR { 8905} (( segid " " and resid 17 and name HG )) ( segid " " and resid 39 and name HG2%) OR { 8905} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 140 and name HG2%) ASSI { 8932} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 123 and name HE% ) 3.200 1.300 1.300 peak 8932 weight 0.10000E+01 volume 0.38127E-02 ppm1 6.523 ppm2 2.761 CV 1 OR { 8932} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 123 and name HE% ) ASSI { 8953} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG2%) 2.400 0.700 0.700 peak 8953 weight 0.10000E+01 volume 0.55334E-02 ppm1 0.903 ppm2 8.211 CV 1 OR { 8953} (( segid " " and resid 122 and name HN )) ( segid " " and resid 140 and name HG2%) ASSI { 8954} (( segid " " and resid 136 and name HN )) ( segid " " and resid 39 and name HG2%) 4.400 2.400 1.600 peak 8954 weight 0.10000E+01 volume 0.98472E-03 ppm1 0.902 ppm2 7.840 CV 1 OR { 8954} (( segid " " and resid 18 and name HN )) ( segid " " and resid 39 and name HG2%) OR { 8954} (( segid " " and resid 33 and name HN )) ( segid " " and resid 140 and name HG2%) OR { 8954} (( segid " " and resid 16 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 8958} (( segid " " and resid 135 and name HA1 )) ( segid " " and resid 39 and name HG2%) 4.000 2.000 2.000 peak 8958 weight 0.10000E+01 volume 0.15842E-02 ppm1 0.903 ppm2 2.941 CV 1 OR { 8958} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 21 and name HE1 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 21 and name HE2 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 39 and name HG2%) OR { 8958} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 39 and name HG2%) ASSI { 9032} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA1 )) 2.800 1.000 1.000 peak 9032 weight 0.10000E+01 volume 0.48278E-02 ppm1 3.908 ppm2 7.624 CV 1 OR { 9032} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA1 )) ASSI { 9035} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA2 )) 2.500 0.800 0.800 peak 9035 weight 0.10000E+01 volume 0.49414E-02 ppm1 3.743 ppm2 7.622 CV 1 OR { 9035} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA2 )) ASSI { 9076} (( segid " " and resid 89 and name HA )) ( segid " " and resid 92 and name HG1%) 4.300 2.300 1.700 peak 9076 weight 0.10000E+01 volume 0.97164E-03 ppm1 1.347 ppm2 3.888 CV 1 OR { 9076} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 12 and name HG2%) ASSI { 9159} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB )) 3.500 1.500 1.500 peak 9159 weight 0.10000E+01 volume 0.13440E-02 ppm1 4.177 ppm2 8.241 CV 1 OR { 9159} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB )) ASSI { 9233} ( segid " " and resid 93 and name HG1%) ( segid " " and resid 92 and name HG1%) 4.100 2.100 1.900 peak 9233 weight 0.10000E+01 volume 0.13809E-02 ppm1 1.351 ppm2 0.883 CV 1 OR { 9233} ( segid " " and resid 41 and name HD2%) ( segid " " and resid 12 and name HG2%) OR { 9233} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 12 and name HG2%) ASSI { 9242} (( segid " " and resid 96 and name HA )) ( segid " " and resid 79 and name HG2%) 4.000 2.000 2.000 peak 9242 weight 0.10000E+01 volume 0.29208E-02 ppm1 1.274 ppm2 4.107 CV 1 OR { 9242} (( segid " " and resid 76 and name HA )) ( segid " " and resid 79 and name HG2%) ASSI { 9265} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 141 and name HG2%) 3.300 1.400 1.400 peak 9265 weight 0.10000E+01 volume 0.58162E-02 ppm1 1.016 ppm2 2.193 CV 1 OR { 9265} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 141 and name HG2%) ASSI { 9266} (( segid " " and resid 141 and name HB )) ( segid " " and resid 141 and name HG2%) 2.100 0.500 0.500 peak 9266 weight 0.10000E+01 volume 0.14117E-01 ppm1 1.017 ppm2 1.798 CV 1 OR { 9266} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 141 and name HG2%) ASSI { 9273} ( segid " " and resid 140 and name HG1%) ( segid " " and resid 122 and name HG2%) 4.000 2.000 2.000 peak 9273 weight 0.10000E+01 volume 0.10548E-02 ppm1 0.173 ppm2 1.031 CV 1 OR { 9273} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 122 and name HG2%) ASSI { 9283} (( segid " " and resid 27 and name HA )) (( segid " " and resid 26 and name HA2 )) 3.500 1.500 1.500 peak 9283 weight 0.10000E+01 volume 0.16621E-02 ppm1 4.141 ppm2 4.536 CV 1 OR { 9283} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HA2 )) ASSI { 9286} (( segid " " and resid 27 and name HA )) (( segid " " and resid 26 and name HA1 )) 3.700 1.700 1.700 peak 9286 weight 0.10000E+01 volume 0.19512E-02 ppm1 3.741 ppm2 4.537 CV 1 OR { 9286} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HA2 )) OR { 9286} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HA1 )) ASSI { 9340} (( segid " " and resid 90 and name HA )) ( segid " " and resid 93 and name HG1%) 2.400 0.700 0.700 peak 9340 weight 0.10000E+01 volume 0.73055E-02 ppm1 0.827 ppm2 4.703 CV 1 OR { 9340} (( segid " " and resid 79 and name HA )) ( segid " " and resid 93 and name HG1%) ASSI { 9343} (( segid " " and resid 81 and name HD1 )) ( segid " " and resid 93 and name HG1%) 2.900 1.100 1.100 peak 9343 weight 0.10000E+01 volume 0.40715E-02 ppm1 0.828 ppm2 3.905 CV 1 OR { 9343} (( segid " " and resid 89 and name HA )) ( segid " " and resid 93 and name HG1%) ASSI { 9433} (( segid " " and resid 69 and name HN )) ( segid " " and resid 122 and name HG1%) 4.700 2.700 1.300 peak 9433 weight 0.10000E+01 volume 0.84782E-03 ppm1 0.571 ppm2 9.178 CV 1 OR { 9433} (( segid " " and resid 120 and name HN )) ( segid " " and resid 122 and name HG1%) ASSI { 9434} (( segid " " and resid 123 and name HN )) ( segid " " and resid 122 and name HG1%) 3.300 1.400 1.400 peak 9434 weight 0.10000E+01 volume 0.26090E-02 ppm1 0.571 ppm2 9.002 CV 1 OR { 9434} (( segid " " and resid 114 and name HN )) ( segid " " and resid 122 and name HG1%) ASSI { 9436} (( segid " " and resid 139 and name HN )) ( segid " " and resid 122 and name HG1%) 4.100 2.100 1.900 peak 9436 weight 0.10000E+01 volume 0.10228E-02 ppm1 0.571 ppm2 8.511 CV 1 OR { 9436} (( segid " " and resid 121 and name HN )) ( segid " " and resid 122 and name HG1%) ASSI { 9443} (( segid " " and resid 122 and name HA )) ( segid " " and resid 122 and name HG1%) 2.300 0.600 0.600 peak 9443 weight 0.10000E+01 volume 0.12549E-01 ppm1 0.572 ppm2 4.836 CV 1 OR { 9443} (( segid " " and resid 114 and name HA )) ( segid " " and resid 122 and name HG1%) ASSI { 9444} (( segid " " and resid 140 and name HA )) ( segid " " and resid 122 and name HG1%) 4.900 3.000 1.100 peak 9444 weight 0.10000E+01 volume 0.57509E-03 ppm1 0.573 ppm2 4.232 CV 1 OR { 9444} (( segid " " and resid 74 and name HA )) ( segid " " and resid 122 and name HG1%) ASSI { 9470} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 122 and name HG2%) 4.000 2.000 2.000 peak 9470 weight 0.10000E+01 volume 0.93399E-03 ppm1 0.139 ppm2 2.816 CV 1 OR { 9470} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 122 and name HG2%) OR { 9470} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 122 and name HG2%) ASSI { 9528} (( segid " " and resid 117 and name HA )) ( segid " " and resid 118 and name HG2%) 3.400 1.400 1.400 peak 9528 weight 0.10000E+01 volume 0.30042E-02 ppm1 0.962 ppm2 4.349 CV 1 OR { 9528} (( segid " " and resid 67 and name HA )) ( segid " " and resid 69 and name HG2%) OR { 9528} (( segid " " and resid 117 and name HA )) ( segid " " and resid 118 and name HG1%) ASSI { 9532} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 118 and name HG1%) 2.700 0.900 0.900 peak 9532 weight 0.10000E+01 volume 0.10506E-01 ppm1 0.959 ppm2 2.199 CV 1 OR { 9532} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 118 and name HG2%) OR { 9532} (( segid " " and resid 117 and name HG2 )) ( segid " " and resid 118 and name HG1%) ASSI { 9549} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 112 and name HG2%) 3.000 1.100 1.100 peak 9549 weight 0.10000E+01 volume 0.41311E-02 ppm1 0.629 ppm2 3.044 CV 1 OR { 9549} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 112 and name HG2%) ASSI { 9556} (( segid " " and resid 74 and name HN )) ( segid " " and resid 112 and name HG2%) 3.500 1.500 1.500 peak 9556 weight 0.10000E+01 volume 0.19954E-02 ppm1 0.626 ppm2 8.203 CV 1 OR { 9556} (( segid " " and resid 70 and name HN )) ( segid " " and resid 112 and name HG2%) ASSI { 9560} (( segid " " and resid 56 and name HN )) ( segid " " and resid 54 and name HG2%) 4.400 2.400 1.600 peak 9560 weight 0.10000E+01 volume 0.62042E-03 ppm1 0.426 ppm2 7.652 CV 1 OR { 9560} (( segid " " and resid 59 and name HN )) ( segid " " and resid 54 and name HG2%) ASSI { 9561} (( segid " " and resid 57 and name HG1 )) ( segid " " and resid 54 and name HG2%) 3.700 1.700 1.700 peak 9561 weight 0.10000E+01 volume 0.13035E-02 ppm1 0.422 ppm2 0.978 CV 1 OR { 9561} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 54 and name HG2%) ASSI { 9632} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG2%) 3.000 1.100 1.100 peak 9632 weight 0.10000E+01 volume 0.81639E-02 ppm1 0.972 ppm2 8.212 CV 1 OR { 9632} (( segid " " and resid 74 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 9639} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 69 and name HG2%) 2.400 0.700 0.700 peak 9639 weight 0.10000E+01 volume 0.53227E-02 ppm1 0.974 ppm2 2.871 CV 1 OR { 9639} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 69 and name HG2%) ASSI { 9640} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG2%) 2.000 0.500 0.500 peak 9640 weight 0.10000E+01 volume 0.14451E-01 ppm1 0.969 ppm2 1.980 CV 1 OR { 9640} (( segid " " and resid 117 and name HB1 )) ( segid " " and resid 118 and name HG1%) ASSI { 9641} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 69 and name HG2%) 3.000 1.100 1.100 peak 9641 weight 0.10000E+01 volume 0.36412E-02 ppm1 0.974 ppm2 1.626 CV 1 OR { 9641} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 69 and name HG2%) OR { 9641} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 69 and name HG2%) OR { 9641} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 69 and name HG2%) ASSI { 9645} (( segid " " and resid 68 and name HA )) ( segid " " and resid 69 and name HG2%) 3.200 1.300 1.300 peak 9645 weight 0.10000E+01 volume 0.41700E-02 ppm1 0.966 ppm2 4.715 CV 1 OR { 9645} (( segid " " and resid 143 and name HA )) ( segid " " and resid 118 and name HG1%) ASSI { 9649} (( segid " " and resid 58 and name HN )) ( segid " " and resid 54 and name HG2%) 4.200 2.200 1.800 peak 9649 weight 0.10000E+01 volume 0.91429E-03 ppm1 0.427 ppm2 7.254 CV 1 OR { 9649} (( segid " " and resid 56 and name HE21)) ( segid " " and resid 54 and name HG2%) ASSI { 9726} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 135 and name HA2 )) 4.100 2.100 1.900 peak 9726 weight 0.10000E+01 volume 0.12156E-02 ppm1 4.903 ppm2 0.834 CV 1 OR { 9726} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 135 and name HA2 )) OR { 9726} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 135 and name HA2 )) OR { 9726} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 135 and name HA2 )) ASSI { 9756} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 135 and name HA1 )) 3.400 1.400 1.400 peak 9756 weight 0.10000E+01 volume 0.13968E-02 ppm1 2.903 ppm2 0.861 CV 1 OR { 9756} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 135 and name HA1 )) OR { 9756} (( segid " " and resid 136 and name HG11)) (( segid " " and resid 135 and name HA1 )) OR { 9756} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 135 and name HA1 )) OR { 9756} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 135 and name HA1 )) ASSI { 9757} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 135 and name HA1 )) 3.400 1.400 1.400 peak 9757 weight 0.10000E+01 volume 0.32932E-02 ppm1 2.904 ppm2 0.576 CV 1 OR { 9757} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 135 and name HA1 )) ASSI { 9833} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 141 and name HG1%) 3.200 1.300 1.300 peak 9833 weight 0.10000E+01 volume 0.31854E-02 ppm1 0.915 ppm2 2.025 CV 1 OR { 9833} (( segid " " and resid 119 and name HG1 )) ( segid " " and resid 118 and name HG1%) OR { 9833} (( segid " " and resid 119 and name HG1 )) ( segid " " and resid 141 and name HG1%) OR { 9833} (( segid " " and resid 117 and name HB1 )) ( segid " " and resid 118 and name HG1%) ASSI { 9856} (( segid " " and resid 123 and name HN )) ( segid " " and resid 54 and name HG2%) 3.800 1.800 1.800 peak 9856 weight 0.10000E+01 volume 0.10951E-02 ppm1 0.455 ppm2 9.005 CV 1 OR { 9856} (( segid " " and resid 114 and name HN )) ( segid " " and resid 54 and name HG2%) ASSI { 9860} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 68 and name HG1%) 2.200 0.600 0.600 peak 9860 weight 0.10000E+01 volume 0.91667E-02 ppm1 0.453 ppm2 6.965 CV 1 OR { 9860} ( segid " " and resid 113 and name HD% ) ( segid " " and resid 54 and name HG2%) ASSI { 9861} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 68 and name HG1%) 2.300 0.700 0.700 peak 9861 weight 0.10000E+01 volume 0.53683E-02 ppm1 0.453 ppm2 6.560 CV 1 OR { 9861} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 54 and name HG2%) ASSI { 9940} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 141 and name HG1%) 3.200 1.300 1.300 peak 9940 weight 0.10000E+01 volume 0.65313E-02 ppm1 0.912 ppm2 2.191 CV 1 OR { 9940} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 141 and name HG1%) ASSI { 9941} (( segid " " and resid 141 and name HB )) ( segid " " and resid 141 and name HG1%) 2.000 0.500 0.500 peak 9941 weight 0.10000E+01 volume 0.20912E-01 ppm1 0.912 ppm2 1.807 CV 1 OR { 9941} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 141 and name HG1%) ASSI { 9949} (( segid " " and resid 136 and name HN )) ( segid " " and resid 124 and name HG1%) 3.600 1.600 1.600 peak 9949 weight 0.10000E+01 volume 0.17255E-02 ppm1 0.830 ppm2 7.852 CV 1 OR { 9949} (( segid " " and resid 72 and name HN )) ( segid " " and resid 124 and name HG1%) ASSI { 9953} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG1%) 2.600 0.900 0.900 peak 9953 weight 0.10000E+01 volume 0.81836E-02 ppm1 0.830 ppm2 4.689 CV 1 OR { 9953} (( segid " " and resid 123 and name HA )) ( segid " " and resid 124 and name HG1%) ASSI {10005} (( segid " " and resid 127 and name HG1 )) (( segid " " and resid 131 and name HA1 )) 3.900 1.900 1.900 peak 10005 weight 0.10000E+01 volume 0.79172E-03 ppm1 3.912 ppm2 2.145 CV 1 OR {10005} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 61 and name HA1 )) ASSI {10054} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 131 and name HA2 )) 4.300 2.300 1.700 peak 10054 weight 0.10000E+01 volume 0.63759E-03 ppm1 4.311 ppm2 1.442 CV 1 OR {10054} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HA2 )) ASSI {10082} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 138 and name HB )) 2.900 1.100 1.100 peak 10082 weight 0.10000E+01 volume 0.20875E-02 ppm1 3.810 ppm2 7.321 CV 1 OR {10082} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 138 and name HB )) ASSI {10083} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 138 and name HB )) 3.600 1.600 1.600 peak 10083 weight 0.10000E+01 volume 0.98521E-03 ppm1 3.810 ppm2 7.157 CV 1 OR {10083} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 138 and name HB )) ASSI {10087} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 138 and name HB )) 4.000 2.000 2.000 peak 10087 weight 0.10000E+01 volume 0.74844E-03 ppm1 3.810 ppm2 2.952 CV 1 OR {10087} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 138 and name HB )) OR {10087} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 138 and name HB )) OR {10087} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 138 and name HB )) ASSI {10116} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 4.300 2.400 1.700 peak 10116 weight 0.10000E+01 volume 0.14746E-02 ppm1 0.493 ppm2 7.628 CV 1 OR {10116} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI {10124} (( segid " " and resid 55 and name HA )) ( segid " " and resid 58 and name HG2%) 4.400 2.400 1.600 peak 10124 weight 0.10000E+01 volume 0.13208E-02 ppm1 0.492 ppm2 3.604 CV 1 OR {10124} (( segid " " and resid 55 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI {10125} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 68 and name HG1%) 4.300 2.400 1.700 peak 10125 weight 0.10000E+01 volume 0.17945E-02 ppm1 0.492 ppm2 3.032 CV 1 OR {10125} (( segid " " and resid 54 and name HA )) ( segid " " and resid 58 and name HG2%) OR {10125} (( segid " " and resid 54 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI {10133} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 61 and name HA1 )) 3.800 1.800 1.800 peak 10133 weight 0.10000E+01 volume 0.62236E-03 ppm1 3.906 ppm2 1.982 CV 1 OR {10133} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 131 and name HA1 )) ASSI {10199} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 131 and name HA1 )) 3.700 1.700 1.700 peak 10199 weight 0.10000E+01 volume 0.99711E-03 ppm1 3.905 ppm2 1.439 CV 1 OR {10199} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 131 and name HA1 )) ASSI {10268} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HA2 )) 4.400 2.400 1.600 peak 10268 weight 0.10000E+01 volume 0.73452E-03 ppm1 4.134 ppm2 4.470 CV 1 OR {10268} (( segid " " and resid 65 and name HA )) (( segid " " and resid 61 and name HA2 )) ASSI {10289} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 126 and name HA2 )) 3.600 1.600 1.600 peak 10289 weight 0.10000E+01 volume 0.16248E-02 ppm1 3.407 ppm2 1.847 CV 1 OR {10289} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 126 and name HA2 )) OR {10289} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 126 and name HA2 )) ASSI {10290} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 126 and name HA2 )) 4.700 2.800 1.300 peak 10290 weight 0.10000E+01 volume 0.92911E-03 ppm1 3.405 ppm2 1.534 CV 1 OR {10290} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 126 and name HA2 )) ASSI {10291} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 126 and name HA2 )) 3.600 1.600 1.600 peak 10291 weight 0.10000E+01 volume 0.21076E-02 ppm1 3.407 ppm2 0.792 CV 1 OR {10291} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 126 and name HA2 )) ASSI {10312} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 118 and name HA )) 4.200 2.200 1.800 peak 10312 weight 0.10000E+01 volume 0.11367E-02 ppm1 3.616 ppm2 2.197 CV 1 OR {10312} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 118 and name HA )) OR {10312} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 118 and name HA )) ASSI {10313} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 118 and name HA )) 4.400 2.400 1.600 peak 10313 weight 0.10000E+01 volume 0.96292E-03 ppm1 3.614 ppm2 2.008 CV 1 OR {10313} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 118 and name HA )) OR {10313} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 118 and name HA )) ASSI {10314} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HA )) 4.300 2.300 1.700 peak 10314 weight 0.10000E+01 volume 0.10080E-02 ppm1 3.614 ppm2 1.863 CV 1 OR {10314} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 118 and name HA )) ASSI {10325} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG1%) 3.400 1.500 1.500 peak 10325 weight 0.10000E+01 volume 0.24830E-02 ppm1 0.820 ppm2 8.214 CV 1 OR {10325} (( segid " " and resid 105 and name HN )) ( segid " " and resid 39 and name HG1%) ASSI {10326} (( segid " " and resid 136 and name HN )) ( segid " " and resid 39 and name HG1%) 4.300 2.300 1.700 peak 10326 weight 0.10000E+01 volume 0.78061E-03 ppm1 0.820 ppm2 7.831 CV 1 OR {10326} (( segid " " and resid 19 and name HN )) ( segid " " and resid 39 and name HG1%) OR {10326} (( segid " " and resid 23 and name HN )) ( segid " " and resid 39 and name HG1%) ASSI {10327} (( segid " " and resid 24 and name HN )) ( segid " " and resid 39 and name HG1%) 4.600 2.700 1.400 peak 10327 weight 0.10000E+01 volume 0.97638E-03 ppm1 0.821 ppm2 7.546 CV 1 OR {10327} (( segid " " and resid 25 and name HN )) ( segid " " and resid 39 and name HG1%) ASSI {10329} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG1%) 2.600 0.800 0.800 peak 10329 weight 0.10000E+01 volume 0.84060E-02 ppm1 0.820 ppm2 4.897 CV 1 OR {10329} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HG1%) ASSI {10330} (( segid " " and resid 104 and name HA )) ( segid " " and resid 39 and name HG1%) 4.800 2.900 1.200 peak 10330 weight 0.10000E+01 volume 0.86295E-03 ppm1 0.818 ppm2 3.975 CV 1 OR {10330} (( segid " " and resid 19 and name HA )) ( segid " " and resid 39 and name HG1%) ASSI {10332} (( segid " " and resid 17 and name HA )) ( segid " " and resid 39 and name HG1%) 2.300 0.700 0.700 peak 10332 weight 0.10000E+01 volume 0.11478E-01 ppm1 0.819 ppm2 3.740 CV 1 OR {10332} (( segid " " and resid 21 and name HA )) ( segid " " and resid 39 and name HG1%) ASSI {10334} (( segid " " and resid 21 and name HE1 )) ( segid " " and resid 39 and name HG1%) 4.100 2.100 1.900 peak 10334 weight 0.10000E+01 volume 0.19894E-02 ppm1 0.821 ppm2 2.951 CV 1 OR {10334} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 39 and name HG1%) OR {10334} (( segid " " and resid 21 and name HE2 )) ( segid " " and resid 39 and name HG1%) OR {10334} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 39 and name HG1%) OR {10334} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 39 and name HG1%) ASSI {10335} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG1%) 1.900 0.400 0.400 peak 10335 weight 0.10000E+01 volume 0.18955E-01 ppm1 0.820 ppm2 1.944 CV 1 OR {10335} (( segid " " and resid 21 and name HB2 )) ( segid " " and resid 39 and name HG1%) ASSI {10336} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 39 and name HG1%) 3.000 1.100 1.100 peak 10336 weight 0.10000E+01 volume 0.33185E-02 ppm1 0.821 ppm2 1.693 CV 1 OR {10336} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 39 and name HG1%) OR {10336} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 39 and name HG1%) ASSI {10337} (( segid " " and resid 21 and name HG1 )) ( segid " " and resid 39 and name HG1%) 2.400 0.700 0.700 peak 10337 weight 0.10000E+01 volume 0.42258E-02 ppm1 0.819 ppm2 1.487 CV 1 OR {10337} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 39 and name HG1%) OR {10337} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 39 and name HG1%) ASSI {10395} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HG1%) 3.300 1.400 1.400 peak 10395 weight 0.10000E+01 volume 0.19191E-02 ppm1 -0.226 ppm2 9.002 CV 1 OR {10395} (( segid " " and resid 123 and name HN )) ( segid " " and resid 112 and name HG1%) ASSI {10397} (( segid " " and resid 74 and name HN )) ( segid " " and resid 112 and name HG1%) 4.500 2.600 1.500 peak 10397 weight 0.10000E+01 volume 0.78855E-03 ppm1 -0.226 ppm2 8.204 CV 1 OR {10397} (( segid " " and resid 70 and name HN )) ( segid " " and resid 112 and name HG1%) ASSI {10403} (( segid " " and resid 112 and name HA )) ( segid " " and resid 112 and name HG1%) 2.300 0.600 0.600 peak 10403 weight 0.10000E+01 volume 0.98577E-02 ppm1 -0.226 ppm2 4.838 CV 1 OR {10403} (( segid " " and resid 113 and name HA )) ( segid " " and resid 112 and name HG1%) OR {10403} (( segid " " and resid 122 and name HA )) ( segid " " and resid 112 and name HG1%) ASSI {10407} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 112 and name HG1%) 2.900 1.100 1.100 peak 10407 weight 0.10000E+01 volume 0.20007E-02 ppm1 -0.227 ppm2 2.844 CV 1 OR {10407} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 112 and name HG1%) ASSI {10409} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 112 and name HG1%) 3.800 1.800 1.800 peak 10409 weight 0.10000E+01 volume 0.18329E-02 ppm1 -0.226 ppm2 1.648 CV 1 OR {10409} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 112 and name HG1%) OR {10409} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 112 and name HG1%) OR {10409} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 112 and name HG1%) ASSI {10410} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 112 and name HG1%) 2.800 1.000 1.000 peak 10410 weight 0.10000E+01 volume 0.30938E-02 ppm1 -0.226 ppm2 1.324 CV 1 OR {10410} (( segid " " and resid 122 and name HB )) ( segid " " and resid 112 and name HG1%) OR {10410} (( segid " " and resid 114 and name HG1 )) ( segid " " and resid 112 and name HG1%) ASSI {10413} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 112 and name HG1%) 1.900 0.500 0.500 peak 10413 weight 0.10000E+01 volume 0.17621E-01 ppm1 -0.226 ppm2 0.622 CV 1 OR {10413} ( segid " " and resid 122 and name HG1%) ( segid " " and resid 112 and name HG1%) ASSI {10624} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HD2 )) 3.300 1.400 1.400 peak 10624 weight 0.10000E+01 volume 0.15573E-02 ppm1 3.126 ppm2 0.592 CV 1 OR {10624} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HD2 )) ASSI {10627} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HD1 )) 4.900 2.900 1.100 peak 10627 weight 0.10000E+01 volume 0.62313E-03 ppm1 2.832 ppm2 4.876 CV 1 OR {10627} (( segid " " and resid 122 and name HA )) (( segid " " and resid 114 and name HD1 )) ASSI {10643} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 115 and name HB2 )) 4.000 2.000 2.000 peak 10643 weight 0.10000E+01 volume 0.93430E-03 ppm1 1.636 ppm2 4.871 CV 1 OR {10643} (( segid " " and resid 120 and name HA )) (( segid " " and resid 115 and name HB2 )) OR {10643} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HB2 )) OR {10643} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 115 and name HB1 )) OR {10643} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HB1 )) ASSI {10645} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 115 and name HB2 )) 3.900 1.900 1.900 peak 10645 weight 0.10000E+01 volume 0.12840E-02 ppm1 1.637 ppm2 2.542 CV 1 OR {10645} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 115 and name HB1 )) OR {10645} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 115 and name HB2 )) ASSI {10719} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 124 and name HG2%) 4.200 2.200 1.800 peak 10719 weight 0.10000E+01 volume 0.11551E-02 ppm1 0.840 ppm2 7.148 CV 1 OR {10719} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 124 and name HG2%) OR {10719} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 39 and name HG1%) OR {10719} (( segid " " and resid 42 and name HD1 )) ( segid " " and resid 39 and name HG1%) ASSI {10720} ( segid " " and resid 74 and name HD% ) ( segid " " and resid 124 and name HG2%) 4.300 2.300 1.700 peak 10720 weight 0.10000E+01 volume 0.17350E-02 ppm1 0.840 ppm2 6.523 CV 1 OR {10720} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 124 and name HG2%) ASSI {10721} (( segid " " and resid 21 and name HG1 )) ( segid " " and resid 39 and name HG1%) 2.600 0.800 0.800 peak 10721 weight 0.10000E+01 volume 0.27145E-02 ppm1 0.838 ppm2 1.441 CV 1 OR {10721} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 124 and name HG2%) OR {10721} (( segid " " and resid 110 and name HG1 )) ( segid " " and resid 124 and name HG2%) ASSI {10730} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HD1 )) 3.800 1.800 1.800 peak 10730 weight 0.10000E+01 volume 0.13146E-02 ppm1 2.836 ppm2 0.587 CV 1 OR {10730} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 114 and name HD1 )) OR {10730} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HD1 )) ASSI {10738} (( segid " " and resid 29 and name HA )) (( segid " " and resid 28 and name HB1 )) 4.600 2.700 1.400 peak 10738 weight 0.10000E+01 volume 0.68998E-03 ppm1 1.714 ppm2 4.533 CV 1 OR {10738} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI {10795} (( segid " " and resid 136 and name HN )) ( segid " " and resid 124 and name HG2%) 4.000 2.000 2.000 peak 10795 weight 0.10000E+01 volume 0.13683E-02 ppm1 0.839 ppm2 7.852 CV 1 OR {10795} (( segid " " and resid 72 and name HN )) ( segid " " and resid 124 and name HG2%) ASSI {10797} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 124 and name HG2%) 3.300 1.400 1.400 peak 10797 weight 0.10000E+01 volume 0.38877E-02 ppm1 0.839 ppm2 7.310 CV 1 OR {10797} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 39 and name HG1%) OR {10797} (( segid " " and resid 111 and name HE21)) ( segid " " and resid 124 and name HG2%) ASSI {10808} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 124 and name HG2%) 5.400 3.600 0.600 peak 10808 weight 0.10000E+01 volume 0.61412E-03 ppm1 0.826 ppm2 3.057 CV 1 OR {10808} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 124 and name HG2%) ASSI {10809} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 124 and name HG2%) 5.100 3.300 0.900 peak 10809 weight 0.10000E+01 volume 0.78169E-03 ppm1 0.826 ppm2 2.851 CV 1 OR {10809} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 124 and name HG2%) ASSI {10817} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 69 and name HG1%) 3.300 1.400 1.400 peak 10817 weight 0.10000E+01 volume 0.36287E-02 ppm1 0.775 ppm2 1.328 CV 1 OR {10817} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 69 and name HG1%) OR {10817} (( segid " " and resid 114 and name HG1 )) ( segid " " and resid 69 and name HG1%) ASSI {10838} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 121 and name HB2 )) 4.200 2.200 1.800 peak 10838 weight 0.10000E+01 volume 0.56598E-03 ppm1 2.756 ppm2 0.981 CV 1 OR {10838} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 121 and name HB2 )) OR {10838} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 121 and name HB2 )) ASSI {10846} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 121 and name HB1 )) 4.100 2.100 1.900 peak 10846 weight 0.10000E+01 volume 0.12916E-02 ppm1 2.543 ppm2 1.632 CV 1 OR {10846} (( segid " " and resid 115 and name HG )) (( segid " " and resid 121 and name HB1 )) OR {10846} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 121 and name HB1 )) OR {10846} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 121 and name HB1 )) ASSI {10886} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG1%) 2.600 0.900 0.900 peak 10886 weight 0.10000E+01 volume 0.46793E-02 ppm1 0.776 ppm2 8.203 CV 1 OR {10886} (( segid " " and resid 74 and name HN )) ( segid " " and resid 69 and name HG1%) ASSI {10889} (( segid " " and resid 74 and name HA )) ( segid " " and resid 69 and name HG1%) 3.600 1.600 1.600 peak 10889 weight 0.10000E+01 volume 0.18776E-02 ppm1 0.775 ppm2 4.236 CV 1 OR {10889} (( segid " " and resid 73 and name HA )) ( segid " " and resid 69 and name HG1%) ASSI {10892} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 69 and name HG1%) 3.000 1.200 1.200 peak 10892 weight 0.10000E+01 volume 0.62352E-02 ppm1 0.776 ppm2 2.847 CV 1 OR {10892} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 69 and name HG1%) ASSI {10894} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 69 and name HG1%) 3.100 1.200 1.200 peak 10894 weight 0.10000E+01 volume 0.42396E-02 ppm1 0.775 ppm2 1.631 CV 1 OR {10894} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 69 and name HG1%) OR {10894} (( segid " " and resid 114 and name HB1 )) ( segid " " and resid 69 and name HG1%) ASSI {11018} (( segid " " and resid 120 and name HG )) (( segid " " and resid 116 and name HA1 )) 5.100 3.300 0.900 peak 11018 weight 0.10000E+01 volume 0.66186E-03 ppm1 4.892 ppm2 1.436 CV 1 OR {11018} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 116 and name HA1 )) ASSI {11072} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HB2 )) 4.800 2.900 1.200 peak 11072 weight 0.10000E+01 volume 0.65625E-03 ppm1 1.530 ppm2 8.354 CV 1 OR {11072} (( segid " " and resid 67 and name HN )) (( segid " " and resid 120 and name HB1 )) ASSI {11118} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB1 )) 2.800 1.000 1.000 peak 11118 weight 0.10000E+01 volume 0.23087E-02 ppm1 1.533 ppm2 4.903 CV 1 OR {11118} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 120 and name HB1 )) ASSI {11321} (( segid " " and resid 132 and name HB1 )) (( segid " " and resid 133 and name HB2 )) 3.600 1.600 1.600 peak 11321 weight 0.10000E+01 volume 0.29489E-02 ppm1 1.545 ppm2 3.090 CV 1 OR {11321} (( segid " " and resid 54 and name HA )) (( segid " " and resid 133 and name HB2 )) ASSI {11359} (( segid " " and resid 22 and name HN )) ( segid " " and resid 23 and name HB% ) 4.100 2.100 1.900 peak 11359 weight 0.10000E+01 volume 0.16173E-02 ppm1 1.342 ppm2 8.292 CV 1 OR {11359} (( segid " " and resid 104 and name HN )) ( segid " " and resid 23 and name HB% ) ASSI {11367} (( segid " " and resid 99 and name HG )) ( segid " " and resid 23 and name HB% ) 3.200 1.300 1.300 peak 11367 weight 0.10000E+01 volume 0.28632E-02 ppm1 1.342 ppm2 1.943 CV 1 OR {11367} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 23 and name HB% ) ASSI {11424} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB1 )) 2.900 1.000 1.000 peak 11424 weight 0.10000E+01 volume 0.27864E-02 ppm1 3.042 ppm2 7.780 CV 1 OR {11424} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 132 and name HB1 )) ASSI {11462} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 42 and name HZ2 )) 4.800 2.900 1.200 peak 11462 weight 0.10000E+01 volume 0.59321E-03 ppm1 6.181 ppm2 3.024 CV 1 OR {11462} (( segid " " and resid 54 and name HA )) (( segid " " and resid 42 and name HZ2 )) ASSI {11464} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 42 and name HZ2 )) 3.000 1.200 1.200 peak 11464 weight 0.10000E+01 volume 0.38127E-02 ppm1 6.182 ppm2 0.478 CV 1 OR {11464} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 42 and name HZ2 )) ASSI {11510} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 66 and name HB2 )) 3.600 1.600 1.600 peak 11510 weight 0.10000E+01 volume 0.19073E-02 ppm1 2.927 ppm2 1.628 CV 1 OR {11510} (( segid " " and resid 115 and name HG )) (( segid " " and resid 66 and name HB2 )) OR {11510} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 66 and name HB2 )) OR {11510} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 66 and name HB2 )) ASSI {11513} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 66 and name HB1 )) 3.700 1.700 1.700 peak 11513 weight 0.10000E+01 volume 0.93351E-03 ppm1 2.782 ppm2 1.630 CV 1 OR {11513} (( segid " " and resid 115 and name HG )) (( segid " " and resid 66 and name HB1 )) OR {11513} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 66 and name HB1 )) OR {11513} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 66 and name HB1 )) ASSI {11521} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HB1 )) 3.900 1.900 1.900 peak 11521 weight 0.10000E+01 volume 0.56089E-03 ppm1 2.213 ppm2 8.610 CV 1 OR {11521} (( segid " " and resid 127 and name HN )) (( segid " " and resid 133 and name HB1 )) ASSI {11524} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB1 )) 2.900 1.100 1.100 peak 11524 weight 0.10000E+01 volume 0.12720E-02 ppm1 2.214 ppm2 5.272 CV 1 OR {11524} (( segid " " and resid 127 and name HA )) (( segid " " and resid 133 and name HB1 )) ASSI {11530} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 133 and name HB1 )) 3.500 1.500 1.500 peak 11530 weight 0.10000E+01 volume 0.17088E-02 ppm1 2.214 ppm2 0.685 CV 1 OR {11530} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 133 and name HB1 )) ASSI {11534} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 132 and name HB2 )) 2.800 1.000 1.000 peak 11534 weight 0.10000E+01 volume 0.26909E-02 ppm1 2.085 ppm2 7.784 CV 1 OR {11534} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HB2 )) ASSI {11537} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 132 and name HB2 )) 4.500 2.500 1.500 peak 11537 weight 0.10000E+01 volume 0.80262E-03 ppm1 2.083 ppm2 1.455 CV 1 OR {11537} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 132 and name HB2 )) ASSI {11542} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.600 0.800 0.800 peak 11542 weight 0.10000E+01 volume 0.35586E-02 ppm1 1.722 ppm2 7.562 CV 1 OR {11542} ( segid " " and resid 96 and name HE% ) (( segid " " and resid 27 and name HB2 )) ASSI {11592} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 11592 weight 0.10000E+01 volume 0.29832E-02 ppm1 0.864 ppm2 8.866 CV 1 OR {11592} (( segid " " and resid 42 and name HN )) ( segid " " and resid 125 and name HG2%) ASSI {11594} (( segid " " and resid 136 and name HN )) ( segid " " and resid 125 and name HG2%) 4.400 2.400 1.600 peak 11594 weight 0.10000E+01 volume 0.60481E-03 ppm1 0.866 ppm2 7.791 CV 1 OR {11594} (( segid " " and resid 133 and name HN )) ( segid " " and resid 125 and name HG2%) ASSI {11600} (( segid " " and resid 133 and name HA )) ( segid " " and resid 125 and name HG2%) 3.800 1.800 1.800 peak 11600 weight 0.10000E+01 volume 0.25127E-02 ppm1 0.863 ppm2 5.267 CV 1 OR {11600} (( segid " " and resid 110 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI {11602} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 125 and name HG2%) 4.000 2.000 2.000 peak 11602 weight 0.10000E+01 volume 0.73644E-03 ppm1 0.862 ppm2 3.408 CV 1 OR {11602} (( segid " " and resid 126 and name HA2 )) ( segid " " and resid 125 and name HG2%) ASSI {11642} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HB2 )) 3.800 1.800 1.800 peak 11642 weight 0.10000E+01 volume 0.66252E-03 ppm1 2.940 ppm2 4.433 CV 1 OR {11642} (( segid " " and resid 72 and name HA )) (( segid " " and resid 70 and name HB1 )) OR {11642} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HB2 )) ASSI {11643} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 35 and name HB1 )) 4.700 2.700 1.300 peak 11643 weight 0.10000E+01 volume 0.78834E-03 ppm1 2.938 ppm2 2.093 CV 1 OR {11643} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HB1 )) OR {11643} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 35 and name HB1 )) ASSI {11644} ( segid " " and resid 115 and name HD2%) (( segid " " and resid 66 and name HB2 )) 3.600 1.600 1.600 peak 11644 weight 0.10000E+01 volume 0.23919E-02 ppm1 2.943 ppm2 0.722 CV 1 OR {11644} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 40 and name HB1 )) OR {11644} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 40 and name HB2 )) ASSI {11648} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HB1 )) 4.500 2.500 1.500 peak 11648 weight 0.10000E+01 volume 0.79476E-03 ppm1 2.929 ppm2 1.987 CV 1 OR {11648} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 70 and name HB1 )) OR {11648} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 66 and name HB2 )) OR {11648} (( segid " " and resid 39 and name HB )) (( segid " " and resid 40 and name HB1 )) OR {11648} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 66 and name HB2 )) OR {11648} (( segid " " and resid 39 and name HB )) (( segid " " and resid 40 and name HB2 )) OR {11648} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 35 and name HB1 )) ASSI {11665} ( segid " " and resid 96 and name HE% ) (( segid " " and resid 27 and name HB1 )) 3.300 1.300 1.300 peak 11665 weight 0.10000E+01 volume 0.23884E-02 ppm1 1.311 ppm2 7.565 CV 1 OR {11665} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI {11710} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 11710 weight 0.10000E+01 volume 0.61545E-02 ppm1 2.926 ppm2 8.188 CV 1 OR {11710} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) OR {11710} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) OR {11710} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) OR {11710} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI {11712} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 70 and name HB1 )) 3.800 1.800 1.800 peak 11712 weight 0.10000E+01 volume 0.12894E-02 ppm1 2.931 ppm2 0.996 CV 1 OR {11712} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HB1 )) ASSI {11746} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 3.200 1.300 1.300 peak 11746 weight 0.10000E+01 volume 0.17582E-02 ppm1 3.507 ppm2 8.286 CV 1 OR {11746} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HA )) ASSI {11747} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 102 and name HA )) 3.300 1.300 1.300 peak 11747 weight 0.10000E+01 volume 0.21557E-02 ppm1 3.507 ppm2 7.750 CV 1 OR {11747} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 102 and name HA )) ASSI {11758} (( segid " " and resid 107 and name HG )) (( segid " " and resid 102 and name HA )) 4.600 2.700 1.400 peak 11758 weight 0.10000E+01 volume 0.61525E-03 ppm1 3.505 ppm2 1.341 CV 1 OR {11758} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 102 and name HA )) OR {11758} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 102 and name HA )) ASSI {11768} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 54 and name HA )) 2.900 1.000 1.000 peak 11768 weight 0.10000E+01 volume 0.24228E-02 ppm1 3.036 ppm2 1.719 CV 1 OR {11768} (( segid " " and resid 54 and name HB )) (( segid " " and resid 54 and name HA )) ASSI {11782} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 130 and name HB% ) 3.900 1.900 1.900 peak 11782 weight 0.10000E+01 volume 0.13557E-02 ppm1 1.445 ppm2 2.046 CV 1 OR {11782} (( segid " " and resid 129 and name HG2 )) ( segid " " and resid 130 and name HB% ) ASSI {11794} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB1 )) 4.100 2.100 1.900 peak 11794 weight 0.10000E+01 volume 0.10581E-02 ppm1 2.928 ppm2 7.904 CV 1 OR {11794} (( segid " " and resid 112 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI {11795} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 2.500 0.800 0.800 peak 11795 weight 0.10000E+01 volume 0.67987E-02 ppm1 2.924 ppm2 4.883 CV 1 OR {11795} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB1 )) OR {11795} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB2 )) ASSI {11799} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.400 1.400 1.400 peak 11799 weight 0.10000E+01 volume 0.45227E-02 ppm1 2.706 ppm2 8.198 CV 1 OR {11799} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI {11800} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.400 1.500 1.500 peak 11800 weight 0.10000E+01 volume 0.80196E-03 ppm1 2.706 ppm2 7.898 CV 1 OR {11800} (( segid " " and resid 112 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI {11807} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HB2 )) 5.100 3.300 0.900 peak 11807 weight 0.10000E+01 volume 0.67184E-03 ppm1 2.707 ppm2 1.977 CV 1 OR {11807} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 70 and name HB2 )) ASSI {11854} (( segid " " and resid 129 and name HD2 )) ( segid " " and resid 130 and name HB% ) 3.900 1.900 1.900 peak 11854 weight 0.10000E+01 volume 0.18410E-02 ppm1 1.446 ppm2 4.071 CV 1 OR {11854} (( segid " " and resid 129 and name HD1 )) ( segid " " and resid 130 and name HB% ) OR {11854} (( segid " " and resid 14 and name HA )) ( segid " " and resid 130 and name HB% ) ASSI {11855} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 130 and name HB% ) 4.500 2.600 1.500 peak 11855 weight 0.10000E+01 volume 0.92545E-03 ppm1 1.441 ppm2 1.719 CV 1 OR {11855} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 130 and name HB% ) OR {11855} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 130 and name HB% ) ASSI {11887} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 11887 weight 0.10000E+01 volume 0.20129E-02 ppm1 3.157 ppm2 3.704 CV 1 OR {11887} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HB2 )) OR {11887} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 35 and name HB2 )) ASSI {11893} (( segid " " and resid 139 and name HN )) (( segid " " and resid 35 and name HB1 )) 2.900 1.000 1.000 peak 11893 weight 0.10000E+01 volume 0.16228E-02 ppm1 2.944 ppm2 8.543 CV 1 OR {11893} (( segid " " and resid 61 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI {11956} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 35 and name HB1 )) 4.200 2.200 1.800 peak 11956 weight 0.10000E+01 volume 0.13907E-02 ppm1 2.950 ppm2 3.702 CV 1 OR {11956} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HB1 )) OR {11956} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 35 and name HB1 )) ASSI {11958} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 136 and name HB )) 4.100 2.100 1.900 peak 11958 weight 0.10000E+01 volume 0.17271E-02 ppm1 1.895 ppm2 1.443 CV 1 OR {11958} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 136 and name HB )) ASSI {11975} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 93 and name HA )) 3.500 1.600 1.600 peak 11975 weight 0.10000E+01 volume 0.23208E-02 ppm1 4.153 ppm2 7.458 CV 1 OR {11975} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HA )) ASSI {11976} (( segid " " and resid 79 and name HA )) (( segid " " and resid 93 and name HA )) 4.400 2.500 1.600 peak 11976 weight 0.10000E+01 volume 0.83866E-03 ppm1 4.151 ppm2 4.710 CV 1 OR {11976} (( segid " " and resid 90 and name HA )) (( segid " " and resid 93 and name HA )) ASSI {11979} (( segid " " and resid 89 and name HA )) (( segid " " and resid 93 and name HA )) 4.300 2.300 1.700 peak 11979 weight 0.10000E+01 volume 0.81903E-03 ppm1 4.149 ppm2 3.898 CV 1 OR {11979} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 93 and name HA )) ASSI {11984} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 93 and name HA )) 3.500 1.500 1.500 peak 11984 weight 0.10000E+01 volume 0.15753E-02 ppm1 4.155 ppm2 1.312 CV 1 OR {11984} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 93 and name HA )) ASSI {12012} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 136 and name HB )) 3.400 1.500 1.500 peak 12012 weight 0.10000E+01 volume 0.17901E-02 ppm1 1.895 ppm2 7.322 CV 1 OR {12012} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 136 and name HB )) ASSI {12015} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB )) 2.400 0.700 0.700 peak 12015 weight 0.10000E+01 volume 0.30999E-02 ppm1 1.894 ppm2 5.684 CV 1 OR {12015} (( segid " " and resid 136 and name HA )) (( segid " " and resid 20 and name HB2 )) ASSI {12016} (( segid " " and resid 39 and name HA )) (( segid " " and resid 136 and name HB )) 4.300 2.300 1.700 peak 12016 weight 0.10000E+01 volume 0.99923E-03 ppm1 1.896 ppm2 4.906 CV 1 OR {12016} (( segid " " and resid 38 and name HA )) (( segid " " and resid 136 and name HB )) OR {12016} (( segid " " and resid 135 and name HA2 )) (( segid " " and resid 20 and name HB2 )) OR {12016} (( segid " " and resid 39 and name HA )) (( segid " " and resid 20 and name HB2 )) ASSI {12017} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 136 and name HB )) 2.800 1.000 1.000 peak 12017 weight 0.10000E+01 volume 0.19419E-02 ppm1 1.895 ppm2 2.963 CV 1 OR {12017} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 136 and name HB )) OR {12017} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 20 and name HB2 )) ASSI {12090} (( segid " " and resid 21 and name HA )) ( segid " " and resid 136 and name HG2%) 3.400 1.400 1.400 peak 12090 weight 0.10000E+01 volume 0.21903E-02 ppm1 0.738 ppm2 3.733 CV 1 OR {12090} (( segid " " and resid 20 and name HA )) ( segid " " and resid 136 and name HG2%) OR {12090} (( segid " " and resid 17 and name HA )) ( segid " " and resid 136 and name HG2%) ASSI {12092} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 136 and name HG2%) 2.500 0.800 0.800 peak 12092 weight 0.10000E+01 volume 0.26597E-02 ppm1 0.739 ppm2 2.943 CV 1 OR {12092} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 136 and name HG2%) OR {12092} (( segid " " and resid 21 and name HE1 )) ( segid " " and resid 136 and name HG2%) ASSI {12093} (( segid " " and resid 124 and name HB )) ( segid " " and resid 136 and name HG2%) 4.400 2.400 1.600 peak 12093 weight 0.10000E+01 volume 0.92934E-03 ppm1 0.739 ppm2 2.429 CV 1 OR {12093} (( segid " " and resid 19 and name HG1 )) ( segid " " and resid 136 and name HG2%) ASSI {12094} (( segid " " and resid 136 and name HB )) ( segid " " and resid 136 and name HG2%) 2.000 0.500 0.500 peak 12094 weight 0.10000E+01 volume 0.13204E-01 ppm1 0.738 ppm2 1.894 CV 1 OR {12094} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 136 and name HG2%) ASSI {12095} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 136 and name HG2%) 3.800 1.800 1.800 peak 12095 weight 0.10000E+01 volume 0.15080E-02 ppm1 0.738 ppm2 1.685 CV 1 OR {12095} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 136 and name HG2%) OR {12095} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 136 and name HG2%) ASSI {12115} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 35 and name HB1 )) 4.300 2.300 1.700 peak 12115 weight 0.10000E+01 volume 0.13824E-02 ppm1 2.931 ppm2 3.698 CV 1 OR {12115} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HB1 )) OR {12115} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HE2 )) OR {12115} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HE1 )) OR {12115} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 35 and name HB1 )) ASSI {12131} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 106 and name HB2 )) 4.000 2.000 2.000 peak 12131 weight 0.10000E+01 volume 0.58561E-03 ppm1 2.429 ppm2 1.672 CV 1 OR {12131} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 106 and name HB2 )) OR {12131} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 106 and name HB1 )) OR {12131} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 106 and name HB1 )) OR {12131} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 106 and name HB2 )) OR {12131} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 106 and name HB1 )) ASSI {12139} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 3.200 1.300 1.300 peak 12139 weight 0.10000E+01 volume 0.21242E-02 ppm1 1.672 ppm2 8.861 CV 1 OR {12139} (( segid " " and resid 42 and name HN )) (( segid " " and resid 125 and name HB )) ASSI {12143} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 125 and name HB )) 4.000 2.000 2.000 peak 12143 weight 0.10000E+01 volume 0.10572E-02 ppm1 1.673 ppm2 4.704 CV 1 OR {12143} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HB )) OR {12143} (( segid " " and resid 45 and name HA )) (( segid " " and resid 125 and name HB )) ASSI {12145} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 20 and name HB1 )) 2.200 0.600 0.600 peak 12145 weight 0.10000E+01 volume 0.64957E-02 ppm1 1.671 ppm2 0.857 CV 1 OR {12145} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) OR {12145} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 125 and name HB )) OR {12145} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HB )) ASSI {12146} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 125 and name HB )) 3.000 1.200 1.200 peak 12146 weight 0.10000E+01 volume 0.42555E-02 ppm1 1.670 ppm2 0.658 CV 1 OR {12146} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 20 and name HB1 )) ASSI {12166} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 3.300 1.400 1.400 peak 12166 weight 0.10000E+01 volume 0.13092E-02 ppm1 4.280 ppm2 8.341 CV 1 OR {12166} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HA )) ASSI {12184} (( segid " " and resid 40 and name HN )) ( segid " " and resid 136 and name HG2%) 4.000 2.000 2.000 peak 12184 weight 0.10000E+01 volume 0.19785E-02 ppm1 0.738 ppm2 8.209 CV 1 OR {12184} (( segid " " and resid 105 and name HN )) ( segid " " and resid 136 and name HG2%) ASSI {12186} (( segid " " and resid 25 and name HN )) ( segid " " and resid 136 and name HG2%) 4.600 2.700 1.400 peak 12186 weight 0.10000E+01 volume 0.61249E-03 ppm1 0.736 ppm2 7.539 CV 1 OR {12186} (( segid " " and resid 24 and name HN )) ( segid " " and resid 136 and name HG2%) ASSI {12187} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 136 and name HG2%) 3.800 1.800 1.800 peak 12187 weight 0.10000E+01 volume 0.18223E-02 ppm1 0.738 ppm2 7.320 CV 1 OR {12187} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 136 and name HG2%) ASSI {12194} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HB% ) 2.900 1.100 1.100 peak 12194 weight 0.10000E+01 volume 0.81923E-02 ppm1 0.651 ppm2 7.662 CV 1 OR {12194} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 78 and name HB% ) ASSI {12230} (( segid " " and resid 20 and name HG )) (( segid " " and resid 20 and name HB1 )) 3.200 1.300 1.300 peak 12230 weight 0.10000E+01 volume 0.11102E-02 ppm1 1.667 ppm2 0.992 CV 1 OR {12230} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 125 and name HB )) ASSI {12322} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 12322 weight 0.10000E+01 volume 0.10941E-02 ppm1 2.973 ppm2 3.942 CV 1 OR {12322} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 21 and name HE1 )) ASSI {12323} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 12323 weight 0.10000E+01 volume 0.21258E-02 ppm1 2.979 ppm2 0.825 CV 1 OR {12323} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 37 and name HB2 )) ASSI {12327} (( segid " " and resid 17 and name HN )) (( segid " " and resid 11 and name HE1 )) 4.200 2.200 1.800 peak 12327 weight 0.10000E+01 volume 0.11915E-02 ppm1 2.923 ppm2 8.256 CV 1 OR {12327} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE1 )) OR {12327} (( segid " " and resid 17 and name HN )) (( segid " " and resid 11 and name HE2 )) OR {12327} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HE1 )) OR {12327} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE2 )) OR {12327} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE1 )) OR {12327} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE2 )) OR {12327} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HE2 )) ASSI {12328} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HE1 )) 4.000 2.000 2.000 peak 12328 weight 0.10000E+01 volume 0.14151E-02 ppm1 2.925 ppm2 7.898 CV 1 OR {12328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE1 )) OR {12328} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE2 )) ASSI {12329} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HE1 )) 4.100 2.100 1.900 peak 12329 weight 0.10000E+01 volume 0.13857E-02 ppm1 2.923 ppm2 7.856 CV 1 OR {12329} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HE2 )) OR {12329} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HE2 )) OR {12329} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HE1 )) OR {12329} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE1 )) OR {12329} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HE2 )) ASSI {12330} (( segid " " and resid 25 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.800 1.800 1.800 peak 12330 weight 0.10000E+01 volume 0.13537E-02 ppm1 2.925 ppm2 7.558 CV 1 OR {12330} (( segid " " and resid 24 and name HN )) (( segid " " and resid 37 and name HB1 )) OR {12330} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HE1 )) OR {12330} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HE2 )) OR {12330} (( segid " " and resid 27 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI {12334} (( segid " " and resid 25 and name HA )) (( segid " " and resid 37 and name HB1 )) 3.400 1.500 1.500 peak 12334 weight 0.10000E+01 volume 0.89824E-03 ppm1 2.927 ppm2 4.540 CV 1 OR {12334} (( segid " " and resid 25 and name HA )) (( segid " " and resid 21 and name HE2 )) OR {12334} (( segid " " and resid 25 and name HA )) (( segid " " and resid 21 and name HE1 )) ASSI {12335} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HE1 )) 3.600 1.600 1.600 peak 12335 weight 0.10000E+01 volume 0.19546E-02 ppm1 2.921 ppm2 4.314 CV 1 OR {12335} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HE2 )) OR {12335} (( segid " " and resid 24 and name HA )) (( segid " " and resid 37 and name HB1 )) OR {12335} (( segid " " and resid 13 and name HA )) (( segid " " and resid 11 and name HE1 )) ASSI {12336} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HE1 )) 3.700 1.700 1.700 peak 12336 weight 0.10000E+01 volume 0.22489E-02 ppm1 2.926 ppm2 4.038 CV 1 OR {12336} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HE1 )) OR {12336} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HE2 )) ASSI {12339} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HE1 )) 1.700 0.400 0.500 peak 12339 weight 0.10000E+01 volume 0.56347E-01 ppm1 2.921 ppm2 1.625 CV 1 OR {12339} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HE1 )) OR {12339} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HE2 )) OR {12339} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 108 and name HE2 )) OR {12339} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 108 and name HE2 )) OR {12339} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 108 and name HE1 )) OR {12339} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 95 and name HE2 )) OR {12339} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 95 and name HE1 )) ASSI {12340} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HE1 )) 2.100 0.600 0.600 peak 12340 weight 0.10000E+01 volume 0.17840E-01 ppm1 2.921 ppm2 1.334 CV 1 OR {12340} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HE2 )) OR {12340} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HE2 )) OR {12340} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HE1 )) OR {12340} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HE2 )) OR {12340} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HE1 )) ASSI {12341} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HE1 )) 3.200 1.300 1.300 peak 12341 weight 0.10000E+01 volume 0.43686E-02 ppm1 2.924 ppm2 0.804 CV 1 OR {12341} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 37 and name HB1 )) OR {12341} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 21 and name HE1 )) OR {12341} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HE1 )) OR {12341} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HE2 )) OR {12341} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 37 and name HB1 )) ASSI {12346} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 21 and name HE2 )) 2.800 1.000 1.000 peak 12346 weight 0.10000E+01 volume 0.56908E-02 ppm1 2.919 ppm2 2.334 CV 1 OR {12346} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 21 and name HE2 )) OR {12346} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HE1 )) OR {12346} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 21 and name HE1 )) OR {12346} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 21 and name HE1 )) OR {12346} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 11 and name HE1 )) OR {12346} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 11 and name HE2 )) OR {12346} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 11 and name HE1 )) ASSI {12347} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HE1 )) 2.800 1.000 1.000 peak 12347 weight 0.10000E+01 volume 0.57962E-02 ppm1 2.917 ppm2 2.127 CV 1 OR {12347} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 95 and name HE2 )) OR {12347} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 11 and name HE2 )) OR {12347} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HE1 )) OR {12347} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HE2 )) ASSI {12364} (( segid " " and resid 139 and name HG1 )) (( segid " " and resid 139 and name HE2 )) 3.500 1.500 1.500 peak 12364 weight 0.10000E+01 volume 0.10377E-02 ppm1 2.697 ppm2 0.318 CV 1 OR {12364} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 104 and name HE1 )) OR {12364} (( segid " " and resid 139 and name HG2 )) (( segid " " and resid 139 and name HE2 )) ASSI {12372} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.800 1.000 1.000 peak 12372 weight 0.10000E+01 volume 0.29571E-02 ppm1 1.896 ppm2 3.732 CV 1 OR {12372} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) OR {12372} (( segid " " and resid 21 and name HA )) (( segid " " and resid 20 and name HB2 )) ASSI {12373} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HB2 )) 2.100 0.600 0.600 peak 12373 weight 0.10000E+01 volume 0.18304E-02 ppm1 1.899 ppm2 1.665 CV 1 OR {12373} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 20 and name HB2 )) ASSI {12375} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 20 and name HB2 )) 2.400 0.700 0.700 peak 12375 weight 0.10000E+01 volume 0.42744E-02 ppm1 1.894 ppm2 0.518 CV 1 OR {12375} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 20 and name HB2 )) OR {12375} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 136 and name HB )) ASSI {12430} (( segid " " and resid 60 and name HN )) ( segid " " and resid 64 and name HB% ) 3.800 1.800 1.800 peak 12430 weight 0.10000E+01 volume 0.82827E-03 ppm1 1.441 ppm2 7.616 CV 1 OR {12430} (( segid " " and resid 59 and name HN )) ( segid " " and resid 64 and name HB% ) ASSI {12466} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.600 1.700 1.700 peak 12466 weight 0.10000E+01 volume 0.15070E-02 ppm1 2.920 ppm2 9.222 CV 1 OR {12466} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HE1 )) OR {12466} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HE2 )) OR {12466} (( segid " " and resid 38 and name HN )) (( segid " " and resid 21 and name HE2 )) OR {12466} (( segid " " and resid 38 and name HN )) (( segid " " and resid 21 and name HE1 )) ASSI {12473} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 139 and name HE2 )) 4.300 2.300 1.700 peak 12473 weight 0.10000E+01 volume 0.97095E-03 ppm1 2.696 ppm2 2.197 CV 1 OR {12473} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 104 and name HE1 )) ASSI {12474} (( segid " " and resid 99 and name HG )) (( segid " " and resid 104 and name HE1 )) 3.500 1.600 1.600 peak 12474 weight 0.10000E+01 volume 0.13525E-02 ppm1 2.693 ppm2 1.904 CV 1 OR {12474} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HE1 )) ASSI {12580} (( segid " " and resid 95 and name HG1 )) ( segid " " and resid 91 and name HB% ) 3.200 1.300 1.300 peak 12580 weight 0.10000E+01 volume 0.30298E-02 ppm1 1.547 ppm2 1.821 CV 1 OR {12580} (( segid " " and resid 95 and name HG1 )) ( segid " " and resid 94 and name HB% ) OR {12580} (( segid " " and resid 81 and name HG1 )) ( segid " " and resid 94 and name HB% ) ASSI {12620} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HE2 )) 3.400 1.400 1.400 peak 12620 weight 0.10000E+01 volume 0.25250E-02 ppm1 2.862 ppm2 0.614 CV 1 OR {12620} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HE2 )) ASSI {12621} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HE1 )) 2.900 1.000 1.000 peak 12621 weight 0.10000E+01 volume 0.25128E-02 ppm1 2.686 ppm2 1.306 CV 1 OR {12621} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HE1 )) OR {12621} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 104 and name HE1 )) ASSI {12623} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HE1 )) 4.800 2.800 1.200 peak 12623 weight 0.10000E+01 volume 0.64809E-03 ppm1 2.684 ppm2 3.973 CV 1 OR {12623} (( segid " " and resid 101 and name HA )) (( segid " " and resid 104 and name HE1 )) OR {12623} (( segid " " and resid 97 and name HA )) (( segid " " and resid 104 and name HE1 )) ASSI {12627} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HE1 )) 3.400 1.500 1.500 peak 12627 weight 0.10000E+01 volume 0.33054E-02 ppm1 2.684 ppm2 0.611 CV 1 OR {12627} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HE1 )) OR {12627} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 139 and name HE2 )) ASSI {12657} (( segid " " and resid 96 and name HN )) ( segid " " and resid 94 and name HB% ) 3.800 1.800 1.800 peak 12657 weight 0.10000E+01 volume 0.17147E-02 ppm1 1.546 ppm2 8.772 CV 1 OR {12657} (( segid " " and resid 97 and name HN )) ( segid " " and resid 94 and name HB% ) ASSI {12661} (( segid " " and resid 90 and name HA )) ( segid " " and resid 94 and name HB% ) 4.400 2.400 1.600 peak 12661 weight 0.10000E+01 volume 0.88386E-03 ppm1 1.542 ppm2 4.682 CV 1 OR {12661} (( segid " " and resid 90 and name HA )) ( segid " " and resid 91 and name HB% ) ASSI {12662} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HB% ) 1.900 0.400 0.400 peak 12662 weight 0.10000E+01 volume 0.43146E-01 ppm1 1.548 ppm2 4.247 CV 1 OR {12662} (( segid " " and resid 91 and name HA )) ( segid " " and resid 91 and name HB% ) ASSI {12664} (( segid " " and resid 92 and name HA )) ( segid " " and resid 91 and name HB% ) 3.500 1.500 1.500 peak 12664 weight 0.10000E+01 volume 0.20091E-02 ppm1 1.551 ppm2 3.672 CV 1 OR {12664} (( segid " " and resid 92 and name HA )) ( segid " " and resid 94 and name HB% ) ASSI {12666} (( segid " " and resid 92 and name HB )) ( segid " " and resid 91 and name HB% ) 3.400 1.500 1.500 peak 12666 weight 0.10000E+01 volume 0.58267E-02 ppm1 1.546 ppm2 2.370 CV 1 OR {12666} (( segid " " and resid 93 and name HB )) ( segid " " and resid 94 and name HB% ) OR {12666} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 94 and name HB% ) OR {12666} (( segid " " and resid 92 and name HB )) ( segid " " and resid 94 and name HB% ) ASSI {12669} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 94 and name HB% ) 3.300 1.300 1.300 peak 12669 weight 0.10000E+01 volume 0.27475E-02 ppm1 1.546 ppm2 1.927 CV 1 OR {12669} (( segid " " and resid 98 and name HB1 )) ( segid " " and resid 94 and name HB% ) OR {12669} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 94 and name HB% ) OR {12669} (( segid " " and resid 88 and name HB1 )) ( segid " " and resid 91 and name HB% ) OR {12669} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 91 and name HB% ) ASSI {12785} (( segid " " and resid 141 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 12785 weight 0.10000E+01 volume 0.61853E-03 ppm1 3.703 ppm2 8.800 CV 1 OR {12785} (( segid " " and resid 141 and name HN )) (( segid " " and resid 33 and name HB1 )) OR {12785} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI {12786} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB1 )) 3.200 1.200 1.200 peak 12786 weight 0.10000E+01 volume 0.53271E-02 ppm1 3.701 ppm2 4.724 CV 1 OR {12786} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB2 )) OR {12786} (( segid " " and resid 119 and name HA )) (( segid " " and resid 33 and name HB2 )) ASSI {12794} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 33 and name HB2 )) 4.700 2.700 1.300 peak 12794 weight 0.10000E+01 volume 0.10497E-02 ppm1 3.698 ppm2 2.070 CV 1 OR {12794} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 33 and name HB1 )) OR {12794} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 33 and name HB1 )) OR {12794} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 33 and name HB1 )) OR {12794} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 33 and name HB2 )) ASSI {12795} (( segid " " and resid 141 and name HB )) (( segid " " and resid 33 and name HB2 )) 3.300 1.300 1.300 peak 12795 weight 0.10000E+01 volume 0.32215E-02 ppm1 3.700 ppm2 1.805 CV 1 OR {12795} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HB2 )) OR {12795} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 33 and name HB1 )) OR {12795} (( segid " " and resid 141 and name HB )) (( segid " " and resid 33 and name HB1 )) OR {12795} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 33 and name HB1 )) OR {12795} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB1 )) OR {12795} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 33 and name HB2 )) ASSI {12863} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.500 1.500 1.500 peak 12863 weight 0.10000E+01 volume 0.98160E-03 ppm1 2.624 ppm2 8.855 CV 1 OR {12863} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HB1 )) ASSI {12867} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HB2 )) 1.600 0.300 0.600 peak 12867 weight 0.10000E+01 volume 0.22368E-01 ppm1 2.624 ppm2 2.910 CV 1 OR {12867} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 25 and name HB2 )) ASSI {12873} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.700 0.900 0.900 peak 12873 weight 0.10000E+01 volume 0.26820E-02 ppm1 1.779 ppm2 3.943 CV 1 OR {12873} (( segid " " and resid 101 and name HA )) (( segid " " and resid 100 and name HB1 )) ASSI {12874} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.900 1.000 1.000 peak 12874 weight 0.10000E+01 volume 0.32727E-02 ppm1 1.777 ppm2 3.538 CV 1 OR {12874} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 100 and name HB1 )) ASSI {12875} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 100 and name HB1 )) 4.500 2.600 1.500 peak 12875 weight 0.10000E+01 volume 0.59014E-03 ppm1 1.779 ppm2 2.684 CV 1 OR {12875} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 100 and name HB1 )) ASSI {12927} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.200 1.300 1.300 peak 12927 weight 0.10000E+01 volume 0.35893E-02 ppm1 1.805 ppm2 8.276 CV 1 OR {12927} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HB1 )) ASSI {12928} (( segid " " and resid 98 and name HA )) (( segid " " and resid 100 and name HB1 )) 3.300 1.400 1.400 peak 12928 weight 0.10000E+01 volume 0.23168E-02 ppm1 1.805 ppm2 4.063 CV 1 OR {12928} (( segid " " and resid 96 and name HA )) (( segid " " and resid 100 and name HB1 )) OR {12928} (( segid " " and resid 76 and name HA )) (( segid " " and resid 100 and name HB1 )) ASSI {12931} (( segid " " and resid 99 and name HG )) (( segid " " and resid 100 and name HB1 )) 4.100 2.100 1.900 peak 12931 weight 0.10000E+01 volume 0.13233E-02 ppm1 1.789 ppm2 1.964 CV 1 OR {12931} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 100 and name HB1 )) OR {12931} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 100 and name HB1 )) ASSI {12936} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB1 )) 3.000 1.200 1.200 peak 12936 weight 0.10000E+01 volume 0.61528E-02 ppm1 1.784 ppm2 0.765 CV 1 OR {12936} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 100 and name HB1 )) ASSI {12974} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.700 1.700 1.700 peak 12974 weight 0.10000E+01 volume 0.15888E-02 ppm1 1.515 ppm2 7.853 CV 1 OR {12974} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) OR {12974} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI {12992} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.000 1.100 1.100 peak 12992 weight 0.10000E+01 volume 0.19330E-02 ppm1 3.916 ppm2 7.545 CV 1 OR {12992} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI {12998} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 24 and name HB2 )) 3.200 1.300 1.300 peak 12998 weight 0.10000E+01 volume 0.21211E-02 ppm1 3.914 ppm2 2.960 CV 1 OR {12998} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 24 and name HB2 )) OR {12998} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HB2 )) ASSI {13003} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.800 1.000 1.000 peak 13003 weight 0.10000E+01 volume 0.21785E-02 ppm1 3.440 ppm2 7.547 CV 1 OR {13003} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) ASSI {13008} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 24 and name HB1 )) 3.300 1.400 1.400 peak 13008 weight 0.10000E+01 volume 0.15897E-02 ppm1 3.441 ppm2 2.946 CV 1 OR {13008} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 24 and name HB1 )) OR {13008} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HB1 )) ASSI {13009} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 24 and name HB1 )) 4.400 2.400 1.600 peak 13009 weight 0.10000E+01 volume 0.67532E-03 ppm1 3.439 ppm2 1.323 CV 1 OR {13009} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 24 and name HB1 )) OR {13009} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 24 and name HB1 )) ASSI {13034} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 123 and name HB2 )) 4.700 2.700 1.300 peak 13034 weight 0.10000E+01 volume 0.65477E-03 ppm1 2.797 ppm2 6.527 CV 1 OR {13034} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 123 and name HB2 )) ASSI {13035} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name HB2 )) 4.700 2.700 1.300 peak 13035 weight 0.10000E+01 volume 0.63191E-03 ppm1 2.796 ppm2 4.827 CV 1 OR {13035} (( segid " " and resid 113 and name HA )) (( segid " " and resid 123 and name HB2 )) OR {13035} (( segid " " and resid 112 and name HA )) (( segid " " and resid 123 and name HB2 )) ASSI {13037} (( segid " " and resid 54 and name HB )) (( segid " " and resid 123 and name HB2 )) 4.400 2.400 1.600 peak 13037 weight 0.10000E+01 volume 0.83792E-03 ppm1 2.796 ppm2 1.688 CV 1 OR {13037} (( segid " " and resid 115 and name HG )) (( segid " " and resid 123 and name HB2 )) OR {13037} (( segid " " and resid 125 and name HB )) (( segid " " and resid 123 and name HB2 )) OR {13037} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 123 and name HB2 )) OR {13037} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 123 and name HB2 )) OR {13037} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 123 and name HB2 )) ASSI {13038} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 123 and name HB2 )) 4.500 2.600 1.500 peak 13038 weight 0.10000E+01 volume 0.85693E-03 ppm1 2.797 ppm2 0.852 CV 1 OR {13038} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 123 and name HB2 )) OR {13038} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 123 and name HB2 )) OR {13038} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 123 and name HB2 )) ASSI {13043} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 123 and name HB1 )) 4.800 2.900 1.200 peak 13043 weight 0.10000E+01 volume 0.64896E-03 ppm1 2.650 ppm2 6.529 CV 1 OR {13043} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 123 and name HB1 )) ASSI {13044} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 123 and name HB1 )) 3.900 1.900 1.900 peak 13044 weight 0.10000E+01 volume 0.94364E-03 ppm1 2.648 ppm2 0.863 CV 1 OR {13044} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 123 and name HB1 )) OR {13044} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 123 and name HB1 )) OR {13044} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 123 and name HB1 )) ASSI {13129} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 53 and name HG2%) 3.600 1.600 1.600 peak 13129 weight 0.10000E+01 volume 0.28033E-02 ppm1 0.893 ppm2 3.874 CV 1 OR {13129} (( segid " " and resid 56 and name HA )) ( segid " " and resid 53 and name HG2%) ASSI {13133} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 53 and name HG2%) 3.500 1.500 1.500 peak 13133 weight 0.10000E+01 volume 0.14879E-02 ppm1 0.891 ppm2 2.017 CV 1 OR {13133} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 53 and name HG2%) ASSI {13214} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 71 and name HG2%) 3.200 1.300 1.300 peak 13214 weight 0.10000E+01 volume 0.39220E-02 ppm1 1.019 ppm2 2.691 CV 1 OR {13214} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 71 and name HG2%) ASSI {13220} (( segid " " and resid 74 and name HN )) ( segid " " and resid 71 and name HG2%) 4.600 2.700 1.400 peak 13220 weight 0.10000E+01 volume 0.89266E-03 ppm1 1.018 ppm2 8.214 CV 1 OR {13220} (( segid " " and resid 70 and name HN )) ( segid " " and resid 71 and name HG2%) OR {13220} (( segid " " and resid 105 and name HN )) ( segid " " and resid 71 and name HG2%) ASSI {13222} (( segid " " and resid 101 and name HN )) ( segid " " and resid 71 and name HG2%) 4.200 2.200 1.800 peak 13222 weight 0.10000E+01 volume 0.13482E-02 ppm1 1.018 ppm2 7.673 CV 1 OR {13222} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 71 and name HG2%) ASSI {13223} (( segid " " and resid 111 and name HE21)) ( segid " " and resid 71 and name HG2%) 4.000 2.000 2.000 peak 13223 weight 0.10000E+01 volume 0.81040E-03 ppm1 1.017 ppm2 7.309 CV 1 OR {13223} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 71 and name HG2%) OR {13223} (( segid " " and resid 106 and name HN )) ( segid " " and resid 71 and name HG2%) ASSI {13224} (( segid " " and resid 70 and name HA )) ( segid " " and resid 71 and name HG2%) 3.700 1.800 1.800 peak 13224 weight 0.10000E+01 volume 0.27646E-02 ppm1 1.018 ppm2 4.877 CV 1 OR {13224} (( segid " " and resid 112 and name HA )) ( segid " " and resid 71 and name HG2%) ASSI {13225} (( segid " " and resid 111 and name HA )) ( segid " " and resid 71 and name HG2%) 3.400 1.400 1.400 peak 13225 weight 0.10000E+01 volume 0.33848E-02 ppm1 1.015 ppm2 4.701 CV 1 OR {13225} (( segid " " and resid 124 and name HA )) ( segid " " and resid 71 and name HG2%) ASSI {13226} (( segid " " and resid 109 and name HA )) ( segid " " and resid 71 and name HG2%) 3.000 1.200 1.200 peak 13226 weight 0.10000E+01 volume 0.21580E-02 ppm1 1.017 ppm2 4.457 CV 1 OR {13226} (( segid " " and resid 72 and name HA )) ( segid " " and resid 71 and name HG2%) ASSI {13290} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 49 and name HA )) 3.800 1.800 1.800 peak 13290 weight 0.10000E+01 volume 0.16748E-02 ppm1 3.661 ppm2 1.796 CV 1 OR {13290} (( segid " " and resid 53 and name HB )) (( segid " " and resid 49 and name HA )) ASSI {13293} (( segid " " and resid 21 and name HA )) (( segid " " and resid 24 and name HB1 )) 3.200 1.300 1.300 peak 13293 weight 0.10000E+01 volume 0.95309E-03 ppm1 3.470 ppm2 3.731 CV 1 OR {13293} (( segid " " and resid 20 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI {13303} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 3.100 1.200 1.200 peak 13303 weight 0.10000E+01 volume 0.53056E-02 ppm1 0.650 ppm2 8.291 CV 1 OR {13303} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) OR {13303} (( segid " " and resid 17 and name HN )) ( segid " " and resid 16 and name HG2%) ASSI {13305} (( segid " " and resid 106 and name HD22)) ( segid " " and resid 103 and name HG2%) 3.600 1.600 1.600 peak 13305 weight 0.10000E+01 volume 0.10457E-02 ppm1 0.647 ppm2 7.315 CV 1 OR {13305} (( segid " " and resid 106 and name HN )) ( segid " " and resid 16 and name HG2%) ASSI {13350} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.800 0.800 peak 13350 weight 0.10000E+01 volume 0.44216E-02 ppm1 3.478 ppm2 7.868 CV 1 OR {13350} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) ASSI {13353} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 16 and name HA )) 3.300 1.300 1.300 peak 13353 weight 0.10000E+01 volume 0.15734E-02 ppm1 3.478 ppm2 2.453 CV 1 OR {13353} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI {13354} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 13354 weight 0.10000E+01 volume 0.58712E-02 ppm1 3.478 ppm2 2.003 CV 1 OR {13354} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI {13355} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 13355 weight 0.10000E+01 volume 0.40518E-02 ppm1 3.478 ppm2 1.675 CV 1 OR {13355} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 16 and name HA )) OR {13355} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI {13399} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) 3.300 1.400 1.400 peak 13399 weight 0.10000E+01 volume 0.13041E-02 ppm1 4.073 ppm2 8.197 CV 1 OR {13399} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) ASSI {13400} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 13400 weight 0.10000E+01 volume 0.12140E-02 ppm1 4.074 ppm2 7.903 CV 1 OR {13400} (( segid " " and resid 112 and name HN )) (( segid " " and resid 71 and name HA )) ASSI {13403} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HA )) 4.300 2.300 1.700 peak 13403 weight 0.10000E+01 volume 0.91413E-03 ppm1 4.073 ppm2 4.874 CV 1 OR {13403} (( segid " " and resid 112 and name HA )) (( segid " " and resid 71 and name HA )) ASSI {13405} (( segid " " and resid 74 and name HA )) (( segid " " and resid 71 and name HA )) 4.400 2.500 1.600 peak 13405 weight 0.10000E+01 volume 0.97569E-03 ppm1 4.072 ppm2 4.245 CV 1 OR {13405} (( segid " " and resid 73 and name HA )) (( segid " " and resid 71 and name HA )) ASSI {13407} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 71 and name HA )) 4.100 2.100 1.900 peak 13407 weight 0.10000E+01 volume 0.16598E-02 ppm1 4.073 ppm2 3.045 CV 1 OR {13407} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 71 and name HA )) ASSI {13411} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 71 and name HA )) 3.000 1.200 1.200 peak 13411 weight 0.10000E+01 volume 0.31954E-02 ppm1 4.074 ppm2 1.013 CV 1 OR {13411} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 71 and name HA )) ASSI {13412} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 13412 weight 0.10000E+01 volume 0.30193E-02 ppm1 4.074 ppm2 0.804 CV 1 OR {13412} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HA )) OR {13412} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 71 and name HA )) ASSI {13491} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HG2%) 3.400 1.400 1.400 peak 13491 weight 0.10000E+01 volume 0.40241E-02 ppm1 0.625 ppm2 7.874 CV 1 OR {13491} (( segid " " and resid 19 and name HN )) ( segid " " and resid 16 and name HG2%) ASSI {13492} (( segid " " and resid 105 and name HA )) ( segid " " and resid 16 and name HG2%) 3.400 1.500 1.500 peak 13492 weight 0.10000E+01 volume 0.16953E-02 ppm1 0.624 ppm2 4.345 CV 1 OR {13492} (( segid " " and resid 13 and name HA )) ( segid " " and resid 16 and name HG2%) ASSI {13494} (( segid " " and resid 17 and name HA )) ( segid " " and resid 16 and name HG2%) 3.400 1.400 1.400 peak 13494 weight 0.10000E+01 volume 0.22230E-02 ppm1 0.626 ppm2 3.743 CV 1 OR {13494} (( segid " " and resid 20 and name HA )) ( segid " " and resid 16 and name HG2%) ASSI {13616} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 113 and name HB2 )) 3.500 1.500 1.500 peak 13616 weight 0.10000E+01 volume 0.12796E-02 ppm1 3.049 ppm2 0.430 CV 1 OR {13616} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 113 and name HB2 )) ASSI {13620} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB1 )) 3.800 1.800 1.800 peak 13620 weight 0.10000E+01 volume 0.11837E-02 ppm1 2.545 ppm2 9.004 CV 1 OR {13620} (( segid " " and resid 123 and name HN )) (( segid " " and resid 113 and name HB1 )) ASSI {13625} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 113 and name HB1 )) 3.500 1.600 1.600 peak 13625 weight 0.10000E+01 volume 0.14915E-02 ppm1 2.546 ppm2 0.430 CV 1 OR {13625} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 113 and name HB1 )) ASSI {13671} (( segid " " and resid 140 and name HN )) ( segid " " and resid 138 and name HG2%) 4.300 2.300 1.700 peak 13671 weight 0.10000E+01 volume 0.62853E-03 ppm1 0.494 ppm2 8.351 CV 1 OR {13671} (( segid " " and resid 30 and name HN )) ( segid " " and resid 138 and name HG2%) ASSI {13696} (( segid " " and resid 123 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.200 1.300 1.300 peak 13696 weight 0.10000E+01 volume 0.97556E-03 ppm1 3.046 ppm2 9.000 CV 1 OR {13696} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) ASSI {13697} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 13697 weight 0.10000E+01 volume 0.20437E-02 ppm1 3.047 ppm2 4.804 CV 1 OR {13697} (( segid " " and resid 122 and name HA )) (( segid " " and resid 113 and name HB2 )) ASSI {13699} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 13699 weight 0.10000E+01 volume 0.82131E-03 ppm1 2.718 ppm2 1.593 CV 1 OR {13699} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 63 and name HB2 )) OR {13699} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 63 and name HB1 )) ASSI {13701} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB2 )) 2.600 0.800 0.800 peak 13701 weight 0.10000E+01 volume 0.77800E-02 ppm1 2.708 ppm2 8.548 CV 1 OR {13701} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) OR {13701} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB1 )) ASSI {13704} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 83 and name HB2 )) 4.600 2.700 1.400 peak 13704 weight 0.10000E+01 volume 0.57461E-03 ppm1 2.700 ppm2 1.774 CV 1 OR {13704} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 83 and name HB1 )) OR {13704} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 83 and name HB2 )) OR {13704} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 83 and name HB1 )) ASSI {13715} (( segid " " and resid 115 and name HG )) (( segid " " and resid 113 and name HB1 )) 4.100 2.100 1.900 peak 13715 weight 0.10000E+01 volume 0.63447E-03 ppm1 2.548 ppm2 1.652 CV 1 OR {13715} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 113 and name HB1 )) OR {13715} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 113 and name HB1 )) OR {13715} (( segid " " and resid 68 and name HB )) (( segid " " and resid 113 and name HB1 )) ASSI {13767} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 138 and name HG2%) 3.600 1.600 1.600 peak 13767 weight 0.10000E+01 volume 0.88616E-03 ppm1 0.497 ppm2 2.955 CV 1 OR {13767} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 138 and name HG2%) OR {13767} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 138 and name HG2%) ASSI {13768} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 138 and name HG2%) 3.100 1.200 1.200 peak 13768 weight 0.10000E+01 volume 0.31895E-02 ppm1 0.495 ppm2 7.299 CV 1 OR {13768} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 138 and name HG2%) ASSI {13784} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 75 and name HB2 )) 4.600 2.600 1.400 peak 13784 weight 0.10000E+01 volume 0.64716E-03 ppm1 3.560 ppm2 2.696 CV 1 OR {13784} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 75 and name HB2 )) OR {13784} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 75 and name HB2 )) ASSI {13848} (( segid " " and resid 123 and name HN )) ( segid " " and resid 125 and name HD1%) 4.000 2.000 2.000 peak 13848 weight 0.10000E+01 volume 0.15716E-02 ppm1 0.648 ppm2 9.003 CV 1 OR {13848} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HD1%) ASSI {13857} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HD1%) 3.300 1.400 1.400 peak 13857 weight 0.10000E+01 volume 0.33495E-02 ppm1 0.647 ppm2 4.824 CV 1 OR {13857} (( segid " " and resid 107 and name HA )) ( segid " " and resid 16 and name HG2%) OR {13857} (( segid " " and resid 106 and name HA )) ( segid " " and resid 16 and name HG2%) OR {13857} (( segid " " and resid 113 and name HA )) ( segid " " and resid 125 and name HD1%) ASSI {13858} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 125 and name HD1%) 3.400 1.400 1.400 peak 13858 weight 0.10000E+01 volume 0.30216E-02 ppm1 0.647 ppm2 3.039 CV 1 OR {13858} (( segid " " and resid 54 and name HA )) ( segid " " and resid 125 and name HD1%) ASSI {13861} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 16 and name HG2%) 2.200 0.600 0.600 peak 13861 weight 0.10000E+01 volume 0.17313E-01 ppm1 0.647 ppm2 1.688 CV 1 OR {13861} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HD1%) OR {13861} (( segid " " and resid 54 and name HB )) ( segid " " and resid 125 and name HD1%) OR {13861} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 16 and name HG2%) OR {13861} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 16 and name HG2%) ASSI {13863} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 16 and name HG2%) 1.700 0.400 0.500 peak 13863 weight 0.10000E+01 volume 0.27058E-01 ppm1 0.647 ppm2 0.864 CV 1 OR {13863} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 125 and name HD1%) OR {13863} (( segid " " and resid 125 and name HG12)) ( segid " " and resid 125 and name HD1%) OR {13863} (( segid " " and resid 125 and name HG11)) ( segid " " and resid 125 and name HD1%) ASSI {13960} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.400 1.500 1.500 peak 13960 weight 0.10000E+01 volume 0.14402E-02 ppm1 1.585 ppm2 7.666 CV 1 OR {13960} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI {13966} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 13966 weight 0.10000E+01 volume 0.23658E-02 ppm1 1.340 ppm2 3.616 CV 1 OR {13966} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HB1 )) ASSI {13979} (( segid " " and resid 100 and name HN )) (( segid " " and resid 96 and name HA )) 2.800 1.000 1.000 peak 13979 weight 0.10000E+01 volume 0.35916E-02 ppm1 4.096 ppm2 7.904 CV 1 OR {13979} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) OR {13979} (( segid " " and resid 95 and name HN )) (( segid " " and resid 96 and name HA )) ASSI {13985} (( segid " " and resid 99 and name HG )) (( segid " " and resid 96 and name HA )) 2.900 1.100 1.100 peak 13985 weight 0.10000E+01 volume 0.40518E-02 ppm1 4.095 ppm2 1.935 CV 1 OR {13985} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 96 and name HA )) ASSI {13987} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 96 and name HA )) 2.900 1.000 1.000 peak 13987 weight 0.10000E+01 volume 0.40648E-02 ppm1 4.095 ppm2 0.276 CV 1 OR {13987} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 96 and name HA )) ASSI {14060} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.300 0.600 0.600 peak 14060 weight 0.10000E+01 volume 0.44531E-02 ppm1 3.898 ppm2 8.257 CV 1 OR {14060} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) ASSI {14064} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HB2 )) 3.400 1.400 1.400 peak 14064 weight 0.10000E+01 volume 0.22199E-02 ppm1 3.899 ppm2 3.510 CV 1 OR {14064} (( segid " " and resid 100 and name HA )) (( segid " " and resid 105 and name HB2 )) ASSI {14072} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.900 1.000 1.000 peak 14072 weight 0.10000E+01 volume 0.48956E-02 ppm1 3.839 ppm2 8.259 CV 1 OR {14072} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI {14074} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 105 and name HB1 )) 3.600 1.600 1.600 peak 14074 weight 0.10000E+01 volume 0.94093E-03 ppm1 3.839 ppm2 7.753 CV 1 OR {14074} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 105 and name HB1 )) ASSI {14078} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HB1 )) 3.500 1.500 1.500 peak 14078 weight 0.10000E+01 volume 0.24735E-02 ppm1 3.839 ppm2 3.507 CV 1 OR {14078} (( segid " " and resid 100 and name HA )) (( segid " " and resid 105 and name HB1 )) OR {14078} (( segid " " and resid 16 and name HA )) (( segid " " and resid 105 and name HB1 )) ASSI {14134} (( segid " " and resid 106 and name HD21)) (( segid " " and resid 105 and name HB2 )) 3.800 1.800 1.800 peak 14134 weight 0.10000E+01 volume 0.84229E-03 ppm1 3.898 ppm2 7.752 CV 1 OR {14134} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 105 and name HB2 )) ASSI {14146} (( segid " " and resid 111 and name HN )) ( segid " " and resid 71 and name HD1%) 4.900 3.000 1.100 peak 14146 weight 0.10000E+01 volume 0.73923E-03 ppm1 0.807 ppm2 8.812 CV 1 OR {14146} (( segid " " and resid 125 and name HN )) ( segid " " and resid 71 and name HD1%) ASSI {14147} (( segid " " and resid 105 and name HN )) ( segid " " and resid 71 and name HD1%) 3.800 1.800 1.800 peak 14147 weight 0.10000E+01 volume 0.11879E-02 ppm1 0.807 ppm2 8.275 CV 1 OR {14147} (( segid " " and resid 104 and name HN )) ( segid " " and resid 71 and name HD1%) ASSI {14148} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HD1%) 4.900 3.000 1.100 peak 14148 weight 0.10000E+01 volume 0.12025E-02 ppm1 0.807 ppm2 7.902 CV 1 OR {14148} (( segid " " and resid 100 and name HN )) ( segid " " and resid 71 and name HD1%) ASSI {14149} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 71 and name HD1%) 3.300 1.400 1.400 peak 14149 weight 0.10000E+01 volume 0.23906E-02 ppm1 0.806 ppm2 7.666 CV 1 OR {14149} (( segid " " and resid 101 and name HN )) ( segid " " and resid 71 and name HD1%) ASSI {14154} (( segid " " and resid 135 and name HA2 )) ( segid " " and resid 71 and name HD1%) 4.900 3.000 1.100 peak 14154 weight 0.10000E+01 volume 0.71681E-03 ppm1 0.805 ppm2 4.860 CV 1 OR {14154} (( segid " " and resid 125 and name HA )) ( segid " " and resid 71 and name HD1%) OR {14154} (( segid " " and resid 112 and name HA )) ( segid " " and resid 71 and name HD1%) OR {14154} (( segid " " and resid 70 and name HA )) ( segid " " and resid 71 and name HD1%) ASSI {14155} (( segid " " and resid 124 and name HA )) ( segid " " and resid 71 and name HD1%) 4.400 2.400 1.600 peak 14155 weight 0.10000E+01 volume 0.17944E-02 ppm1 0.803 ppm2 4.696 CV 1 OR {14155} (( segid " " and resid 111 and name HA )) ( segid " " and resid 71 and name HD1%) ASSI {14158} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 71 and name HD1%) 3.900 1.900 1.900 peak 14158 weight 0.10000E+01 volume 0.11885E-02 ppm1 0.807 ppm2 3.548 CV 1 OR {14158} (( segid " " and resid 100 and name HA )) ( segid " " and resid 71 and name HD1%) ASSI {14159} (( segid " " and resid 109 and name HB1 )) ( segid " " and resid 71 and name HD1%) 3.900 1.900 1.900 peak 14159 weight 0.10000E+01 volume 0.17101E-02 ppm1 0.807 ppm2 2.861 CV 1 OR {14159} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 71 and name HD1%) ASSI {14160} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 71 and name HD1%) 4.300 2.300 1.700 peak 14160 weight 0.10000E+01 volume 0.13108E-02 ppm1 0.807 ppm2 2.688 CV 1 OR {14160} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 71 and name HD1%) ASSI {14404} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB1 )) 3.100 1.200 1.200 peak 14404 weight 0.10000E+01 volume 0.26661E-02 ppm1 2.823 ppm2 4.111 CV 1 OR {14404} (( segid " " and resid 93 and name HA )) (( segid " " and resid 96 and name HB1 )) ASSI {14643} (( segid " " and resid 21 and name HA )) ( segid " " and resid 136 and name HD1%) 4.800 2.800 1.200 peak 14643 weight 0.10000E+01 volume 0.60944E-03 ppm1 0.356 ppm2 3.742 CV 1 OR {14643} (( segid " " and resid 20 and name HA )) ( segid " " and resid 136 and name HD1%) OR {14643} (( segid " " and resid 110 and name HD2 )) ( segid " " and resid 136 and name HD1%) ASSI {14647} (( segid " " and resid 104 and name HD2 )) ( segid " " and resid 136 and name HD1%) 3.800 1.800 1.800 peak 14647 weight 0.10000E+01 volume 0.72924E-03 ppm1 0.358 ppm2 1.680 CV 1 OR {14647} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 136 and name HD1%) OR {14647} (( segid " " and resid 71 and name HB )) ( segid " " and resid 136 and name HD1%) OR {14647} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 136 and name HD1%) ASSI {14652} (( segid " " and resid 24 and name HN )) ( segid " " and resid 136 and name HD1%) 4.100 2.100 1.900 peak 14652 weight 0.10000E+01 volume 0.12279E-02 ppm1 0.352 ppm2 7.485 CV 1 OR {14652} (( segid " " and resid 76 and name HN )) ( segid " " and resid 136 and name HD1%) ASSI {14653} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 136 and name HD1%) 2.400 0.700 0.700 peak 14653 weight 0.10000E+01 volume 0.47942E-02 ppm1 0.352 ppm2 7.318 CV 1 OR {14653} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 136 and name HD1%) ASSI {14654} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 136 and name HD1%) 3.000 1.100 1.100 peak 14654 weight 0.10000E+01 volume 0.27733E-02 ppm1 0.352 ppm2 7.152 CV 1 OR {14654} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 136 and name HD1%) ASSI {14680} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 71 and name HB )) 3.300 1.400 1.400 peak 14680 weight 0.10000E+01 volume 0.27928E-02 ppm1 1.695 ppm2 0.624 CV 1 OR {14680} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 71 and name HB )) ASSI {14683} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 71 and name HB )) 2.400 0.700 0.700 peak 14683 weight 0.10000E+01 volume 0.35319E-02 ppm1 1.694 ppm2 0.808 CV 1 OR {14683} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HB )) OR {14683} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 71 and name HB )) ASSI {14701} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 110 and name HA )) 2.600 0.800 0.800 peak 14701 weight 0.10000E+01 volume 0.37472E-02 ppm1 5.221 ppm2 4.702 CV 1 OR {14701} (( segid " " and resid 124 and name HA )) (( segid " " and resid 110 and name HA )) ASSI {14705} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 110 and name HA )) 3.900 1.900 1.900 peak 14705 weight 0.10000E+01 volume 0.83554E-03 ppm1 5.222 ppm2 2.177 CV 1 OR {14705} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 110 and name HA )) ASSI {14709} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 110 and name HA )) 3.900 1.900 1.900 peak 14709 weight 0.10000E+01 volume 0.20735E-02 ppm1 5.222 ppm2 0.815 CV 1 OR {14709} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 110 and name HA )) ASSI {14738} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB )) 4.000 2.000 2.000 peak 14738 weight 0.10000E+01 volume 0.74637E-03 ppm1 1.695 ppm2 7.906 CV 1 OR {14738} (( segid " " and resid 112 and name HN )) (( segid " " and resid 71 and name HB )) ASSI {14740} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HB )) 4.300 2.300 1.700 peak 14740 weight 0.10000E+01 volume 0.85235E-03 ppm1 1.694 ppm2 4.877 CV 1 OR {14740} (( segid " " and resid 112 and name HA )) (( segid " " and resid 71 and name HB )) ASSI {14741} (( segid " " and resid 111 and name HA )) (( segid " " and resid 71 and name HB )) 3.900 1.900 1.900 peak 14741 weight 0.10000E+01 volume 0.84365E-03 ppm1 1.693 ppm2 4.672 CV 1 OR {14741} (( segid " " and resid 124 and name HA )) (( segid " " and resid 71 and name HB )) ASSI {14749} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 110 and name HA )) 4.200 2.200 1.800 peak 14749 weight 0.10000E+01 volume 0.18827E-02 ppm1 5.221 ppm2 0.636 CV 1 OR {14749} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 110 and name HA )) ASSI {14761} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.600 0.900 0.900 peak 14761 weight 0.10000E+01 volume 0.51108E-02 ppm1 4.113 ppm2 7.503 CV 1 OR {14761} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 76 and name HA )) ASSI {14792} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 81 and name HA )) 3.200 1.300 1.300 peak 14792 weight 0.10000E+01 volume 0.49168E-02 ppm1 4.346 ppm2 1.806 CV 1 OR {14792} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 81 and name HA )) ASSI {14862} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.900 1.900 1.900 peak 14862 weight 0.10000E+01 volume 0.10989E-02 ppm1 4.110 ppm2 7.672 CV 1 OR {14862} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HA )) ASSI {14934} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HB1 )) 4.200 2.300 1.800 peak 14934 weight 0.10000E+01 volume 0.11207E-02 ppm1 3.873 ppm2 1.520 CV 1 OR {14934} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HB2 )) OR {14934} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HB2 )) OR {14934} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HB1 )) OR {14934} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 14 and name HB1 )) ASSI {14973} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HB2 )) 4.600 2.700 1.400 peak 14973 weight 0.10000E+01 volume 0.84518E-03 ppm1 3.054 ppm2 1.753 CV 1 OR {14973} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HB2 )) OR {14973} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HB2 )) OR {14973} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 109 and name HB2 )) ASSI {14974} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 109 and name HB2 )) 3.900 1.900 1.900 peak 14974 weight 0.10000E+01 volume 0.63946E-03 ppm1 3.054 ppm2 1.364 CV 1 OR {14974} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 109 and name HB2 )) ASSI {14988} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HB1 )) 4.600 2.600 1.400 peak 14988 weight 0.10000E+01 volume 0.97904E-03 ppm1 2.820 ppm2 1.756 CV 1 OR {14988} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 109 and name HB1 )) OR {14988} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HB1 )) OR {14988} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HB1 )) ASSI {14989} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 109 and name HB1 )) 4.500 2.500 1.500 peak 14989 weight 0.10000E+01 volume 0.87554E-03 ppm1 2.821 ppm2 1.344 CV 1 OR {14989} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 109 and name HB1 )) ASSI {15022} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.500 1.600 1.600 peak 15022 weight 0.10000E+01 volume 0.10398E-02 ppm1 4.085 ppm2 7.670 CV 1 OR {15022} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HA )) ASSI {15025} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.500 0.800 0.800 peak 15025 weight 0.10000E+01 volume 0.23996E-02 ppm1 3.995 ppm2 8.200 CV 1 OR {15025} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) OR {15025} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI {15026} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.600 2.700 1.400 peak 15026 weight 0.10000E+01 volume 0.68932E-03 ppm1 3.995 ppm2 7.874 CV 1 OR {15026} (( segid " " and resid 112 and name HN )) (( segid " " and resid 73 and name HB2 )) OR {15026} (( segid " " and resid 112 and name HN )) (( segid " " and resid 73 and name HB1 )) OR {15026} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI {15030} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HB1 )) 4.900 3.000 1.100 peak 15030 weight 0.10000E+01 volume 0.10652E-02 ppm1 3.999 ppm2 0.976 CV 1 OR {15030} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HB2 )) OR {15030} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 73 and name HB2 )) ASSI {15055} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB )) 2.600 0.900 0.900 peak 15055 weight 0.10000E+01 volume 0.38270E-02 ppm1 1.799 ppm2 3.685 CV 1 OR {15055} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HB )) ASSI {15099} (( segid " " and resid 98 and name HG2 )) ( segid " " and resid 103 and name HD1%) 3.600 1.700 1.700 peak 15099 weight 0.10000E+01 volume 0.14029E-02 ppm1 0.608 ppm2 1.467 CV 1 OR {15099} (( segid " " and resid 98 and name HG1 )) ( segid " " and resid 103 and name HD1%) OR {15099} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 103 and name HD1%) ASSI {15145} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 124 and name HA )) 3.400 1.400 1.400 peak 15145 weight 0.10000E+01 volume 0.19409E-02 ppm1 4.672 ppm2 0.611 CV 1 OR {15145} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 124 and name HA )) ASSI {15157} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 14 and name HA )) 3.900 1.900 1.900 peak 15157 weight 0.10000E+01 volume 0.20293E-02 ppm1 4.075 ppm2 0.818 CV 1 OR {15157} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 14 and name HA )) ASSI {15159} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 15159 weight 0.10000E+01 volume 0.10364E-02 ppm1 4.062 ppm2 7.848 CV 1 OR {15159} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HA )) ASSI {15195} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 36 and name HA )) 4.400 2.400 1.600 peak 15195 weight 0.10000E+01 volume 0.72535E-03 ppm1 5.242 ppm2 2.938 CV 1 OR {15195} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 36 and name HA )) OR {15195} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 36 and name HA )) OR {15195} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI {15285} (( segid " " and resid 35 and name HN )) ( segid " " and resid 29 and name HD% ) 4.200 2.200 1.800 peak 15285 weight 0.10000E+01 volume 0.72018E-03 ppm1 7.220 ppm2 8.029 CV 1 OR {15285} (( segid " " and resid 78 and name HN )) ( segid " " and resid 29 and name HD% ) ASSI {15289} (( segid " " and resid 30 and name HA )) ( segid " " and resid 29 and name HD% ) 3.100 1.200 1.200 peak 15289 weight 0.10000E+01 volume 0.34035E-02 ppm1 7.220 ppm2 4.725 CV 1 OR {15289} (( segid " " and resid 28 and name HA )) ( segid " " and resid 29 and name HD% ) ASSI {15294} ( segid " " and resid 140 and name HG1%) ( segid " " and resid 29 and name HD% ) 3.300 1.400 1.400 peak 15294 weight 0.10000E+01 volume 0.99363E-03 ppm1 7.221 ppm2 0.973 CV 1 OR {15294} (( segid " " and resid 28 and name HG )) ( segid " " and resid 29 and name HD% ) ASSI {15308} (( segid " " and resid 100 and name HA )) (( segid " " and resid 103 and name HB )) 3.400 1.400 1.400 peak 15308 weight 0.10000E+01 volume 0.21189E-02 ppm1 1.867 ppm2 3.538 CV 1 OR {15308} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HB )) ASSI {15322} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 15322 weight 0.10000E+01 volume 0.40487E-02 ppm1 4.674 ppm2 0.850 CV 1 OR {15322} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HA )) OR {15322} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 124 and name HA )) ASSI {15340} (( segid " " and resid 128 and name HB )) ( segid " " and resid 16 and name HD1%) 2.500 0.800 0.800 peak 15340 weight 0.10000E+01 volume 0.88570E-02 ppm1 0.851 ppm2 4.807 CV 1 OR {15340} (( segid " " and resid 107 and name HA )) ( segid " " and resid 16 and name HD1%) OR {15340} (( segid " " and resid 128 and name HA )) ( segid " " and resid 16 and name HD1%) ASSI {15344} (( segid " " and resid 13 and name HB1 )) ( segid " " and resid 16 and name HD1%) 4.600 2.700 1.400 peak 15344 weight 0.10000E+01 volume 0.95880E-03 ppm1 0.850 ppm2 2.933 CV 1 OR {15344} (( segid " " and resid 11 and name HE1 )) ( segid " " and resid 16 and name HD1%) OR {15344} (( segid " " and resid 11 and name HE2 )) ( segid " " and resid 16 and name HD1%) ASSI {15348} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 16 and name HD1%) 1.900 0.500 0.500 peak 15348 weight 0.10000E+01 volume 0.13459E-01 ppm1 0.850 ppm2 1.693 CV 1 OR {15348} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 16 and name HD1%) OR {15348} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 16 and name HD1%) ASSI {15384} (( segid " " and resid 113 and name HA )) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 15384 weight 0.10000E+01 volume 0.17569E-02 ppm1 4.661 ppm2 4.779 CV 1 OR {15384} (( segid " " and resid 68 and name HA )) (( segid " " and resid 124 and name HA )) ASSI {15391} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.700 0.900 0.900 peak 15391 weight 0.10000E+01 volume 0.47218E-02 ppm1 4.239 ppm2 8.201 CV 1 OR {15391} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) OR {15391} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) ASSI {15393} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 15393 weight 0.10000E+01 volume 0.11381E-02 ppm1 4.239 ppm2 7.504 CV 1 OR {15393} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) ASSI {15448} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 15448 weight 0.10000E+01 volume 0.10616E-02 ppm1 4.996 ppm2 2.187 CV 1 OR {15448} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 141 and name HA )) ASSI {15450} (( segid " " and resid 141 and name HB )) (( segid " " and resid 141 and name HA )) 3.000 1.100 1.100 peak 15450 weight 0.10000E+01 volume 0.22228E-02 ppm1 4.997 ppm2 1.812 CV 1 OR {15450} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 141 and name HA )) OR {15450} (( segid " " and resid 140 and name HB )) (( segid " " and resid 141 and name HA )) ASSI {15457} (( segid " " and resid 124 and name HA )) (( segid " " and resid 112 and name HA )) 2.500 0.800 0.800 peak 15457 weight 0.10000E+01 volume 0.36387E-02 ppm1 4.849 ppm2 4.702 CV 1 OR {15457} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HA )) ASSI {15458} (( segid " " and resid 71 and name HB )) (( segid " " and resid 112 and name HA )) 4.700 2.800 1.300 peak 15458 weight 0.10000E+01 volume 0.57719E-03 ppm1 4.850 ppm2 1.699 CV 1 OR {15458} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 112 and name HA )) ASSI {15486} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 15486 weight 0.10000E+01 volume 0.53995E-02 ppm1 4.347 ppm2 8.242 CV 1 OR {15486} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) ASSI {15488} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 74 and name HA )) 4.200 2.200 1.800 peak 15488 weight 0.10000E+01 volume 0.16608E-02 ppm1 4.241 ppm2 0.974 CV 1 OR {15488} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HA )) ASSI {15592} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 112 and name HA )) 4.600 2.700 1.400 peak 15592 weight 0.10000E+01 volume 0.80170E-03 ppm1 4.854 ppm2 0.997 CV 1 OR {15592} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 112 and name HA )) ASSI {15593} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 112 and name HA )) 4.800 2.900 1.200 peak 15593 weight 0.10000E+01 volume 0.63194E-03 ppm1 4.845 ppm2 3.040 CV 1 OR {15593} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 112 and name HA )) ASSI {15601} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 15601 weight 0.10000E+01 volume 0.13048E-02 ppm1 4.549 ppm2 3.640 CV 1 OR {15601} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HA )) ASSI {15624} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 53 and name HD1%) 3.900 1.900 1.900 peak 15624 weight 0.10000E+01 volume 0.10019E-02 ppm1 0.987 ppm2 2.084 CV 1 OR {15624} (( segid " " and resid 49 and name HB )) ( segid " " and resid 53 and name HD1%) ASSI {15662} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HB1 )) 4.100 2.100 1.900 peak 15662 weight 0.10000E+01 volume 0.12219E-02 ppm1 2.938 ppm2 7.805 CV 1 OR {15662} (( segid " " and resid 89 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI {15671} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 13 and name HB2 )) 3.400 1.500 1.500 peak 15671 weight 0.10000E+01 volume 0.28501E-02 ppm1 2.585 ppm2 0.835 CV 1 OR {15671} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 13 and name HB2 )) OR {15671} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HB2 )) ASSI {15741} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.600 1.600 1.600 peak 15741 weight 0.10000E+01 volume 0.75522E-03 ppm1 2.945 ppm2 8.450 CV 1 OR {15741} (( segid " " and resid 90 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI {15742} (( segid " " and resid 90 and name HA )) (( segid " " and resid 85 and name HB2 )) 4.000 2.000 2.000 peak 15742 weight 0.10000E+01 volume 0.14444E-02 ppm1 2.942 ppm2 4.719 CV 1 OR {15742} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HB2 )) ASSI {15744} (( segid " " and resid 16 and name HB )) (( segid " " and resid 13 and name HB1 )) 4.700 2.700 1.300 peak 15744 weight 0.10000E+01 volume 0.61786E-03 ppm1 2.946 ppm2 1.993 CV 1 OR {15744} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 85 and name HB2 )) OR {15744} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 85 and name HB2 )) ASSI {15746} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 85 and name HB2 )) 2.800 1.000 1.000 peak 15746 weight 0.10000E+01 volume 0.25079E-02 ppm1 2.941 ppm2 0.825 CV 1 OR {15746} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 13 and name HB1 )) OR {15746} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HB1 )) ASSI {15796} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 39 and name HA )) 4.500 2.500 1.500 peak 15796 weight 0.10000E+01 volume 0.80001E-03 ppm1 4.914 ppm2 2.945 CV 1 OR {15796} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 39 and name HA )) OR {15796} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HA )) OR {15796} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 39 and name HA )) OR {15796} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HA )) ASSI {15797} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.500 2.500 1.500 peak 15797 weight 0.10000E+01 volume 0.64719E-03 ppm1 4.715 ppm2 1.914 CV 1 OR {15797} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 68 and name HA )) OR {15797} (( segid " " and resid 112 and name HB )) (( segid " " and resid 68 and name HA )) ASSI {15833} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 85 and name HB1 )) 4.000 2.000 2.000 peak 15833 weight 0.10000E+01 volume 0.91140E-03 ppm1 3.167 ppm2 6.622 CV 1 OR {15833} (( segid " " and resid 90 and name HD22)) (( segid " " and resid 85 and name HB1 )) ASSI {15839} (( segid " " and resid 90 and name HD22)) (( segid " " and resid 85 and name HB2 )) 4.700 2.700 1.300 peak 15839 weight 0.10000E+01 volume 0.85081E-03 ppm1 2.967 ppm2 6.622 CV 1 OR {15839} ( segid " " and resid 85 and name HE% ) (( segid " " and resid 85 and name HB2 )) ASSI {15852} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 16 and name HB )) 4.700 2.800 1.300 peak 15852 weight 0.10000E+01 volume 0.65077E-03 ppm1 1.999 ppm2 2.957 CV 1 OR {15852} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 16 and name HB )) OR {15852} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 16 and name HB )) ASSI {15859} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB )) 3.500 1.500 1.500 peak 15859 weight 0.10000E+01 volume 0.83085E-03 ppm1 1.790 ppm2 8.778 CV 1 OR {15859} (( segid " " and resid 31 and name HN )) (( segid " " and resid 140 and name HB )) ASSI {15864} (( segid " " and resid 32 and name HA )) (( segid " " and resid 140 and name HB )) 5.200 3.400 0.800 peak 15864 weight 0.10000E+01 volume 0.65589E-03 ppm1 1.792 ppm2 4.464 CV 1 OR {15864} (( segid " " and resid 31 and name HA )) (( segid " " and resid 140 and name HB )) ASSI {15869} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 140 and name HB )) 4.600 2.700 1.400 peak 15869 weight 0.10000E+01 volume 0.10378E-02 ppm1 1.794 ppm2 1.308 CV 1 OR {15869} (( segid " " and resid 122 and name HB )) (( segid " " and resid 140 and name HB )) ASSI {15874} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 67 and name HB1 )) 3.400 1.500 1.500 peak 15874 weight 0.10000E+01 volume 0.73802E-03 ppm1 1.622 ppm2 0.469 CV 1 OR {15874} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HB1 )) OR {15874} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HB2 )) ASSI {15890} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 15890 weight 0.10000E+01 volume 0.48257E-02 ppm1 4.912 ppm2 0.859 CV 1 OR {15890} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 39 and name HA )) OR {15890} (( segid " " and resid 136 and name HG12)) (( segid " " and resid 39 and name HA )) OR {15890} (( segid " " and resid 136 and name HG11)) (( segid " " and resid 39 and name HA )) ASSI {15895} (( segid " " and resid 69 and name HB )) (( segid " " and resid 68 and name HA )) 4.600 2.600 1.400 peak 15895 weight 0.10000E+01 volume 0.79305E-03 ppm1 4.754 ppm2 1.948 CV 1 OR {15895} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 68 and name HA )) ASSI {15966} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 16 and name HB )) 3.600 1.600 1.600 peak 15966 weight 0.10000E+01 volume 0.35954E-02 ppm1 1.997 ppm2 3.877 CV 1 OR {15966} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 16 and name HB )) OR {15966} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 16 and name HB )) OR {15966} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 16 and name HB )) ASSI {15967} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 16 and name HB )) 2.600 0.800 0.800 peak 15967 weight 0.10000E+01 volume 0.68131E-02 ppm1 2.001 ppm2 1.702 CV 1 OR {15967} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 16 and name HB )) ASSI {16014} (( segid " " and resid 12 and name HB )) (( segid " " and resid 12 and name HA )) 2.900 1.000 1.000 peak 16014 weight 0.10000E+01 volume 0.31281E-02 ppm1 4.690 ppm2 4.267 CV 1 OR {16014} (( segid " " and resid 130 and name HA )) (( segid " " and resid 12 and name HA )) ASSI {16015} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 12 and name HA )) 4.200 2.200 1.800 peak 16015 weight 0.10000E+01 volume 0.13071E-02 ppm1 4.668 ppm2 1.958 CV 1 OR {16015} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 12 and name HA )) OR {16015} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 79 and name HA )) ASSI {16016} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 79 and name HA )) 4.800 2.800 1.200 peak 16016 weight 0.10000E+01 volume 0.59767E-03 ppm1 4.657 ppm2 0.787 CV 1 OR {16016} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 12 and name HA )) ASSI {16121} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 75 and name HE% ) 2.300 0.700 0.700 peak 16121 weight 0.10000E+01 volume 0.90681E-02 ppm1 7.320 ppm2 7.154 CV 1 OR {16121} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 75 and name HE% ) ASSI {16124} (( segid " " and resid 122 and name HA )) ( segid " " and resid 75 and name HE% ) 4.800 2.900 1.200 peak 16124 weight 0.10000E+01 volume 0.55572E-03 ppm1 7.317 ppm2 4.795 CV 1 OR {16124} (( segid " " and resid 28 and name HA )) ( segid " " and resid 75 and name HE% ) OR {16124} (( segid " " and resid 125 and name HA )) ( segid " " and resid 75 and name HE% ) ASSI {16127} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 75 and name HE% ) 3.300 1.400 1.400 peak 16127 weight 0.10000E+01 volume 0.43835E-02 ppm1 7.320 ppm2 2.956 CV 1 OR {16127} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 75 and name HE% ) OR {16127} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 75 and name HE% ) OR {16127} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 75 and name HE% ) ASSI {16128} (( segid " " and resid 136 and name HB )) ( segid " " and resid 75 and name HE% ) 3.500 1.600 1.600 peak 16128 weight 0.10000E+01 volume 0.16947E-02 ppm1 7.321 ppm2 1.892 CV 1 OR {16128} (( segid " " and resid 112 and name HB )) ( segid " " and resid 75 and name HE% ) ASSI {16129} (( segid " " and resid 71 and name HB )) ( segid " " and resid 75 and name HE% ) 4.300 2.300 1.700 peak 16129 weight 0.10000E+01 volume 0.13203E-02 ppm1 7.319 ppm2 1.710 CV 1 OR {16129} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 75 and name HE% ) OR {16129} (( segid " " and resid 21 and name HD1 )) ( segid " " and resid 75 and name HE% ) ASSI {16130} (( segid " " and resid 110 and name HG2 )) ( segid " " and resid 75 and name HE% ) 4.700 2.800 1.300 peak 16130 weight 0.10000E+01 volume 0.78123E-03 ppm1 7.320 ppm2 1.432 CV 1 OR {16130} (( segid " " and resid 110 and name HG1 )) ( segid " " and resid 75 and name HE% ) OR {16130} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 75 and name HE% ) ASSI {16131} (( segid " " and resid 122 and name HB )) ( segid " " and resid 75 and name HE% ) 3.800 1.800 1.800 peak 16131 weight 0.10000E+01 volume 0.11822E-02 ppm1 7.319 ppm2 1.314 CV 1 OR {16131} (( segid " " and resid 114 and name HG2 )) ( segid " " and resid 75 and name HE% ) OR {16131} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 75 and name HE% ) ASSI {16133} ( segid " " and resid 124 and name HG1%) ( segid " " and resid 75 and name HE% ) 3.800 1.800 1.800 peak 16133 weight 0.10000E+01 volume 0.98009E-03 ppm1 7.318 ppm2 0.794 CV 1 OR {16133} ( segid " " and resid 136 and name HG2%) ( segid " " and resid 75 and name HE% ) OR {16133} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 75 and name HE% ) ASSI {16143} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 123 and name HD% ) 4.700 2.700 1.300 peak 16143 weight 0.10000E+01 volume 0.66357E-03 ppm1 6.667 ppm2 0.868 CV 1 OR {16143} ( segid " " and resid 124 and name HG1%) ( segid " " and resid 123 and name HD% ) ASSI {16144} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 123 and name HD% ) 3.600 1.600 1.600 peak 16144 weight 0.10000E+01 volume 0.12934E-02 ppm1 6.667 ppm2 0.466 CV 1 OR {16144} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 123 and name HD% ) ASSI {16207} (( segid " " and resid 37 and name HN )) ( segid " " and resid 75 and name HE% ) 4.100 2.100 1.900 peak 16207 weight 0.10000E+01 volume 0.13474E-02 ppm1 7.322 ppm2 9.391 CV 1 OR {16207} (( segid " " and resid 113 and name HN )) ( segid " " and resid 75 and name HE% ) ASSI {16210} (( segid " " and resid 138 and name HA )) ( segid " " and resid 75 and name HE% ) 4.600 2.700 1.400 peak 16210 weight 0.10000E+01 volume 0.70972E-03 ppm1 7.318 ppm2 4.703 CV 1 OR {16210} (( segid " " and resid 124 and name HA )) ( segid " " and resid 75 and name HE% ) OR {16210} (( segid " " and resid 123 and name HA )) ( segid " " and resid 75 and name HE% ) ASSI {16267} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HG1 )) 2.500 0.800 0.800 peak 16267 weight 0.10000E+01 volume 0.59239E-02 ppm1 2.381 ppm2 1.802 CV 1 OR {16267} (( segid " " and resid 141 and name HB )) (( segid " " and resid 32 and name HG1 )) ASSI {16273} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 140 and name HB )) 3.800 1.800 1.800 peak 16273 weight 0.10000E+01 volume 0.87562E-03 ppm1 1.789 ppm2 2.204 CV 1 OR {16273} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 140 and name HB )) OR {16273} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 140 and name HB )) ASSI {16280} (( segid " " and resid 122 and name HB )) (( segid " " and resid 122 and name HA )) 3.100 1.200 1.200 peak 16280 weight 0.10000E+01 volume 0.14675E-02 ppm1 4.823 ppm2 1.297 CV 1 OR {16280} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 122 and name HA )) ASSI {16333} (( segid " " and resid 71 and name HG11)) ( segid " " and resid 75 and name HD% ) 2.900 1.000 1.000 peak 16333 weight 0.10000E+01 volume 0.24512E-02 ppm1 7.664 ppm2 1.337 CV 1 OR {16333} (( segid " " and resid 122 and name HB )) ( segid " " and resid 75 and name HD% ) ASSI {16334} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 75 and name HD% ) 5.000 3.100 1.000 peak 16334 weight 0.10000E+01 volume 0.83840E-03 ppm1 7.663 ppm2 1.011 CV 1 OR {16334} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 75 and name HD% ) ASSI {16415} (( segid " " and resid 142 and name HA )) (( segid " " and resid 32 and name HG1 )) 2.900 1.000 1.000 peak 16415 weight 0.10000E+01 volume 0.50251E-02 ppm1 2.389 ppm2 4.654 CV 1 OR {16415} (( segid " " and resid 142 and name HA )) (( segid " " and resid 32 and name HG2 )) OR {16415} (( segid " " and resid 119 and name HA )) (( segid " " and resid 32 and name HG1 )) ASSI {16453} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 16453 weight 0.10000E+01 volume 0.27902E-02 ppm1 7.665 ppm2 3.076 CV 1 OR {16453} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 75 and name HD% ) ASSI {16455} ( segid " " and resid 100 and name HD2%) ( segid " " and resid 75 and name HD% ) 2.600 0.900 0.900 peak 16455 weight 0.10000E+01 volume 0.26792E-02 ppm1 7.664 ppm2 0.794 CV 1 OR {16455} ( segid " " and resid 71 and name HD1%) ( segid " " and resid 75 and name HD% ) ASSI {16456} ( segid " " and resid 100 and name HD1%) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 16456 weight 0.10000E+01 volume 0.55221E-02 ppm1 7.665 ppm2 0.628 CV 1 OR {16456} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 75 and name HD% ) ASSI {16492} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HG2 )) 1.500 0.300 0.700 peak 16492 weight 0.10000E+01 volume 0.69160E-01 ppm1 2.212 ppm2 2.051 CV 1 OR {16492} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR {16492} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG1 )) ASSI {16496} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 119 and name HG1 )) 3.100 1.200 1.200 peak 16496 weight 0.10000E+01 volume 0.32438E-02 ppm1 2.071 ppm2 0.938 CV 1 OR {16496} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 119 and name HG1 )) OR {16496} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 119 and name HG1 )) ASSI {16623} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) 2.800 1.000 1.000 peak 16623 weight 0.10000E+01 volume 0.65218E-02 ppm1 2.325 ppm2 4.069 CV 1 OR {16623} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG1 )) OR {16623} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG2 )) ASSI {16626} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG2 )) 2.000 0.500 0.500 peak 16626 weight 0.10000E+01 volume 0.25465E-01 ppm1 2.323 ppm2 2.019 CV 1 OR {16626} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HG2 )) OR {16626} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG2 )) OR {16626} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HG1 )) OR {16626} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HG2 )) ASSI {16627} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 38 and name HG1 )) 4.200 2.200 1.800 peak 16627 weight 0.10000E+01 volume 0.15765E-02 ppm1 2.326 ppm2 1.659 CV 1 OR {16627} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 38 and name HG2 )) OR {16627} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 88 and name HG1 )) OR {16627} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 88 and name HG2 )) ASSI {16650} (( segid " " and resid 140 and name HB )) (( segid " " and resid 140 and name HA )) 3.200 1.300 1.300 peak 16650 weight 0.10000E+01 volume 0.21036E-02 ppm1 4.239 ppm2 1.798 CV 1 OR {16650} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 140 and name HA )) OR {16650} (( segid " " and resid 141 and name HB )) (( segid " " and resid 140 and name HA )) ASSI {16688} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG2 )) 3.900 1.900 1.900 peak 16688 weight 0.10000E+01 volume 0.15151E-02 ppm1 2.312 ppm2 8.681 CV 1 OR {16688} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG1 )) OR {16688} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HG1 )) ASSI {16703} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 105 and name HA )) 4.600 2.600 1.400 peak 16703 weight 0.10000E+01 volume 0.65149E-03 ppm1 4.375 ppm2 2.352 CV 1 OR {16703} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 105 and name HA )) OR {16703} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI {16706} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 105 and name HA )) 4.500 2.600 1.500 peak 16706 weight 0.10000E+01 volume 0.67542E-03 ppm1 4.331 ppm2 2.357 CV 1 OR {16706} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 105 and name HA )) OR {16706} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 105 and name HA )) OR {16706} (( segid " " and resid 124 and name HB )) (( segid " " and resid 105 and name HA )) ASSI {16767} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HG1 )) 3.300 1.400 1.400 peak 16767 weight 0.10000E+01 volume 0.39978E-02 ppm1 2.197 ppm2 8.830 CV 1 OR {16767} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HG2 )) OR {16767} (( segid " " and resid 142 and name HN )) (( segid " " and resid 119 and name HG2 )) ASSI {16773} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 142 and name HG1 )) 4.100 2.100 1.900 peak 16773 weight 0.10000E+01 volume 0.16181E-02 ppm1 2.195 ppm2 1.326 CV 1 OR {16773} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 117 and name HG2 )) OR {16773} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 142 and name HG1 )) OR {16773} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 119 and name HG2 )) OR {16773} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 142 and name HG1 )) ASSI {16774} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 119 and name HG2 )) 2.600 0.900 0.900 peak 16774 weight 0.10000E+01 volume 0.12262E-01 ppm1 2.198 ppm2 0.966 CV 1 OR {16774} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 119 and name HG2 )) OR {16774} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 142 and name HG1 )) OR {16774} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 119 and name HG2 )) ASSI {16831} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 16831 weight 0.10000E+01 volume 0.17111E-02 ppm1 4.367 ppm2 7.500 CV 1 OR {16831} (( segid " " and resid 19 and name HE22)) (( segid " " and resid 105 and name HA )) ASSI {16835} (( segid " " and resid 107 and name HN )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 16835 weight 0.10000E+01 volume 0.14748E-02 ppm1 4.362 ppm2 8.009 CV 1 OR {16835} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) ASSI {16836} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 16836 weight 0.10000E+01 volume 0.22687E-02 ppm1 4.364 ppm2 4.097 CV 1 OR {16836} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HA )) OR {16836} (( segid " " and resid 77 and name HA )) (( segid " " and resid 75 and name HA )) ASSI {16837} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HA )) 4.300 2.300 1.700 peak 16837 weight 0.10000E+01 volume 0.64581E-03 ppm1 4.363 ppm2 2.860 CV 1 OR {16837} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 105 and name HA )) ASSI {16840} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 16840 weight 0.10000E+01 volume 0.50169E-02 ppm1 4.342 ppm2 8.261 CV 1 OR {16840} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HA )) ASSI {16841} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 3.100 1.200 1.200 peak 16841 weight 0.10000E+01 volume 0.19816E-02 ppm1 4.346 ppm2 7.318 CV 1 OR {16841} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HA )) ASSI {16844} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 105 and name HA )) 4.200 2.200 1.800 peak 16844 weight 0.10000E+01 volume 0.10892E-02 ppm1 4.346 ppm2 1.810 CV 1 OR {16844} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 105 and name HA )) OR {16844} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 105 and name HA )) OR {16844} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 105 and name HA )) OR {16844} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 105 and name HA )) OR {16844} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI {16845} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 105 and name HA )) 4.600 2.600 1.400 peak 16845 weight 0.10000E+01 volume 0.71230E-03 ppm1 4.348 ppm2 1.690 CV 1 OR {16845} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 105 and name HA )) OR {16845} (( segid " " and resid 71 and name HB )) (( segid " " and resid 105 and name HA )) ASSI {16880} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HG1 )) 3.600 1.600 1.600 peak 16880 weight 0.10000E+01 volume 0.88189E-03 ppm1 2.361 ppm2 0.987 CV 1 OR {16880} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HG2 )) OR {16880} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 101 and name HG1 )) ASSI {16935} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 125 and name HA )) 3.600 1.700 1.700 peak 16935 weight 0.10000E+01 volume 0.15581E-02 ppm1 4.867 ppm2 4.647 CV 1 OR {16935} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HA )) ASSI {16962} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 16962 weight 0.10000E+01 volume 0.31137E-02 ppm1 4.367 ppm2 0.640 CV 1 OR {16962} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI {16965} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.600 0.800 0.800 peak 16965 weight 0.10000E+01 volume 0.42452E-02 ppm1 4.046 ppm2 7.921 CV 1 OR {16965} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HA )) ASSI {16966} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 95 and name HA )) 4.400 2.400 1.600 peak 16966 weight 0.10000E+01 volume 0.55569E-03 ppm1 4.048 ppm2 2.910 CV 1 OR {16966} (( segid " " and resid 95 and name HE1 )) (( segid " " and resid 95 and name HA )) OR {16966} (( segid " " and resid 95 and name HE2 )) (( segid " " and resid 95 and name HA )) ASSI {17013} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG2 )) 3.900 1.900 1.900 peak 17013 weight 0.10000E+01 volume 0.99560E-03 ppm1 2.356 ppm2 8.526 CV 1 OR {17013} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG1 )) OR {17013} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HG2 )) OR {17013} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HG1 )) ASSI {17016} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG1 )) 2.900 1.100 1.100 peak 17016 weight 0.10000E+01 volume 0.37828E-02 ppm1 2.357 ppm2 3.949 CV 1 OR {17016} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG2 )) OR {17016} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 101 and name HG2 )) ASSI {17017} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HG1 )) 1.800 0.400 0.400 peak 17017 weight 0.10000E+01 volume 0.48618E-01 ppm1 2.357 ppm2 2.162 CV 1 OR {17017} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG1 )) OR {17017} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HG2 )) OR {17017} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HG1 )) OR {17017} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG2 )) OR {17017} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HG2 )) ASSI {17018} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 38 and name HG1 )) 4.300 2.300 1.700 peak 17018 weight 0.10000E+01 volume 0.93430E-03 ppm1 2.353 ppm2 1.452 CV 1 OR {17018} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 38 and name HG2 )) OR {17018} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 101 and name HG1 )) OR {17018} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 101 and name HG2 )) OR {17018} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 101 and name HG1 )) OR {17018} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 101 and name HG2 )) ASSI {17042} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HA )) 2.400 0.700 0.700 peak 17042 weight 0.10000E+01 volume 0.48976E-02 ppm1 4.830 ppm2 0.860 CV 1 OR {17042} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HA )) OR {17042} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 125 and name HA )) OR {17042} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 125 and name HA )) ASSI {17047} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 138 and name HA )) 3.800 1.800 1.800 peak 17047 weight 0.10000E+01 volume 0.10294E-02 ppm1 4.674 ppm2 1.956 CV 1 OR {17047} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 138 and name HA )) ASSI {17049} (( segid " " and resid 28 and name HG )) (( segid " " and resid 138 and name HA )) 3.500 1.500 1.500 peak 17049 weight 0.10000E+01 volume 0.64100E-03 ppm1 4.656 ppm2 0.999 CV 1 OR {17049} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 138 and name HA )) OR {17049} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 138 and name HA )) ASSI {17066} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HA )) 2.200 0.600 0.600 peak 17066 weight 0.10000E+01 volume 0.11009E-01 ppm1 4.059 ppm2 1.949 CV 1 OR {17066} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 95 and name HA )) OR {17066} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 95 and name HA )) ASSI {17134} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 105 and name HA )) 3.900 1.900 1.900 peak 17134 weight 0.10000E+01 volume 0.19107E-02 ppm1 4.372 ppm2 1.701 CV 1 OR {17134} (( segid " " and resid 71 and name HB )) (( segid " " and resid 105 and name HA )) ASSI {17136} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 88 and name HA )) 3.600 1.700 1.700 peak 17136 weight 0.10000E+01 volume 0.14071E-02 ppm1 4.071 ppm2 2.711 CV 1 OR {17136} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 88 and name HA )) OR {17136} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 88 and name HA )) ASSI {17137} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 88 and name HA )) 3.600 1.600 1.600 peak 17137 weight 0.10000E+01 volume 0.85806E-03 ppm1 4.071 ppm2 1.183 CV 1 OR {17137} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 95 and name HA )) ASSI {17140} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 17140 weight 0.10000E+01 volume 0.58694E-02 ppm1 3.741 ppm2 1.891 CV 1 OR {17140} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HA )) ASSI {17158} (( segid " " and resid 65 and name HA )) ( segid " " and resid 66 and name HD% ) 4.100 2.100 1.900 peak 17158 weight 0.10000E+01 volume 0.79850E-03 ppm1 7.000 ppm2 4.422 CV 1 OR {17158} (( segid " " and resid 67 and name HA )) ( segid " " and resid 66 and name HD% ) ASSI {17161} (( segid " " and resid 115 and name HB1 )) ( segid " " and resid 66 and name HD% ) 3.700 1.700 1.700 peak 17161 weight 0.10000E+01 volume 0.11344E-02 ppm1 6.998 ppm2 1.632 CV 1 OR {17161} (( segid " " and resid 115 and name HG )) ( segid " " and resid 66 and name HD% ) OR {17161} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 66 and name HD% ) OR {17161} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 66 and name HD% ) ASSI {17164} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 66 and name HD% ) 4.000 2.000 2.000 peak 17164 weight 0.10000E+01 volume 0.17480E-02 ppm1 7.001 ppm2 0.463 CV 1 OR {17164} ( segid " " and resid 54 and name HG2%) ( segid " " and resid 66 and name HD% ) ASSI {17192} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 17192 weight 0.10000E+01 volume 0.43945E-02 ppm1 3.984 ppm2 8.267 CV 1 OR {17192} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) OR {17192} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) ASSI {17194} (( segid " " and resid 96 and name HB1 )) (( segid " " and resid 97 and name HA )) 4.000 2.000 2.000 peak 17194 weight 0.10000E+01 volume 0.64023E-03 ppm1 3.980 ppm2 2.847 CV 1 OR {17194} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 101 and name HA )) ASSI {17196} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 17196 weight 0.10000E+01 volume 0.69771E-02 ppm1 3.985 ppm2 1.643 CV 1 OR {17196} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 104 and name HA )) ASSI {17197} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 2.500 0.800 0.800 peak 17197 weight 0.10000E+01 volume 0.52731E-02 ppm1 3.980 ppm2 1.305 CV 1 OR {17197} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) OR {17197} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 104 and name HA )) ASSI {17198} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 17198 weight 0.10000E+01 volume 0.26464E-02 ppm1 3.983 ppm2 0.638 CV 1 OR {17198} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HA )) OR {17198} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 97 and name HA )) ASSI {17205} (( segid " " and resid 92 and name HB )) (( segid " " and resid 89 and name HA )) 1.700 0.300 0.500 peak 17205 weight 0.10000E+01 volume 0.37751E-02 ppm1 3.882 ppm2 2.363 CV 1 OR {17205} (( segid " " and resid 93 and name HB )) (( segid " " and resid 89 and name HA )) ASSI {17212} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HA )) 2.600 0.900 0.900 peak 17212 weight 0.10000E+01 volume 0.19445E-02 ppm1 3.742 ppm2 7.549 CV 1 OR {17212} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) ASSI {17234} ( segid " " and resid 125 and name HG2%) ( segid " " and resid 40 and name HD% ) 3.700 1.700 1.700 peak 17234 weight 0.10000E+01 volume 0.88204E-03 ppm1 6.064 ppm2 0.846 CV 1 OR {17234} ( segid " " and resid 39 and name HG1%) ( segid " " and resid 40 and name HD% ) ASSI {17240} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HG1 )) 4.500 2.500 1.500 peak 17240 weight 0.10000E+01 volume 0.86202E-03 ppm1 2.297 ppm2 8.279 CV 1 OR {17240} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HG2 )) OR {17240} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HG2 )) OR {17240} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HG1 )) ASSI {17243} (( segid " " and resid 19 and name HA )) (( segid " " and resid 18 and name HG2 )) 2.700 0.900 0.900 peak 17243 weight 0.10000E+01 volume 0.86359E-02 ppm1 2.297 ppm2 4.019 CV 1 OR {17243} (( segid " " and resid 19 and name HA )) (( segid " " and resid 18 and name HG1 )) OR {17243} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG2 )) OR {17243} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG1 )) OR {17243} (( segid " " and resid 22 and name HA )) (( segid " " and resid 18 and name HG1 )) ASSI {17247} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 18 and name HG2 )) 4.500 2.500 1.500 peak 17247 weight 0.10000E+01 volume 0.12084E-02 ppm1 2.299 ppm2 1.520 CV 1 OR {17247} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HG1 )) OR {17247} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HG2 )) OR {17247} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 18 and name HG2 )) OR {17247} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HG1 )) OR {17247} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HG2 )) OR {17247} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 18 and name HG2 )) OR {17247} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 18 and name HG2 )) OR {17247} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 18 and name HG1 )) ASSI {17264} (( segid " " and resid 79 and name HB )) (( segid " " and resid 97 and name HA )) 4.800 2.800 1.200 peak 17264 weight 0.10000E+01 volume 0.68305E-03 ppm1 3.930 ppm2 4.429 CV 1 OR {17264} (( segid " " and resid 72 and name HA )) (( segid " " and resid 97 and name HA )) ASSI {17298} ( segid " " and resid 123 and name HE% ) ( segid " " and resid 40 and name HD% ) 4.400 2.400 1.600 peak 17298 weight 0.10000E+01 volume 0.91516E-03 ppm1 6.062 ppm2 6.526 CV 1 OR {17298} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 40 and name HD% ) ASSI {17333} (( segid " " and resid 105 and name HA )) (( segid " " and resid 104 and name HA )) 4.400 2.500 1.600 peak 17333 weight 0.10000E+01 volume 0.77703E-03 ppm1 3.986 ppm2 4.330 CV 1 OR {17333} (( segid " " and resid 24 and name HA )) (( segid " " and resid 104 and name HA )) ASSI {17335} (( segid " " and resid 105 and name HA )) (( segid " " and resid 104 and name HA )) 4.600 2.700 1.400 peak 17335 weight 0.10000E+01 volume 0.66344E-03 ppm1 3.956 ppm2 4.382 CV 1 OR {17335} (( segid " " and resid 105 and name HA )) (( segid " " and resid 101 and name HA )) ASSI {17337} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 97 and name HA )) 4.200 2.300 1.800 peak 17337 weight 0.10000E+01 volume 0.72354E-03 ppm1 3.936 ppm2 7.502 CV 1 OR {17337} (( segid " " and resid 76 and name HN )) (( segid " " and resid 97 and name HA )) OR {17337} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HA )) ASSI {17338} (( segid " " and resid 105 and name HA )) (( segid " " and resid 101 and name HA )) 4.700 2.800 1.300 peak 17338 weight 0.10000E+01 volume 0.67071E-03 ppm1 3.939 ppm2 4.324 CV 1 OR {17338} (( segid " " and resid 75 and name HA )) (( segid " " and resid 97 and name HA )) ASSI {17342} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 97 and name HA )) 2.400 0.700 0.700 peak 17342 weight 0.10000E+01 volume 0.66291E-02 ppm1 3.941 ppm2 2.373 CV 1 OR {17342} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HA )) OR {17342} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HA )) ASSI {17343} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 97 and name HA )) 3.400 1.400 1.400 peak 17343 weight 0.10000E+01 volume 0.18582E-02 ppm1 3.946 ppm2 1.460 CV 1 OR {17343} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 101 and name HA )) OR {17343} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 101 and name HA )) OR {17343} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HA )) ASSI {17345} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HA )) 4.000 2.000 2.000 peak 17345 weight 0.10000E+01 volume 0.70432E-03 ppm1 3.948 ppm2 1.004 CV 1 OR {17345} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 101 and name HA )) ASSI {17383} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB )) 2.300 0.600 0.600 peak 17383 weight 0.10000E+01 volume 0.50387E-02 ppm1 1.983 ppm2 8.199 CV 1 OR {17383} (( segid " " and resid 74 and name HN )) (( segid " " and resid 69 and name HB )) ASSI {17385} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HB )) 3.800 1.800 1.800 peak 17385 weight 0.10000E+01 volume 0.11514E-02 ppm1 1.991 ppm2 4.879 CV 1 OR {17385} (( segid " " and resid 112 and name HA )) (( segid " " and resid 69 and name HB )) ASSI {17388} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 69 and name HB )) 4.500 2.500 1.500 peak 17388 weight 0.10000E+01 volume 0.58799E-03 ppm1 1.983 ppm2 2.884 CV 1 OR {17388} (( segid " " and resid 114 and name HD1 )) (( segid " " and resid 69 and name HB )) OR {17388} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 69 and name HB )) ASSI {17397} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HB )) 4.300 2.300 1.700 peak 17397 weight 0.10000E+01 volume 0.11094E-02 ppm1 1.977 ppm2 1.673 CV 1 OR {17397} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HB )) OR {17397} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 69 and name HB )) OR {17397} (( segid " " and resid 71 and name HB )) (( segid " " and resid 69 and name HB )) OR {17397} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 69 and name HB )) ASSI {17430} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 3.300 1.300 1.300 peak 17430 weight 0.10000E+01 volume 0.15816E-02 ppm1 3.948 ppm2 8.527 CV 1 OR {17430} (( segid " " and resid 21 and name HN )) (( segid " " and resid 104 and name HA )) ASSI {17434} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HA )) 4.000 2.000 2.000 peak 17434 weight 0.10000E+01 volume 0.13412E-02 ppm1 3.943 ppm2 3.535 CV 1 OR {17434} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HA )) OR {17434} (( segid " " and resid 100 and name HA )) (( segid " " and resid 104 and name HA )) OR {17434} (( segid " " and resid 100 and name HA )) (( segid " " and resid 97 and name HA )) OR {17434} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 97 and name HA )) ASSI {17480} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD% ) 2.800 1.000 1.000 peak 17480 weight 0.10000E+01 volume 0.19328E-02 ppm1 6.536 ppm2 2.852 CV 1 OR {17480} (( segid " " and resid 114 and name HD1 )) ( segid " " and resid 74 and name HD% ) ASSI {17482} ( segid " " and resid 112 and name HG2%) ( segid " " and resid 74 and name HD% ) 3.500 1.500 1.500 peak 17482 weight 0.10000E+01 volume 0.12489E-02 ppm1 6.536 ppm2 0.628 CV 1 OR {17482} ( segid " " and resid 122 and name HG1%) ( segid " " and resid 74 and name HD% ) ASSI {17541} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 128 and name HA )) 4.100 2.100 1.900 peak 17541 weight 0.10000E+01 volume 0.14507E-02 ppm1 4.790 ppm2 1.998 CV 1 OR {17541} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 128 and name HA )) ASSI {17551} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 3.500 1.600 1.600 peak 17551 weight 0.10000E+01 volume 0.10126E-02 ppm1 4.593 ppm2 2.919 CV 1 OR {17551} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 69 and name HA )) ASSI {17555} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HA )) 3.900 1.900 1.900 peak 17555 weight 0.10000E+01 volume 0.12477E-02 ppm1 4.590 ppm2 0.577 CV 1 OR {17555} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 69 and name HA )) ASSI {17762} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HA )) 4.000 2.000 2.000 peak 17762 weight 0.10000E+01 volume 0.62894E-03 ppm1 4.046 ppm2 3.480 CV 1 OR {17762} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 22 and name HA )) ASSI {17878} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 29 and name HA )) 3.200 1.200 1.200 peak 17878 weight 0.10000E+01 volume 0.22474E-02 ppm1 4.574 ppm2 7.193 CV 1 OR {17878} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 29 and name HA )) ASSI {17880} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 97 and name HA )) 2.400 0.700 0.700 peak 17880 weight 0.10000E+01 volume 0.57438E-02 ppm1 3.979 ppm2 2.387 CV 1 OR {17880} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 19 and name HA )) OR {17880} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 101 and name HA )) OR {17880} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HA )) ASSI {17882} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name HA )) 3.800 1.800 1.800 peak 17882 weight 0.10000E+01 volume 0.11566E-02 ppm1 3.982 ppm2 0.685 CV 1 OR {17882} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 97 and name HA )) OR {17882} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 101 and name HA )) ASSI {17904} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 29 and name HE% ) 3.800 1.800 1.800 peak 17904 weight 0.10000E+01 volume 0.82983E-03 ppm1 6.751 ppm2 7.634 CV 1 OR {17904} ( segid " " and resid 96 and name HE% ) ( segid " " and resid 29 and name HE% ) ASSI {17905} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 29 and name HE% ) 4.200 2.200 1.800 peak 17905 weight 0.10000E+01 volume 0.86545E-03 ppm1 6.753 ppm2 7.490 CV 1 OR {17905} (( segid " " and resid 76 and name HN )) ( segid " " and resid 29 and name HE% ) ASSI {17908} (( segid " " and resid 30 and name HA )) ( segid " " and resid 29 and name HE% ) 4.300 2.400 1.700 peak 17908 weight 0.10000E+01 volume 0.90866E-03 ppm1 6.756 ppm2 4.722 CV 1 OR {17908} (( segid " " and resid 124 and name HA )) (( segid " " and resid 135 and name HN )) OR {17908} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 135 and name HN )) OR {17908} (( segid " " and resid 123 and name HA )) (( segid " " and resid 135 and name HN )) OR {17908} (( segid " " and resid 28 and name HA )) ( segid " " and resid 29 and name HE% ) ASSI {17913} ( segid " " and resid 78 and name HB% ) ( segid " " and resid 29 and name HE% ) 3.900 1.900 1.900 peak 17913 weight 0.10000E+01 volume 0.10184E-02 ppm1 6.756 ppm2 0.641 CV 1 OR {17913} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 135 and name HN )) ASSI {17914} ( segid " " and resid 20 and name HD1%) (( segid " " and resid 135 and name HN )) 4.000 2.000 2.000 peak 17914 weight 0.10000E+01 volume 0.58717E-03 ppm1 6.755 ppm2 0.508 CV 1 OR {17914} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 135 and name HN )) OR {17914} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 135 and name HN )) ASSI {18054} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.400 2.400 1.600 peak 18054 weight 0.10000E+01 volume 0.86858E-03 ppm1 4.777 ppm2 1.806 CV 1 OR {18054} (( segid " " and resid 53 and name HB )) (( segid " " and resid 50 and name HA )) ASSI {18105} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) 3.700 1.700 1.700 peak 18105 weight 0.10000E+01 volume 0.22865E-02 ppm1 4.058 ppm2 7.549 CV 1 OR {18105} (( segid " " and resid 22 and name HE22)) (( segid " " and resid 22 and name HA )) ASSI {18107} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 18107 weight 0.10000E+01 volume 0.29315E-02 ppm1 4.057 ppm2 2.914 CV 1 OR {18107} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HA )) OR {18107} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HA )) OR {18107} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 15 and name HA )) ASSI {18108} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 2.200 0.600 0.600 peak 18108 weight 0.10000E+01 volume 0.18389E-01 ppm1 4.057 ppm2 2.086 CV 1 OR {18108} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) OR {18108} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) OR {18108} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) ASSI {18165} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 24 and name HA )) 3.800 1.800 1.800 peak 18165 weight 0.10000E+01 volume 0.72807E-03 ppm1 4.265 ppm2 1.694 CV 1 OR {18165} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 24 and name HA )) ASSI {18257} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 18257 weight 0.10000E+01 volume 0.51871E-02 ppm1 4.452 ppm2 1.803 CV 1 OR {18257} (( segid " " and resid 141 and name HB )) (( segid " " and resid 32 and name HA )) ASSI {18266} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 18266 weight 0.10000E+01 volume 0.36251E-02 ppm1 4.277 ppm2 7.550 CV 1 OR {18266} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) OR {18266} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) ASSI {18269} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 24 and name HA )) 4.300 2.300 1.700 peak 18269 weight 0.10000E+01 volume 0.90541E-03 ppm1 4.280 ppm2 2.932 CV 1 OR {18269} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 24 and name HA )) OR {18269} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HA )) OR {18269} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 24 and name HA )) ASSI {18270} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 18270 weight 0.10000E+01 volume 0.21044E-02 ppm1 4.278 ppm2 1.303 CV 1 OR {18270} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 24 and name HA )) OR {18270} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 24 and name HA )) OR {18270} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 24 and name HA )) ASSI {18272} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 24 and name HA )) 3.700 1.800 1.800 peak 18272 weight 0.10000E+01 volume 0.22858E-02 ppm1 4.277 ppm2 0.493 CV 1 OR {18272} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 24 and name HA )) ASSI {18292} (( segid " " and resid 59 and name HN )) (( segid " " and resid 55 and name HA )) 2.900 1.100 1.100 peak 18292 weight 0.10000E+01 volume 0.18969E-02 ppm1 3.604 ppm2 7.645 CV 1 OR {18292} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) ASSI {18463} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HB1 )) 3.100 1.200 1.200 peak 18463 weight 0.10000E+01 volume 0.17466E-02 ppm1 2.423 ppm2 3.642 CV 1 OR {18463} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HB1 )) ASSI {18464} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HG1 )) 2.600 0.900 0.900 peak 18464 weight 0.10000E+01 volume 0.22494E-02 ppm1 2.421 ppm2 3.478 CV 1 OR {18464} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HB1 )) ASSI {18465} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HB1 )) 1.700 0.400 0.500 peak 18465 weight 0.10000E+01 volume 0.22933E-01 ppm1 2.416 ppm2 2.052 CV 1 OR {18465} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HG1 )) ASSI {18474} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HB2 )) 3.700 1.700 1.700 peak 18474 weight 0.10000E+01 volume 0.19228E-02 ppm1 2.058 ppm2 3.645 CV 1 OR {18474} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HB2 )) ASSI {18540} (( segid " " and resid 17 and name HG )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 18540 weight 0.10000E+01 volume 0.46673E-02 ppm1 3.759 ppm2 1.730 CV 1 OR {18540} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 99 and name HA )) ASSI {18541} (( segid " " and resid 103 and name HN )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 18541 weight 0.10000E+01 volume 0.30052E-02 ppm1 3.750 ppm2 8.281 CV 1 OR {18541} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) ASSI {18542} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HA )) 4.000 2.000 2.000 peak 18542 weight 0.10000E+01 volume 0.12452E-02 ppm1 3.745 ppm2 4.052 CV 1 OR {18542} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HA )) OR {18542} (( segid " " and resid 95 and name HA )) (( segid " " and resid 99 and name HA )) ASSI {18543} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 99 and name HA )) 3.200 1.300 1.300 peak 18543 weight 0.10000E+01 volume 0.45959E-02 ppm1 3.749 ppm2 1.811 CV 1 OR {18543} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 17 and name HA )) OR {18543} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 17 and name HA )) OR {18543} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 99 and name HA )) OR {18543} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 17 and name HA )) ASSI {18545} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 18545 weight 0.10000E+01 volume 0.38035E-02 ppm1 3.748 ppm2 0.870 CV 1 OR {18545} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 17 and name HA )) OR {18545} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 17 and name HA )) ASSI {18546} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 18546 weight 0.10000E+01 volume 0.68589E-02 ppm1 3.749 ppm2 0.698 CV 1 OR {18546} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HA )) OR {18546} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 99 and name HA )) ASSI {18685} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 52 and name HA )) 3.200 1.300 1.300 peak 18685 weight 0.10000E+01 volume 0.20359E-02 ppm1 3.785 ppm2 6.557 CV 1 OR {18685} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 52 and name HA )) ASSI {18825} ( segid " " and resid 140 and name HG2%) ( segid " " and resid 74 and name HE% ) 3.600 1.600 1.600 peak 18825 weight 0.10000E+01 volume 0.11241E-02 ppm1 6.363 ppm2 0.943 CV 1 OR {18825} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 74 and name HE% ) ASSI {18826} ( segid " " and resid 122 and name HG1%) ( segid " " and resid 74 and name HE% ) 3.500 1.500 1.500 peak 18826 weight 0.10000E+01 volume 0.11582E-02 ppm1 6.364 ppm2 0.549 CV 1 OR {18826} ( segid " " and resid 138 and name HG2%) ( segid " " and resid 74 and name HE% ) ASSI {18881} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 19 and name HG2 )) 4.500 2.600 1.500 peak 18881 weight 0.10000E+01 volume 0.81798E-03 ppm1 2.492 ppm2 1.629 CV 1 OR {18881} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 19 and name HG2 )) ASSI {18957} ( segid " " and resid 96 and name HD% ) ( segid " " and resid 37 and name HE% ) 3.400 1.400 1.400 peak 18957 weight 0.10000E+01 volume 0.48349E-02 ppm1 7.150 ppm2 7.478 CV 1 OR {18957} (( segid " " and resid 24 and name HN )) ( segid " " and resid 37 and name HE% ) ASSI {18959} ( segid " " and resid 124 and name HG2%) ( segid " " and resid 37 and name HE% ) 4.500 2.500 1.500 peak 18959 weight 0.10000E+01 volume 0.62562E-03 ppm1 7.149 ppm2 0.835 CV 1 OR {18959} ( segid " " and resid 71 and name HD1%) ( segid " " and resid 37 and name HE% ) OR {18959} ( segid " " and resid 124 and name HG1%) ( segid " " and resid 37 and name HE% ) OR {18959} ( segid " " and resid 28 and name HD1%) ( segid " " and resid 37 and name HE% ) ASSI {18969} (( segid " " and resid 81 and name HG2 )) ( segid " " and resid 85 and name HD% ) 4.500 2.600 1.500 peak 18969 weight 0.10000E+01 volume 0.67890E-03 ppm1 6.461 ppm2 1.957 CV 1 OR {18969} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 85 and name HD% ) OR {18969} (( segid " " and resid 89 and name HG1 )) ( segid " " and resid 85 and name HD% ) ASSI {18970} (( segid " " and resid 89 and name HB1 )) ( segid " " and resid 85 and name HD% ) 3.200 1.300 1.300 peak 18970 weight 0.10000E+01 volume 0.91941E-03 ppm1 6.462 ppm2 1.708 CV 1 OR {18970} (( segid " " and resid 82 and name HG2 )) ( segid " " and resid 85 and name HD% ) ASSI {18981} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HG1 )) 2.800 1.000 1.000 peak 18981 weight 0.10000E+01 volume 0.46161E-02 ppm1 2.496 ppm2 3.972 CV 1 OR {18981} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG2 )) ASSI {19050} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.400 1.400 1.400 peak 19050 weight 0.10000E+01 volume 0.13313E-02 ppm1 3.741 ppm2 8.533 CV 1 OR {19050} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HA )) OR {19050} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) ASSI {19051} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 19051 weight 0.10000E+01 volume 0.33904E-02 ppm1 3.744 ppm2 7.895 CV 1 OR {19051} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) ASSI {19052} (( segid " " and resid 102 and name HB )) (( segid " " and resid 99 and name HA )) 3.200 1.200 1.200 peak 19052 weight 0.10000E+01 volume 0.34321E-02 ppm1 3.744 ppm2 2.098 CV 1 OR {19052} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 20 and name HA )) OR {19052} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 17 and name HA )) OR {19052} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 20 and name HA )) OR {19052} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 99 and name HA )) OR {19052} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 17 and name HA )) OR {19052} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 20 and name HA )) OR {19052} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 99 and name HA )) ASSI {19053} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 20 and name HA )) 3.000 1.100 1.100 peak 19053 weight 0.10000E+01 volume 0.54540E-02 ppm1 3.741 ppm2 1.339 CV 1 OR {19053} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 20 and name HA )) OR {19053} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 20 and name HA )) ASSI {19076} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 37 and name HE% ) 2.200 0.600 0.600 peak 19076 weight 0.10000E+01 volume 0.86952E-02 ppm1 7.150 ppm2 7.317 CV 1 OR {19076} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 37 and name HE% ) ASSI {19079} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 37 and name HE% ) 3.200 1.300 1.300 peak 19079 weight 0.10000E+01 volume 0.77296E-03 ppm1 7.149 ppm2 1.720 CV 1 OR {19079} (( segid " " and resid 104 and name HD1 )) ( segid " " and resid 37 and name HE% ) ASSI {19080} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 37 and name HE% ) 3.900 1.900 1.900 peak 19080 weight 0.10000E+01 volume 0.12183E-02 ppm1 7.150 ppm2 1.313 CV 1 OR {19080} (( segid " " and resid 27 and name HG )) ( segid " " and resid 37 and name HE% ) OR {19080} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 37 and name HE% ) ASSI {19176} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) 3.900 1.900 1.900 peak 19176 weight 0.10000E+01 volume 0.76717E-03 ppm1 4.439 ppm2 8.183 CV 1 OR {19176} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HA )) ASSI {19178} (( segid " " and resid 103 and name HB )) (( segid " " and resid 99 and name HA )) 2.200 0.600 0.600 peak 19178 weight 0.10000E+01 volume 0.39729E-02 ppm1 3.734 ppm2 1.923 CV 1 OR {19178} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) OR {19178} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 20 and name HA )) ASSI {19179} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HA )) 3.800 1.800 1.800 peak 19179 weight 0.10000E+01 volume 0.14997E-02 ppm1 3.547 ppm2 3.713 CV 1 OR {19179} (( segid " " and resid 20 and name HA )) (( segid " " and resid 100 and name HA )) ASSI {19183} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.600 1.600 1.600 peak 19183 weight 0.10000E+01 volume 0.13601E-02 ppm1 3.541 ppm2 7.668 CV 1 OR {19183} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 100 and name HA )) ASSI {19184} (( segid " " and resid 101 and name HA )) (( segid " " and resid 100 and name HA )) 4.400 2.400 1.600 peak 19184 weight 0.10000E+01 volume 0.69037E-03 ppm1 3.540 ppm2 3.943 CV 1 OR {19184} (( segid " " and resid 104 and name HA )) (( segid " " and resid 100 and name HA )) OR {19184} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HA )) OR {19184} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 100 and name HA )) ASSI {19188} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 19188 weight 0.10000E+01 volume 0.48705E-02 ppm1 3.541 ppm2 1.813 CV 1 OR {19188} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 100 and name HA )) ASSI {19193} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 100 and name HA )) 4.100 2.100 1.900 peak 19193 weight 0.10000E+01 volume 0.72551E-03 ppm1 3.540 ppm2 0.305 CV 1 OR {19193} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 100 and name HA )) ASSI {19297} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 19 and name HG1 )) 3.700 1.700 1.700 peak 19297 weight 0.10000E+01 volume 0.17484E-02 ppm1 2.390 ppm2 1.659 CV 1 OR {19297} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 19 and name HG1 )) OR {19297} (( segid " " and resid 71 and name HB )) (( segid " " and resid 111 and name HG2 )) OR {19297} (( segid " " and resid 71 and name HB )) (( segid " " and resid 111 and name HG1 )) OR {19297} (( segid " " and resid 125 and name HB )) (( segid " " and resid 111 and name HG2 )) OR {19297} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 111 and name HG2 )) OR {19297} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 22 and name HG1 )) ASSI {19384} (( segid " " and resid 53 and name HB )) (( segid " " and resid 45 and name HA )) 4.200 2.200 1.800 peak 19384 weight 0.10000E+01 volume 0.66889E-03 ppm1 4.656 ppm2 1.785 CV 1 OR {19384} (( segid " " and resid 41 and name HG )) (( segid " " and resid 45 and name HA )) OR {19384} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 45 and name HA )) ASSI {19386} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 45 and name HA )) 3.800 1.800 1.800 peak 19386 weight 0.10000E+01 volume 0.58257E-03 ppm1 4.661 ppm2 1.004 CV 1 OR {19386} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 45 and name HA )) ASSI {19391} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 19391 weight 0.10000E+01 volume 0.78163E-02 ppm1 3.964 ppm2 0.554 CV 1 OR {19391} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HA )) ASSI {19493} (( segid " " and resid 78 and name HN )) (( segid " " and resid 97 and name HG2 )) 4.500 2.600 1.500 peak 19493 weight 0.10000E+01 volume 0.57302E-03 ppm1 2.704 ppm2 7.999 CV 1 OR {19493} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG2 )) ASSI {19498} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HG2 )) 4.300 2.400 1.700 peak 19498 weight 0.10000E+01 volume 0.94121E-03 ppm1 2.705 ppm2 4.189 CV 1 OR {19498} (( segid " " and resid 93 and name HA )) (( segid " " and resid 97 and name HG2 )) ASSI {19515} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HG1 )) 3.600 1.600 1.600 peak 19515 weight 0.10000E+01 volume 0.93469E-03 ppm1 2.508 ppm2 4.188 CV 1 OR {19515} (( segid " " and resid 93 and name HA )) (( segid " " and resid 97 and name HG1 )) OR {19515} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HG2 )) ASSI {19518} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 97 and name HG1 )) 4.100 2.100 1.900 peak 19518 weight 0.10000E+01 volume 0.12953E-02 ppm1 2.507 ppm2 0.820 CV 1 OR {19518} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 19 and name HG2 )) ASSI {19529} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 19 and name HG1 )) 4.200 2.200 1.800 peak 19529 weight 0.10000E+01 volume 0.12677E-02 ppm1 2.377 ppm2 0.827 CV 1 OR {19529} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 19 and name HG1 )) ASSI {19540} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 108 and name HB1 )) 3.800 1.800 1.800 peak 19540 weight 0.10000E+01 volume 0.16929E-02 ppm1 1.774 ppm2 4.726 CV 1 OR {19540} (( segid " " and resid 119 and name HA )) (( segid " " and resid 141 and name HB )) OR {19540} (( segid " " and resid 126 and name HA1 )) (( segid " " and resid 108 and name HB2 )) ASSI {19564} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 136 and name HA )) 4.700 2.800 1.300 peak 19564 weight 0.10000E+01 volume 0.69298E-03 ppm1 5.682 ppm2 2.928 CV 1 OR {19564} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 136 and name HA )) OR {19564} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 136 and name HA )) OR {19564} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 136 and name HA )) OR {19564} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 136 and name HA )) ASSI {19609} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) 2.800 0.900 0.900 peak 19609 weight 0.10000E+01 volume 0.26170E-02 ppm1 3.718 ppm2 1.671 CV 1 OR {19609} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 20 and name HA )) ASSI {19659} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HG2 )) 3.900 1.900 1.900 peak 19659 weight 0.10000E+01 volume 0.85898E-03 ppm1 2.576 ppm2 7.818 CV 1 OR {19659} (( segid " " and resid 18 and name HN )) (( segid " " and resid 22 and name HG2 )) ASSI {19668} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 111 and name HG1 )) 4.100 2.100 1.900 peak 19668 weight 0.10000E+01 volume 0.70245E-03 ppm1 2.401 ppm2 1.341 CV 1 OR {19668} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 111 and name HG2 )) OR {19668} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 111 and name HG2 )) OR {19668} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 111 and name HG1 )) ASSI {19797} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB1 )) 2.500 0.800 0.800 peak 19797 weight 0.10000E+01 volume 0.55293E-02 ppm1 1.745 ppm2 9.212 CV 1 OR {19797} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB2 )) OR {19797} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB2 )) ASSI {20037} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 62 and name HG1 )) 2.900 1.100 1.100 peak 20037 weight 0.10000E+01 volume 0.35734E-02 ppm1 2.365 ppm2 0.560 CV 1 OR {20037} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 62 and name HG2 )) OR {20037} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HG1 )) OR {20037} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HG2 )) ASSI {20049} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 122 and name HB )) 2.400 0.700 0.700 peak 20049 weight 0.10000E+01 volume 0.70608E-02 ppm1 1.292 ppm2 0.546 CV 1 OR {20049} ( segid " " and resid 138 and name HG2%) (( segid " " and resid 122 and name HB )) ASSI {20054} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 122 and name HB )) 3.600 1.600 1.600 peak 20054 weight 0.10000E+01 volume 0.13061E-02 ppm1 1.288 ppm2 0.931 CV 1 OR {20054} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 122 and name HB )) ASSI {20156} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HG1 )) 2.600 0.900 0.900 peak 20156 weight 0.10000E+01 volume 0.49383E-02 ppm1 2.368 ppm2 3.992 CV 1 OR {20156} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG1 )) OR {20156} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG2 )) ASSI {20285} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HG1 )) 1.500 0.300 0.700 peak 20285 weight 0.10000E+01 volume 0.40223E-01 ppm1 2.321 ppm2 2.166 CV 1 OR {20285} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB2 )) OR {20285} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB1 )) ASSI {20286} (( segid " " and resid 28 and name HG )) (( segid " " and resid 36 and name HB1 )) 4.200 2.200 1.800 peak 20286 weight 0.10000E+01 volume 0.67969E-03 ppm1 2.324 ppm2 0.981 CV 1 OR {20286} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HG1 )) OR {20286} (( segid " " and resid 28 and name HG )) (( segid " " and resid 36 and name HB2 )) ASSI {20467} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HG1 )) 2.500 0.800 0.800 peak 20467 weight 0.10000E+01 volume 0.30452E-02 ppm1 2.319 ppm2 3.699 CV 1 OR {20467} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB2 )) OR {20467} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB1 )) OR {20467} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HB2 )) ASSI {20486} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 37 and name HA )) 4.600 2.700 1.400 peak 20486 weight 0.10000E+01 volume 0.70004E-03 ppm1 5.884 ppm2 1.980 CV 1 OR {20486} (( segid " " and resid 39 and name HB )) (( segid " " and resid 37 and name HA )) ASSI {20498} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 113 and name HA )) 4.000 2.000 2.000 peak 20498 weight 0.10000E+01 volume 0.10818E-02 ppm1 4.804 ppm2 0.447 CV 1 OR {20498} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 113 and name HA )) ASSI {20499} (( segid " " and resid 115 and name HG )) (( segid " " and resid 113 and name HA )) 4.200 2.200 1.800 peak 20499 weight 0.10000E+01 volume 0.12394E-02 ppm1 4.792 ppm2 1.646 CV 1 OR {20499} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 113 and name HA )) OR {20499} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 113 and name HA )) OR {20499} (( segid " " and resid 68 and name HB )) (( segid " " and resid 113 and name HA )) OR {20499} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 113 and name HA )) ASSI {20643} (( segid " " and resid 17 and name HA )) (( segid " " and resid 39 and name HB )) 4.200 2.200 1.800 peak 20643 weight 0.10000E+01 volume 0.61256E-03 ppm1 1.971 ppm2 3.738 CV 1 OR {20643} (( segid " " and resid 21 and name HA )) (( segid " " and resid 39 and name HB )) ASSI {20648} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB )) 2.300 0.600 0.600 peak 20648 weight 0.10000E+01 volume 0.40592E-02 ppm1 1.963 ppm2 4.909 CV 1 OR {20648} (( segid " " and resid 135 and name HA2 )) (( segid " " and resid 39 and name HB )) ASSI {20676} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HA )) 4.100 2.100 1.900 peak 20676 weight 0.10000E+01 volume 0.76349E-03 ppm1 5.888 ppm2 2.329 CV 1 OR {20676} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HA )) OR {20676} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 37 and name HA )) OR {20676} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 37 and name HA )) ASSI {20813} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 60 and name HA )) 4.700 2.800 1.300 peak 20813 weight 0.10000E+01 volume 0.72837E-03 ppm1 4.478 ppm2 4.134 CV 1 OR {20813} (( segid " " and resid 58 and name HB )) (( segid " " and resid 60 and name HA )) ASSI {20974} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 60 and name HA )) 4.300 2.300 1.700 peak 20974 weight 0.10000E+01 volume 0.75543E-03 ppm1 4.487 ppm2 2.326 CV 1 OR {20974} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 60 and name HA )) ASSI {20976} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 20976 weight 0.10000E+01 volume 0.29210E-02 ppm1 4.479 ppm2 7.624 CV 1 OR {20976} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) ASSI {21398} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 95 and name HB1 )) 3.500 1.600 1.600 peak 21398 weight 0.10000E+01 volume 0.67440E-03 ppm1 2.120 ppm2 1.184 CV 1 OR {21398} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 95 and name HB2 )) OR {21398} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 95 and name HB1 )) OR {21398} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 95 and name HB2 )) ASSI {21413} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 21413 weight 0.10000E+01 volume 0.26200E-02 ppm1 1.878 ppm2 1.313 CV 1 OR {21413} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB2 )) OR {21413} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 104 and name HB2 )) ASSI {21414} (( segid " " and resid 100 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.700 1.700 1.700 peak 21414 weight 0.10000E+01 volume 0.20411E-02 ppm1 1.871 ppm2 7.914 CV 1 OR {21414} (( segid " " and resid 99 and name HN )) (( segid " " and resid 104 and name HB2 )) ASSI {21418} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 104 and name HB2 )) 4.200 2.200 1.800 peak 21418 weight 0.10000E+01 volume 0.14603E-02 ppm1 1.871 ppm2 0.272 CV 1 OR {21418} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 104 and name HB2 )) ASSI {21420} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB1 )) 2.800 1.000 1.000 peak 21420 weight 0.10000E+01 volume 0.20642E-02 ppm1 1.793 ppm2 1.313 CV 1 OR {21420} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB1 )) OR {21420} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 104 and name HB1 )) ASSI {21421} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 3.500 1.500 1.500 peak 21421 weight 0.10000E+01 volume 0.21408E-02 ppm1 1.786 ppm2 8.249 CV 1 OR {21421} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) ASSI {21481} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 11 and name HA )) 4.700 2.800 1.300 peak 21481 weight 0.10000E+01 volume 0.66925E-03 ppm1 4.410 ppm2 1.206 CV 1 OR {21481} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name HA )) ASSI {21485} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 3.500 1.600 1.600 peak 21485 weight 0.10000E+01 volume 0.20300E-02 ppm1 4.379 ppm2 8.251 CV 1 OR {21485} (( segid " " and resid 143 and name HN )) (( segid " " and resid 117 and name HA )) ASSI {21577} (( segid " " and resid 54 and name HN )) (( segid " " and resid 57 and name HG2 )) 4.400 2.400 1.600 peak 21577 weight 0.10000E+01 volume 0.70380E-03 ppm1 1.719 ppm2 7.344 CV 1 OR {21577} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 82 and name HG2 )) ASSI {21583} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 3.900 1.900 1.900 peak 21583 weight 0.10000E+01 volume 0.11807E-02 ppm1 1.676 ppm2 9.235 CV 1 OR {21583} (( segid " " and resid 69 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI {21584} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 114 and name HB2 )) 4.600 2.600 1.400 peak 21584 weight 0.10000E+01 volume 0.60813E-03 ppm1 1.678 ppm2 6.984 CV 1 OR {21584} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 68 and name HB )) OR {21584} ( segid " " and resid 66 and name HD% ) (( segid " " and resid 114 and name HB1 )) ASSI {21585} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.300 0.600 0.600 peak 21585 weight 0.10000E+01 volume 0.10410E-01 ppm1 1.672 ppm2 0.568 CV 1 OR {21585} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 68 and name HB )) OR {21585} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 114 and name HB2 )) ASSI {21586} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HB2 )) 2.200 0.600 0.600 peak 21586 weight 0.10000E+01 volume 0.97469E-02 ppm1 1.672 ppm2 0.457 CV 1 OR {21586} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) OR {21586} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 114 and name HB1 )) ASSI {21672} ( segid " " and resid 37 and name HD% ) ( segid " " and resid 96 and name HD% ) 4.200 2.200 1.800 peak 21672 weight 0.10000E+01 volume 0.14947E-02 ppm1 7.472 ppm2 7.296 CV 1 OR {21672} (( segid " " and resid 80 and name HN )) ( segid " " and resid 96 and name HD% ) ASSI {21673} ( segid " " and resid 37 and name HE% ) ( segid " " and resid 96 and name HD% ) 3.700 1.700 1.700 peak 21673 weight 0.10000E+01 volume 0.28599E-02 ppm1 7.471 ppm2 7.158 CV 1 OR {21673} ( segid " " and resid 29 and name HD% ) ( segid " " and resid 96 and name HD% ) ASSI {21716} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HB2 )) 2.200 0.600 0.600 peak 21716 weight 0.10000E+01 volume 0.13708E-01 ppm1 1.871 ppm2 2.169 CV 1 OR {21716} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HB1 )) OR {21716} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HB2 )) ASSI {21718} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 114 and name HB1 )) 3.700 1.700 1.700 peak 21718 weight 0.10000E+01 volume 0.11418E-02 ppm1 1.665 ppm2 6.576 CV 1 OR {21718} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 114 and name HB2 )) OR {21718} (( segid " " and resid 56 and name HE22)) (( segid " " and resid 68 and name HB )) ASSI {21722} (( segid " " and resid 69 and name HB )) (( segid " " and resid 114 and name HB1 )) 4.200 2.200 1.800 peak 21722 weight 0.10000E+01 volume 0.79310E-03 ppm1 1.650 ppm2 2.019 CV 1 OR {21722} (( segid " " and resid 69 and name HB )) (( segid " " and resid 114 and name HB2 )) OR {21722} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 114 and name HB2 )) OR {21722} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 114 and name HB1 )) OR {21722} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 114 and name HB2 )) OR {21722} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 114 and name HB2 )) ASSI {21778} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.500 0.800 0.800 peak 21778 weight 0.10000E+01 volume 0.58205E-02 ppm1 4.541 ppm2 7.563 CV 1 OR {21778} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) ASSI {21780} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 2.300 0.700 0.700 peak 21780 weight 0.10000E+01 volume 0.62807E-02 ppm1 4.540 ppm2 2.912 CV 1 OR {21780} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 25 and name HA )) ASSI {21791} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HA )) 2.500 0.800 0.800 peak 21791 weight 0.10000E+01 volume 0.52455E-02 ppm1 4.351 ppm2 1.993 CV 1 OR {21791} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 117 and name HA )) ASSI {21876} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 1.800 0.400 0.400 peak 21876 weight 0.10000E+01 volume 0.21879E-01 ppm1 2.010 ppm2 2.180 CV 1 OR {21876} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HB1 )) ASSI {21880} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 21880 weight 0.10000E+01 volume 0.29661E-02 ppm1 1.976 ppm2 4.737 CV 1 OR {21880} (( segid " " and resid 143 and name HA )) (( segid " " and resid 117 and name HB1 )) ASSI {21881} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 21881 weight 0.10000E+01 volume 0.31253E-02 ppm1 1.962 ppm2 1.731 CV 1 OR {21881} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB2 )) OR {21881} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HB2 )) OR {21881} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 30 and name HB2 )) ASSI {21882} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.500 1.500 1.500 peak 21882 weight 0.10000E+01 volume 0.26850E-02 ppm1 1.867 ppm2 8.831 CV 1 OR {21882} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) OR {21882} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI {21884} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB1 )) 2.700 0.900 0.900 peak 21884 weight 0.10000E+01 volume 0.43760E-02 ppm1 1.871 ppm2 1.526 CV 1 OR {21884} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 142 and name HB1 )) ASSI {21885} (( segid " " and resid 20 and name HG )) (( segid " " and resid 104 and name HB2 )) 3.000 1.100 1.100 peak 21885 weight 0.10000E+01 volume 0.36389E-02 ppm1 1.873 ppm2 0.975 CV 1 OR {21885} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 142 and name HB1 )) OR {21885} (( segid " " and resid 28 and name HG )) (( segid " " and resid 30 and name HB1 )) OR {21885} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 117 and name HB2 )) ASSI {21890} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG2 )) 4.300 2.300 1.700 peak 21890 weight 0.10000E+01 volume 0.12148E-02 ppm1 1.729 ppm2 6.745 CV 1 OR {21890} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HG2 )) ASSI {21901} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB1 )) 2.500 0.800 0.800 peak 21901 weight 0.10000E+01 volume 0.41746E-02 ppm1 1.648 ppm2 4.831 CV 1 OR {21901} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB2 )) OR {21901} (( segid " " and resid 122 and name HA )) (( segid " " and resid 114 and name HB1 )) ASSI {21905} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HB2 )) 2.300 0.600 0.600 peak 21905 weight 0.10000E+01 volume 0.72525E-02 ppm1 1.648 ppm2 1.339 CV 1 OR {21905} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB1 )) OR {21905} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 114 and name HB2 )) OR {21905} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 114 and name HB1 )) OR {21905} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 114 and name HB2 )) ASSI {22031} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB2 )) 3.100 1.200 1.200 peak 22031 weight 0.10000E+01 volume 0.17282E-02 ppm1 2.030 ppm2 8.831 CV 1 OR {22031} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) ASSI {22034} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) 2.800 1.000 1.000 peak 22034 weight 0.10000E+01 volume 0.53514E-02 ppm1 1.998 ppm2 4.893 CV 1 OR {22034} (( segid " " and resid 38 and name HA )) (( segid " " and resid 21 and name HB2 )) OR {22034} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 117 and name HB1 )) ASSI {22042} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 22042 weight 0.10000E+01 volume 0.17329E-02 ppm1 1.893 ppm2 0.633 CV 1 OR {22042} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 104 and name HB2 )) OR {22042} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 104 and name HB2 )) ASSI {22044} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 22044 weight 0.10000E+01 volume 0.19698E-02 ppm1 1.869 ppm2 0.621 CV 1 OR {22044} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 142 and name HB1 )) ASSI {22045} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.600 0.800 0.800 peak 22045 weight 0.10000E+01 volume 0.33469E-02 ppm1 1.854 ppm2 4.676 CV 1 OR {22045} (( segid " " and resid 142 and name HA )) (( segid " " and resid 142 and name HB1 )) ASSI {22085} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name HA )) 4.100 2.100 1.900 peak 22085 weight 0.10000E+01 volume 0.77370E-03 ppm1 5.078 ppm2 1.521 CV 1 OR {22085} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 40 and name HA )) ASSI {22086} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 40 and name HA )) 3.700 1.700 1.700 peak 22086 weight 0.10000E+01 volume 0.13813E-02 ppm1 5.075 ppm2 0.858 CV 1 OR {22086} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 40 and name HA )) OR {22086} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 40 and name HA )) OR {22086} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HA )) ASSI {22088} (( segid " " and resid 38 and name HA )) (( segid " " and resid 40 and name HA )) 3.800 1.800 1.800 peak 22088 weight 0.10000E+01 volume 0.69925E-03 ppm1 5.056 ppm2 4.867 CV 1 OR {22088} (( segid " " and resid 125 and name HA )) (( segid " " and resid 40 and name HA )) ASSI {22204} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HB2 )) 3.400 1.500 1.500 peak 22204 weight 0.10000E+01 volume 0.29658E-02 ppm1 2.010 ppm2 4.023 CV 1 OR {22204} (( segid " " and resid 19 and name HA )) (( segid " " and resid 21 and name HB2 )) ASSI {22205} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 38 and name HB1 )) 3.900 1.900 1.900 peak 22205 weight 0.10000E+01 volume 0.16537E-02 ppm1 2.016 ppm2 0.832 CV 1 OR {22205} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 38 and name HB1 )) OR {22205} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 38 and name HB1 )) ASSI {22208} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HB2 )) 4.500 2.600 1.500 peak 22208 weight 0.10000E+01 volume 0.92501E-03 ppm1 2.002 ppm2 7.539 CV 1 OR {22208} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI {22211} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 22211 weight 0.10000E+01 volume 0.36374E-02 ppm1 2.000 ppm2 3.743 CV 1 OR {22211} (( segid " " and resid 17 and name HA )) (( segid " " and resid 21 and name HB2 )) ASSI {22212} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 21 and name HB2 )) 4.600 2.600 1.400 peak 22212 weight 0.10000E+01 volume 0.57366E-03 ppm1 2.001 ppm2 2.957 CV 1 OR {22212} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 38 and name HB1 )) OR {22212} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 21 and name HB2 )) OR {22212} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 38 and name HB1 )) OR {22212} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HB2 )) ASSI {22214} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HB1 )) 3.600 1.600 1.600 peak 22214 weight 0.10000E+01 volume 0.28176E-02 ppm1 1.895 ppm2 0.817 CV 1 OR {22214} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 104 and name HB2 )) ASSI {22215} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 2.400 0.700 0.700 peak 22215 weight 0.10000E+01 volume 0.29929E-02 ppm1 1.880 ppm2 8.285 CV 1 OR {22215} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) OR {22215} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) ASSI {22217} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 21 and name HB1 )) 3.600 1.700 1.700 peak 22217 weight 0.10000E+01 volume 0.23244E-02 ppm1 1.871 ppm2 0.853 CV 1 OR {22217} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 104 and name HB2 )) OR {22217} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 30 and name HB1 )) OR {22217} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 104 and name HB2 )) ASSI {22220} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HB1 )) 3.600 1.600 1.600 peak 22220 weight 0.10000E+01 volume 0.37405E-02 ppm1 1.825 ppm2 4.600 CV 1 OR {22220} (( segid " " and resid 33 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI {22221} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG1 )) 2.300 0.600 0.600 peak 22221 weight 0.10000E+01 volume 0.22419E-02 ppm1 1.778 ppm2 5.176 CV 1 OR {22221} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) ASSI {22325} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HA )) 4.200 2.200 1.800 peak 22325 weight 0.10000E+01 volume 0.76884E-03 ppm1 4.583 ppm2 1.961 CV 1 OR {22325} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 33 and name HA )) ASSI {22563} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 66 and name HA )) 3.400 1.500 1.500 peak 22563 weight 0.10000E+01 volume 0.24909E-02 ppm1 5.608 ppm2 1.628 CV 1 OR {22563} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 66 and name HA )) OR {22563} (( segid " " and resid 115 and name HG )) (( segid " " and resid 66 and name HA )) OR {22563} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 66 and name HA )) OR {22563} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 66 and name HA )) ASSI {22615} (( segid " " and resid 141 and name HB )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 22615 weight 0.10000E+01 volume 0.14109E-02 ppm1 4.554 ppm2 1.783 CV 1 OR {22615} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 33 and name HA )) OR {22615} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 33 and name HA )) OR {22615} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HA )) ASSI {22796} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 137 and name HA )) 5.000 3.100 1.000 peak 22796 weight 0.10000E+01 volume 0.60808E-03 ppm1 5.707 ppm2 3.027 CV 1 OR {22796} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 137 and name HA )) ASSI {22899} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB1 )) 2.400 0.700 0.700 peak 22899 weight 0.10000E+01 volume 0.56711E-02 ppm1 2.266 ppm2 4.350 CV 1 OR {22899} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) OR {22899} (( segid " " and resid 117 and name HA )) (( segid " " and resid 65 and name HB1 )) ASSI {22901} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 81 and name HB2 )) 3.800 1.800 1.800 peak 22901 weight 0.10000E+01 volume 0.13376E-02 ppm1 2.265 ppm2 3.774 CV 1 OR {22901} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 81 and name HB1 )) OR {22901} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 65 and name HB1 )) ASSI {22906} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 22906 weight 0.10000E+01 volume 0.63739E-02 ppm1 1.976 ppm2 1.675 CV 1 OR {22906} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 21 and name HB2 )) OR {22906} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HB2 )) ASSI {23063} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 108 and name HA )) 4.300 2.300 1.700 peak 23063 weight 0.10000E+01 volume 0.13234E-02 ppm1 4.350 ppm2 3.967 CV 1 OR {23063} (( segid " " and resid 101 and name HA )) (( segid " " and resid 108 and name HA )) OR {23063} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI {23064} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 85 and name HA )) 4.000 2.000 2.000 peak 23064 weight 0.10000E+01 volume 0.27081E-02 ppm1 4.344 ppm2 2.686 CV 1 OR {23064} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 85 and name HA )) OR {23064} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 85 and name HA )) OR {23064} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 85 and name HA )) ASSI {23065} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 2.300 0.700 0.700 peak 23065 weight 0.10000E+01 volume 0.38186E-02 ppm1 4.345 ppm2 2.561 CV 1 OR {23065} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 85 and name HA )) ASSI {23068} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 23068 weight 0.10000E+01 volume 0.44508E-02 ppm1 4.346 ppm2 0.842 CV 1 OR {23068} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 85 and name HA )) ASSI {23073} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 23073 weight 0.10000E+01 volume 0.43691E-02 ppm1 4.334 ppm2 2.947 CV 1 OR {23073} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HA )) OR {23073} (( segid " " and resid 108 and name HE1 )) (( segid " " and resid 108 and name HA )) ASSI {23150} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.900 1.900 1.900 peak 23150 weight 0.10000E+01 volume 0.83198E-03 ppm1 3.135 ppm2 8.581 CV 1 OR {23150} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI {23151} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.500 1.500 1.500 peak 23151 weight 0.10000E+01 volume 0.13921E-02 ppm1 3.134 ppm2 7.621 CV 1 OR {23151} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB2 )) OR {23151} (( segid " " and resid 62 and name HE21)) (( segid " " and resid 60 and name HB2 )) ASSI {23162} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB1 )) 3.700 1.700 1.700 peak 23162 weight 0.10000E+01 volume 0.75371E-03 ppm1 2.683 ppm2 8.577 CV 1 OR {23162} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI {23163} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 3.800 1.800 1.800 peak 23163 weight 0.10000E+01 volume 0.16435E-02 ppm1 2.679 ppm2 7.624 CV 1 OR {23163} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI {23190} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HB2 )) 1.900 0.500 0.500 peak 23190 weight 0.10000E+01 volume 0.24979E-01 ppm1 2.271 ppm2 1.920 CV 1 OR {23190} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HB1 )) OR {23190} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 65 and name HB2 )) ASSI {23195} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 23195 weight 0.10000E+01 volume 0.36543E-02 ppm1 1.963 ppm2 1.729 CV 1 OR {23195} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 127 and name HB1 )) OR {23195} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HB2 )) ASSI {23196} (( segid " " and resid 108 and name HD1 )) (( segid " " and resid 127 and name HB1 )) 4.100 2.100 1.900 peak 23196 weight 0.10000E+01 volume 0.20431E-02 ppm1 1.948 ppm2 1.649 CV 1 OR {23196} (( segid " " and resid 108 and name HD2 )) (( segid " " and resid 127 and name HB1 )) OR {23196} (( segid " " and resid 125 and name HB )) (( segid " " and resid 127 and name HB1 )) ASSI {23269} (( segid " " and resid 141 and name HN )) (( segid " " and resid 33 and name HA )) 4.000 2.000 2.000 peak 23269 weight 0.10000E+01 volume 0.11902E-02 ppm1 4.584 ppm2 8.789 CV 1 OR {23269} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HA )) ASSI {23278} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 85 and name HA )) 3.600 1.600 1.600 peak 23278 weight 0.10000E+01 volume 0.21511E-02 ppm1 4.358 ppm2 2.243 CV 1 OR {23278} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 85 and name HA )) OR {23278} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI {23355} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 60 and name HB2 )) 4.900 3.000 1.100 peak 23355 weight 0.10000E+01 volume 0.64990E-03 ppm1 3.124 ppm2 2.331 CV 1 OR {23355} (( segid " " and resid 56 and name HG1 )) (( segid " " and resid 60 and name HB2 )) OR {23355} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 60 and name HB2 )) ASSI {23379} (( segid " " and resid 86 and name HG1 )) (( segid " " and resid 92 and name HB )) 3.900 1.900 1.900 peak 23379 weight 0.10000E+01 volume 0.57678E-02 ppm1 2.366 ppm2 2.535 CV 1 OR {23379} (( segid " " and resid 86 and name HG1 )) (( segid " " and resid 93 and name HB )) OR {23379} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 92 and name HB )) ASSI {23391} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.600 1.700 1.700 peak 23391 weight 0.10000E+01 volume 0.90983E-03 ppm1 2.289 ppm2 8.656 CV 1 OR {23391} (( segid " " and resid 116 and name HN )) (( segid " " and resid 65 and name HB1 )) OR {23391} (( segid " " and resid 86 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI {23393} (( segid " " and resid 117 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.600 1.600 1.600 peak 23393 weight 0.10000E+01 volume 0.19637E-02 ppm1 2.270 ppm2 8.063 CV 1 OR {23393} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) OR {23393} (( segid " " and resid 117 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI {23456} (( segid " " and resid 93 and name HB )) (( segid " " and resid 90 and name HA )) 3.600 1.700 1.700 peak 23456 weight 0.10000E+01 volume 0.13274E-02 ppm1 4.724 ppm2 2.350 CV 1 OR {23456} (( segid " " and resid 92 and name HB )) (( segid " " and resid 90 and name HA )) OR {23456} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 90 and name HA )) ASSI {23467} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 23467 weight 0.10000E+01 volume 0.40049E-02 ppm1 4.367 ppm2 4.093 CV 1 OR {23467} (( segid " " and resid 134 and name HA )) (( segid " " and resid 13 and name HA )) OR {23467} (( segid " " and resid 15 and name HA )) (( segid " " and resid 13 and name HA )) ASSI {23468} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 23468 weight 0.10000E+01 volume 0.51495E-02 ppm1 4.345 ppm2 1.697 CV 1 OR {23468} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 85 and name HA )) OR {23468} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HA )) OR {23468} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 85 and name HA )) ASSI {23613} (( segid " " and resid 91 and name HA )) (( segid " " and resid 92 and name HB )) 4.500 2.500 1.500 peak 23613 weight 0.10000E+01 volume 0.11678E-02 ppm1 2.388 ppm2 4.322 CV 1 OR {23613} (( segid " " and resid 81 and name HA )) (( segid " " and resid 93 and name HB )) OR {23613} (( segid " " and resid 91 and name HA )) (( segid " " and resid 93 and name HB )) OR {23613} (( segid " " and resid 85 and name HA )) (( segid " " and resid 93 and name HB )) ASSI {23640} (( segid " " and resid 69 and name HN )) (( segid " " and resid 112 and name HB )) 3.700 1.700 1.700 peak 23640 weight 0.10000E+01 volume 0.18240E-02 ppm1 1.870 ppm2 9.222 CV 1 OR {23640} (( segid " " and resid 108 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI {23641} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB )) 3.100 1.200 1.200 peak 23641 weight 0.10000E+01 volume 0.14021E-02 ppm1 1.872 ppm2 4.832 CV 1 OR {23641} (( segid " " and resid 128 and name HA )) (( segid " " and resid 127 and name HB2 )) OR {23641} (( segid " " and resid 113 and name HA )) (( segid " " and resid 112 and name HB )) ASSI {23681} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HA )) 3.200 1.300 1.300 peak 23681 weight 0.10000E+01 volume 0.52495E-02 ppm1 4.673 ppm2 2.610 CV 1 OR {23681} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 90 and name HA )) OR {23681} (( segid " " and resid 86 and name HG1 )) (( segid " " and resid 90 and name HA )) ASSI {23686} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 13 and name HA )) 2.900 1.100 1.100 peak 23686 weight 0.10000E+01 volume 0.10846E-01 ppm1 4.371 ppm2 1.702 CV 1 OR {23686} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI {23688} (( segid " " and resid 17 and name HA )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 23688 weight 0.10000E+01 volume 0.15907E-02 ppm1 4.344 ppm2 3.767 CV 1 OR {23688} (( segid " " and resid 110 and name HD2 )) (( segid " " and resid 108 and name HA )) ASSI {23689} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 108 and name HA )) 3.100 1.200 1.200 peak 23689 weight 0.10000E+01 volume 0.24984E-02 ppm1 4.342 ppm2 1.401 CV 1 OR {23689} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HA )) ASSI {23690} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 23690 weight 0.10000E+01 volume 0.94377E-02 ppm1 4.339 ppm2 9.230 CV 1 OR {23690} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) ASSI {23691} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HA )) 3.700 1.800 1.800 peak 23691 weight 0.10000E+01 volume 0.17367E-02 ppm1 4.338 ppm2 3.659 CV 1 OR {23691} (( segid " " and resid 110 and name HD1 )) (( segid " " and resid 108 and name HA )) ASSI {23692} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 23692 weight 0.10000E+01 volume 0.64440E-02 ppm1 4.328 ppm2 1.759 CV 1 OR {23692} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 108 and name HA )) OR {23692} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI {23693} (( segid " " and resid 108 and name HG1 )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 23693 weight 0.10000E+01 volume 0.27457E-02 ppm1 4.339 ppm2 1.483 CV 1 OR {23693} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 13 and name HA )) OR {23693} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 13 and name HA )) ASSI {23785} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 92 and name HB )) 3.800 1.800 1.800 peak 23785 weight 0.10000E+01 volume 0.17347E-02 ppm1 2.392 ppm2 1.574 CV 1 OR {23785} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 92 and name HB )) ASSI {23791} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 92 and name HB )) 4.800 2.900 1.200 peak 23791 weight 0.10000E+01 volume 0.64468E-03 ppm1 2.371 ppm2 2.723 CV 1 OR {23791} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 92 and name HB )) OR {23791} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 93 and name HB )) OR {23791} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 93 and name HB )) ASSI {23826} (( segid " " and resid 136 and name HB )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 23826 weight 0.10000E+01 volume 0.75832E-03 ppm1 5.752 ppm2 1.909 CV 1 OR {23826} (( segid " " and resid 112 and name HB )) (( segid " " and resid 137 and name HA )) ASSI {23967} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HB )) 2.400 0.700 0.700 peak 23967 weight 0.10000E+01 volume 0.56286E-02 ppm1 2.383 ppm2 0.826 CV 1 OR {23967} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 92 and name HB )) ASSI {23979} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 110 and name HB2 )) 4.700 2.800 1.300 peak 23979 weight 0.10000E+01 volume 0.80651E-03 ppm1 1.787 ppm2 2.617 CV 1 OR {23979} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 110 and name HB1 )) OR {23979} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 110 and name HB2 )) OR {23979} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 110 and name HB1 )) ASSI {24022} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 137 and name HA )) 3.900 1.900 1.900 peak 24022 weight 0.10000E+01 volume 0.12796E-02 ppm1 5.740 ppm2 1.986 CV 1 OR {24022} (( segid " " and resid 39 and name HB )) (( segid " " and resid 137 and name HA )) ASSI {24046} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 30 and name HA )) 4.200 2.200 1.800 peak 24046 weight 0.10000E+01 volume 0.17176E-02 ppm1 4.701 ppm2 1.768 CV 1 OR {24046} (( segid " " and resid 141 and name HB )) (( segid " " and resid 119 and name HA )) OR {24046} (( segid " " and resid 140 and name HB )) (( segid " " and resid 119 and name HA )) OR {24046} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 30 and name HA )) ASSI {24049} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.700 0.900 0.900 peak 24049 weight 0.10000E+01 volume 0.25796E-02 ppm1 4.621 ppm2 8.834 CV 1 OR {24049} (( segid " " and resid 118 and name HN )) (( segid " " and resid 142 and name HA )) ASSI {24053} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 142 and name HA )) 3.500 1.600 1.600 peak 24053 weight 0.10000E+01 volume 0.20082E-02 ppm1 4.620 ppm2 1.809 CV 1 OR {24053} (( segid " " and resid 141 and name HB )) (( segid " " and resid 142 and name HA )) OR {24053} (( segid " " and resid 140 and name HB )) (( segid " " and resid 142 and name HA )) ASSI {24216} (( segid " " and resid 81 and name HA )) (( segid " " and resid 93 and name HB )) 4.800 2.800 1.200 peak 24216 weight 0.10000E+01 volume 0.64036E-03 ppm1 2.374 ppm2 4.382 CV 1 OR {24216} (( segid " " and resid 87 and name HA )) (( segid " " and resid 92 and name HB )) ASSI {24230} (( segid " " and resid 53 and name HG11)) (( segid " " and resid 49 and name HB )) 3.600 1.600 1.600 peak 24230 weight 0.10000E+01 volume 0.88890E-03 ppm1 2.105 ppm2 1.206 CV 1 OR {24230} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 49 and name HB )) ASSI {24233} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 49 and name HB )) 4.600 2.600 1.400 peak 24233 weight 0.10000E+01 volume 0.80342E-03 ppm1 2.095 ppm2 1.156 CV 1 OR {24233} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 102 and name HB )) OR {24233} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 102 and name HB )) ASSI {24297} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HA )) 3.800 1.800 1.800 peak 24297 weight 0.10000E+01 volume 0.20774E-02 ppm1 4.833 ppm2 8.217 CV 1 OR {24297} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HA )) ASSI {24431} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 49 and name HB )) 3.300 1.300 1.300 peak 24431 weight 0.10000E+01 volume 0.30587E-02 ppm1 2.115 ppm2 1.943 CV 1 OR {24431} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 102 and name HB )) ASSI {24435} ( segid " " and resid 49 and name HG1%) (( segid " " and resid 49 and name HB )) 2.200 0.600 0.600 peak 24435 weight 0.10000E+01 volume 0.12379E-01 ppm1 2.109 ppm2 1.005 CV 1 OR {24435} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 102 and name HB )) ASSI {24436} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HB )) 2.200 0.600 0.600 peak 24436 weight 0.10000E+01 volume 0.11441E-01 ppm1 2.111 ppm2 0.704 CV 1 OR {24436} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 49 and name HB )) ASSI {24452} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HB2 )) 3.000 1.100 1.100 peak 24452 weight 0.10000E+01 volume 0.43492E-02 ppm1 1.911 ppm2 1.676 CV 1 OR {24452} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HB2 )) OR {24452} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB2 )) ASSI {24542} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HA )) 4.100 2.100 1.900 peak 24542 weight 0.10000E+01 volume 0.93202E-03 ppm1 4.631 ppm2 1.755 CV 1 OR {24542} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 142 and name HA )) OR {24542} (( segid " " and resid 141 and name HB )) (( segid " " and resid 142 and name HA )) OR {24542} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 86 and name HA )) OR {24542} (( segid " " and resid 140 and name HB )) (( segid " " and resid 142 and name HA )) ASSI {24771} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 54 and name HB )) 4.700 2.800 1.300 peak 24771 weight 0.10000E+01 volume 0.60007E-03 ppm1 1.721 ppm2 2.660 CV 1 OR {24771} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 54 and name HB )) OR {24771} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 54 and name HB )) ASSI {25066} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 34 and name HA )) 3.800 1.800 1.800 peak 25066 weight 0.10000E+01 volume 0.98505E-03 ppm1 5.178 ppm2 2.946 CV 1 OR {25066} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 34 and name HA )) ASSI {25155} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 25155 weight 0.10000E+01 volume 0.24951E-02 ppm1 4.888 ppm2 1.968 CV 1 OR {25155} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 38 and name HA )) ASSI {25164} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 38 and name HA )) 4.400 2.400 1.600 peak 25164 weight 0.10000E+01 volume 0.18996E-02 ppm1 4.886 ppm2 1.836 CV 1 OR {25164} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 38 and name HA )) ASSI {25176} (( segid " " and resid 16 and name HB )) (( segid " " and resid 106 and name HA )) 5.000 3.100 1.000 peak 25176 weight 0.10000E+01 volume 0.71706E-03 ppm1 4.845 ppm2 2.020 CV 1 OR {25176} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 106 and name HA )) ASSI {25177} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HA )) 4.200 2.200 1.800 peak 25177 weight 0.10000E+01 volume 0.16582E-02 ppm1 4.847 ppm2 1.878 CV 1 OR {25177} (( segid " " and resid 103 and name HB )) (( segid " " and resid 106 and name HA )) ASSI {25179} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 106 and name HA )) 3.800 1.800 1.800 peak 25179 weight 0.10000E+01 volume 0.20849E-02 ppm1 4.831 ppm2 1.653 CV 1 OR {25179} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 106 and name HA )) OR {25179} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 106 and name HA )) ASSI {25185} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HA )) 3.200 1.300 1.300 peak 25185 weight 0.10000E+01 volume 0.48979E-02 ppm1 4.817 ppm2 3.945 CV 1 OR {25185} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HA )) OR {25185} (( segid " " and resid 101 and name HA )) (( segid " " and resid 106 and name HA )) ASSI {25188} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 106 and name HA )) 3.900 1.900 1.900 peak 25188 weight 0.10000E+01 volume 0.18702E-02 ppm1 4.811 ppm2 1.860 CV 1 OR {25188} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 106 and name HA )) OR {25188} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HA )) OR {25188} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 106 and name HA )) ASSI {25239} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 25239 weight 0.10000E+01 volume 0.20257E-02 ppm1 4.688 ppm2 2.937 CV 1 OR {25239} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name HA )) OR {25239} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HA )) ASSI {25240} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 111 and name HA )) 4.000 2.000 2.000 peak 25240 weight 0.10000E+01 volume 0.25164E-02 ppm1 4.689 ppm2 1.551 CV 1 OR {25240} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 30 and name HA )) ASSI {25255} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HA )) 2.500 0.800 0.800 peak 25255 weight 0.10000E+01 volume 0.40295E-02 ppm1 4.654 ppm2 2.458 CV 1 OR {25255} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HA )) OR {25255} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HA )) ASSI {25258} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 25258 weight 0.10000E+01 volume 0.19669E-02 ppm1 4.659 ppm2 1.937 CV 1 OR {25258} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 86 and name HA )) ASSI {25260} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 142 and name HA )) 4.600 2.600 1.400 peak 25260 weight 0.10000E+01 volume 0.69073E-03 ppm1 4.656 ppm2 0.599 CV 1 OR {25260} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 111 and name HA )) ASSI {25262} (( segid " " and resid 111 and name HE21)) (( segid " " and resid 111 and name HA )) 3.700 1.800 1.800 peak 25262 weight 0.10000E+01 volume 0.69075E-03 ppm1 4.651 ppm2 7.279 CV 1 OR {25262} (( segid " " and resid 90 and name HD21)) (( segid " " and resid 86 and name HA )) ASSI {25264} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HA )) 2.900 1.100 1.100 peak 25264 weight 0.10000E+01 volume 0.24368E-02 ppm1 4.651 ppm2 2.138 CV 1 OR {25264} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) ASSI {25313} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 25313 weight 0.10000E+01 volume 0.10997E-02 ppm1 4.406 ppm2 0.959 CV 1 OR {25313} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 41 and name HA )) ASSI {25314} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 25314 weight 0.10000E+01 volume 0.15169E-02 ppm1 4.410 ppm2 0.839 CV 1 OR {25314} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HA )) OR {25314} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 41 and name HA )) ASSI {25320} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 25320 weight 0.10000E+01 volume 0.10988E-02 ppm1 4.393 ppm2 0.548 CV 1 OR {25320} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 67 and name HA )) ASSI {25377} (( segid " " and resid 81 and name HD1 )) (( segid " " and resid 94 and name HA )) 4.200 2.200 1.800 peak 25377 weight 0.10000E+01 volume 0.61336E-03 ppm1 4.239 ppm2 3.892 CV 1 OR {25377} (( segid " " and resid 89 and name HA )) (( segid " " and resid 94 and name HA )) ASSI {26401} (( segid " " and resid 136 and name HB )) (( segid " " and resid 124 and name HB )) 3.500 1.500 1.500 peak 26401 weight 0.10000E+01 volume 0.32366E-02 ppm1 2.413 ppm2 1.890 CV 1 OR {26401} (( segid " " and resid 112 and name HB )) (( segid " " and resid 124 and name HB )) ASSI {26405} (( segid " " and resid 126 and name HN )) (( segid " " and resid 124 and name HB )) 4.200 2.200 1.800 peak 26405 weight 0.10000E+01 volume 0.14296E-02 ppm1 2.405 ppm2 8.997 CV 1 OR {26405} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HB )) ASSI {26412} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 124 and name HB )) 3.000 1.100 1.100 peak 26412 weight 0.10000E+01 volume 0.20177E-02 ppm1 2.404 ppm2 1.785 CV 1 OR {26412} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 93 and name HB )) OR {26412} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 124 and name HB )) ASSI {26501} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 102 and name HB )) 3.300 1.300 1.300 peak 26501 weight 0.10000E+01 volume 0.27705E-02 ppm1 2.120 ppm2 2.411 CV 1 OR {26501} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 49 and name HB )) OR {26501} (( segid " " and resid 101 and name HG1 )) (( segid " " and resid 102 and name HB )) ASSI {26530} (( segid " " and resid 95 and name HD2 )) (( segid " " and resid 98 and name HB1 )) 2.800 1.000 1.000 peak 26530 weight 0.10000E+01 volume 0.69687E-02 ppm1 1.976 ppm2 1.591 CV 1 OR {26530} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 98 and name HB1 )) OR {26530} (( segid " " and resid 95 and name HD1 )) (( segid " " and resid 98 and name HB1 )) ASSI {26536} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 98 and name HB1 )) 3.100 1.200 1.200 peak 26536 weight 0.10000E+01 volume 0.38892E-02 ppm1 1.964 ppm2 2.088 CV 1 OR {26536} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 98 and name HB1 )) ASSI {26553} (( segid " " and resid 105 and name HN )) (( segid " " and resid 110 and name HB1 )) 4.600 2.700 1.400 peak 26553 weight 0.10000E+01 volume 0.96376E-03 ppm1 1.788 ppm2 8.242 CV 1 OR {26553} (( segid " " and resid 105 and name HN )) (( segid " " and resid 110 and name HB2 )) OR {26553} (( segid " " and resid 104 and name HN )) (( segid " " and resid 110 and name HB1 )) ASSI {26572} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 54 and name HB )) 3.400 1.400 1.400 peak 26572 weight 0.10000E+01 volume 0.48764E-02 ppm1 1.695 ppm2 1.663 CV 1 OR {26572} (( segid " " and resid 125 and name HB )) (( segid " " and resid 54 and name HB )) ASSI { 385} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 42 and name HE1 )) 4.900 3.000 1.100 peak 385 weight 0.10000E+01 volume 0.75847E-03 ppm1 9.832 ppm2 6.513 CV 1 OR { 385} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 42 and name HE1 )) ASSI { 390} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HE1 )) 3.300 1.300 1.300 peak 390 weight 0.10000E+01 volume 0.27659E-02 ppm1 9.833 ppm2 2.938 CV 1 OR { 390} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 42 and name HE1 )) OR { 390} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HE1 )) ASSI { 434} (( segid " " and resid 45 and name HA )) (( segid " " and resid 42 and name HN )) 5.500 3.700 0.500 peak 434 weight 0.10000E+01 volume 0.44702E-03 ppm1 8.912 ppm2 4.717 CV 1 OR { 434} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 42 and name HN )) ASSI { 441} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 5.200 3.400 0.800 peak 441 weight 0.10000E+01 volume 0.31685E-03 ppm1 8.907 ppm2 8.176 CV 1 OR { 441} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 450} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 42 and name HN )) 4.000 2.000 2.000 peak 450 weight 0.10000E+01 volume 0.18455E-02 ppm1 8.912 ppm2 1.489 CV 1 OR { 450} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 42 and name HN )) OR { 450} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 42 and name HN )) OR { 450} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 42 and name HN )) ASSI { 463} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 42 and name HN )) 4.300 2.300 1.700 peak 463 weight 0.10000E+01 volume 0.25563E-03 ppm1 8.909 ppm2 2.095 CV 1 OR { 463} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HN )) ASSI { 489} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HN )) 3.400 1.500 1.500 peak 489 weight 0.10000E+01 volume 0.22215E-02 ppm1 8.835 ppm2 2.194 CV 1 OR { 489} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HN )) OR { 489} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 142 and name HN )) ASSI { 490} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HN )) 3.100 1.200 1.200 peak 490 weight 0.10000E+01 volume 0.18400E-02 ppm1 8.835 ppm2 2.031 CV 1 OR { 490} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 142 and name HN )) ASSI { 491} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HN )) 3.300 1.300 1.300 peak 491 weight 0.10000E+01 volume 0.32110E-02 ppm1 8.835 ppm2 1.840 CV 1 OR { 491} (( segid " " and resid 140 and name HB )) (( segid " " and resid 142 and name HN )) OR { 491} (( segid " " and resid 141 and name HB )) (( segid " " and resid 142 and name HN )) ASSI { 519} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 115 and name HN )) 3.500 1.500 1.500 peak 519 weight 0.10000E+01 volume 0.28266E-03 ppm1 9.332 ppm2 6.524 CV 1 OR { 519} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 115 and name HN )) ASSI { 521} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HN )) 2.200 0.600 0.600 peak 521 weight 0.10000E+01 volume 0.90459E-02 ppm1 9.331 ppm2 4.856 CV 1 OR { 521} (( segid " " and resid 120 and name HA )) (( segid " " and resid 115 and name HN )) OR { 521} (( segid " " and resid 122 and name HA )) (( segid " " and resid 115 and name HN )) ASSI { 522} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 115 and name HN )) 4.300 2.300 1.700 peak 522 weight 0.10000E+01 volume 0.50417E-03 ppm1 9.330 ppm2 2.758 CV 1 OR { 522} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 115 and name HN )) ASSI { 524} (( segid " " and resid 115 and name HG )) (( segid " " and resid 115 and name HN )) 2.600 0.900 0.900 peak 524 weight 0.10000E+01 volume 0.62672E-02 ppm1 9.331 ppm2 1.634 CV 1 OR { 524} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HN )) OR { 524} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 115 and name HN )) OR { 524} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 115 and name HN )) ASSI { 525} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 115 and name HN )) 3.200 1.300 1.300 peak 525 weight 0.10000E+01 volume 0.99045E-03 ppm1 9.331 ppm2 1.314 CV 1 OR { 525} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 115 and name HN )) ASSI { 528} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 115 and name HN )) 3.800 1.800 1.800 peak 528 weight 0.10000E+01 volume 0.15953E-02 ppm1 9.331 ppm2 0.578 CV 1 OR { 528} ( segid " " and resid 120 and name HD2%) (( segid " " and resid 115 and name HN )) ASSI { 543} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 3.800 1.800 1.800 peak 543 weight 0.10000E+01 volume 0.87060E-03 ppm1 9.102 ppm2 8.916 CV 1 OR { 543} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 562} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 124 and name HN )) 5.500 3.700 0.500 peak 562 weight 0.10000E+01 volume 0.50834E-03 ppm1 9.597 ppm2 6.523 CV 1 OR { 562} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 124 and name HN )) ASSI { 565} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HN )) 2.200 0.600 0.600 peak 565 weight 0.10000E+01 volume 0.73306E-02 ppm1 9.598 ppm2 4.691 CV 1 OR { 565} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HN )) ASSI { 570} (( segid " " and resid 71 and name HB )) (( segid " " and resid 124 and name HN )) 5.300 3.500 0.700 peak 570 weight 0.10000E+01 volume 0.41662E-03 ppm1 9.599 ppm2 1.683 CV 1 OR { 570} (( segid " " and resid 125 and name HB )) (( segid " " and resid 124 and name HN )) OR { 570} (( segid " " and resid 54 and name HB )) (( segid " " and resid 124 and name HN )) OR { 570} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 124 and name HN )) ASSI { 573} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 124 and name HN )) 3.900 1.900 1.900 peak 573 weight 0.10000E+01 volume 0.10970E-02 ppm1 9.598 ppm2 0.642 CV 1 OR { 573} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 124 and name HN )) ASSI { 583} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 4.700 2.700 1.300 peak 583 weight 0.10000E+01 volume 0.53197E-03 ppm1 9.597 ppm2 8.844 CV 1 OR { 583} (( segid " " and resid 138 and name HN )) (( segid " " and resid 124 and name HN )) ASSI { 593} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HN )) 4.700 2.800 1.300 peak 593 weight 0.10000E+01 volume 0.56166E-03 ppm1 9.410 ppm2 6.560 CV 1 OR { 593} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 113 and name HN )) ASSI { 594} (( segid " " and resid 112 and name HA )) (( segid " " and resid 113 and name HN )) 2.200 0.600 0.600 peak 594 weight 0.10000E+01 volume 0.79302E-02 ppm1 9.410 ppm2 4.836 CV 1 OR { 594} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HN )) OR { 594} (( segid " " and resid 122 and name HA )) (( segid " " and resid 113 and name HN )) ASSI { 599} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 113 and name HN )) 5.100 3.300 0.900 peak 599 weight 0.10000E+01 volume 0.51438E-03 ppm1 9.410 ppm2 1.668 CV 1 OR { 599} (( segid " " and resid 115 and name HG )) (( segid " " and resid 113 and name HN )) OR { 599} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 113 and name HN )) OR { 599} (( segid " " and resid 71 and name HB )) (( segid " " and resid 113 and name HN )) OR { 599} (( segid " " and resid 68 and name HB )) (( segid " " and resid 113 and name HN )) ASSI { 601} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 113 and name HN )) 4.100 2.100 1.900 peak 601 weight 0.10000E+01 volume 0.12678E-02 ppm1 9.410 ppm2 0.826 CV 1 OR { 601} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 113 and name HN )) OR { 601} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 113 and name HN )) ASSI { 602} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 113 and name HN )) 3.700 1.700 1.700 peak 602 weight 0.10000E+01 volume 0.21110E-02 ppm1 9.410 ppm2 0.630 CV 1 OR { 602} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 113 and name HN )) ASSI { 603} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 113 and name HN )) 4.800 2.800 1.200 peak 603 weight 0.10000E+01 volume 0.65973E-03 ppm1 9.410 ppm2 0.446 CV 1 OR { 603} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 113 and name HN )) ASSI { 657} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.100 0.500 0.500 peak 657 weight 0.10000E+01 volume 0.91800E-02 ppm1 7.564 ppm2 2.911 CV 1 OR { 657} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 25 and name HN )) ASSI { 659} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 25 and name HN )) 4.700 2.700 1.300 peak 659 weight 0.10000E+01 volume 0.78422E-03 ppm1 7.562 ppm2 1.333 CV 1 OR { 659} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 25 and name HN )) OR { 659} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 25 and name HN )) ASSI { 665} (( segid " " and resid 136 and name HN )) ( segid " " and resid 37 and name HD% ) 6.000 5.000 0.000 peak 665 weight 0.10000E+01 volume 0.27895E-03 ppm1 7.323 ppm2 7.794 CV 1 OR { 665} (( segid " " and resid 23 and name HN )) ( segid " " and resid 37 and name HD% ) ASSI { 711} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 141 and name HN )) 5.100 3.200 0.900 peak 711 weight 0.10000E+01 volume 0.29638E-03 ppm1 8.772 ppm2 1.993 CV 1 OR { 711} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 141 and name HN )) ASSI { 712} (( segid " " and resid 141 and name HB )) (( segid " " and resid 141 and name HN )) 2.700 0.900 0.900 peak 712 weight 0.10000E+01 volume 0.38181E-02 ppm1 8.771 ppm2 1.805 CV 1 OR { 712} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 141 and name HN )) ASSI { 713} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 141 and name HN )) 2.800 1.000 1.000 peak 713 weight 0.10000E+01 volume 0.41431E-02 ppm1 8.770 ppm2 1.024 CV 1 OR { 713} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 141 and name HN )) ASSI { 743} (( segid " " and resid 133 and name HN )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 743 weight 0.10000E+01 volume 0.16640E-02 ppm1 8.278 ppm2 7.815 CV 1 OR { 743} (( segid " " and resid 89 and name HN )) (( segid " " and resid 91 and name HN )) ASSI { 748} (( segid " " and resid 92 and name HB )) (( segid " " and resid 91 and name HN )) 4.100 2.100 1.900 peak 748 weight 0.10000E+01 volume 0.14014E-02 ppm1 8.278 ppm2 2.363 CV 1 OR { 748} (( segid " " and resid 93 and name HB )) (( segid " " and resid 91 and name HN )) ASSI { 749} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 46 and name HN )) 4.800 2.900 1.200 peak 749 weight 0.10000E+01 volume 0.62114E-03 ppm1 8.279 ppm2 1.983 CV 1 OR { 749} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 91 and name HN )) OR { 749} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 91 and name HN )) OR { 749} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 91 and name HN )) ASSI { 751} (( segid " " and resid 133 and name HG )) (( segid " " and resid 46 and name HN )) 3.800 1.800 1.800 peak 751 weight 0.10000E+01 volume 0.16064E-02 ppm1 8.279 ppm2 1.171 CV 1 OR { 751} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 91 and name HN )) ASSI { 779} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 29 and name HN )) 4.300 2.300 1.700 peak 779 weight 0.10000E+01 volume 0.10937E-02 ppm1 9.482 ppm2 7.185 CV 1 OR { 779} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 29 and name HN )) ASSI { 800} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HN )) 3.200 1.300 1.300 peak 800 weight 0.10000E+01 volume 0.19084E-02 ppm1 9.162 ppm2 8.335 CV 1 OR { 800} (( segid " " and resid 140 and name HN )) (( segid " " and resid 120 and name HN )) ASSI { 802} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HN )) 2.700 0.900 0.900 peak 802 weight 0.10000E+01 volume 0.26735E-02 ppm1 9.162 ppm2 4.919 CV 1 OR { 802} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 120 and name HN )) ASSI { 804} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 120 and name HN )) 4.300 2.300 1.700 peak 804 weight 0.10000E+01 volume 0.63862E-03 ppm1 9.161 ppm2 2.198 CV 1 OR { 804} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 120 and name HN )) ASSI { 809} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 120 and name HN )) 3.800 1.800 1.800 peak 809 weight 0.10000E+01 volume 0.32399E-02 ppm1 9.162 ppm2 0.969 CV 1 OR { 809} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 120 and name HN )) OR { 809} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 120 and name HN )) ASSI { 827} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 827 weight 0.10000E+01 volume 0.77140E-02 ppm1 7.352 ppm2 4.603 CV 1 OR { 827} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 833} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 64 and name HN )) 5.500 3.800 0.500 peak 833 weight 0.10000E+01 volume 0.75213E-03 ppm1 7.352 ppm2 1.997 CV 1 OR { 833} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 64 and name HN )) ASSI { 870} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 870 weight 0.10000E+01 volume 0.87846E-03 ppm1 8.308 ppm2 3.664 CV 1 OR { 870} (( segid " " and resid 49 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 897} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 2.100 0.500 0.500 peak 897 weight 0.10000E+01 volume 0.15546E-01 ppm1 8.250 ppm2 4.382 CV 1 OR { 897} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 898} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 2.500 0.800 0.800 peak 898 weight 0.10000E+01 volume 0.11164E-01 ppm1 8.250 ppm2 1.656 CV 1 OR { 898} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HN )) OR { 898} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) ASSI { 900} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 68 and name HN )) 4.700 2.800 1.300 peak 900 weight 0.10000E+01 volume 0.41836E-03 ppm1 8.251 ppm2 0.760 CV 1 OR { 900} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 11 and name HN )) ASSI { 909} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 3.900 1.900 1.900 peak 909 weight 0.10000E+01 volume 0.11537E-02 ppm1 9.231 ppm2 8.229 CV 1 OR { 909} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 916} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 916 weight 0.10000E+01 volume 0.15127E-02 ppm1 9.230 ppm2 1.664 CV 1 OR { 916} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HN )) OR { 916} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HN )) OR { 916} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 69 and name HN )) ASSI { 919} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HN )) 3.300 1.400 1.400 peak 919 weight 0.10000E+01 volume 0.56849E-02 ppm1 9.229 ppm2 0.572 CV 1 OR { 919} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 929} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 68 and name HN )) 5.100 3.300 0.900 peak 929 weight 0.10000E+01 volume 0.33113E-03 ppm1 8.244 ppm2 2.920 CV 1 OR { 929} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 68 and name HN )) OR { 929} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HN )) OR { 929} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HN )) ASSI { 940} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 123 and name HN )) 4.700 2.800 1.300 peak 940 weight 0.10000E+01 volume 0.66695E-03 ppm1 8.998 ppm2 6.531 CV 1 OR { 940} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 123 and name HN )) ASSI { 942} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name HN )) 2.200 0.600 0.600 peak 942 weight 0.10000E+01 volume 0.97830E-02 ppm1 8.999 ppm2 4.825 CV 1 OR { 942} (( segid " " and resid 112 and name HA )) (( segid " " and resid 123 and name HN )) ASSI { 946} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 123 and name HN )) 4.800 2.900 1.200 peak 946 weight 0.10000E+01 volume 0.68648E-03 ppm1 8.999 ppm2 1.652 CV 1 OR { 946} (( segid " " and resid 115 and name HG )) (( segid " " and resid 123 and name HN )) OR { 946} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 123 and name HN )) OR { 946} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 123 and name HN )) ASSI { 947} (( segid " " and resid 122 and name HB )) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 947 weight 0.10000E+01 volume 0.86110E-03 ppm1 9.000 ppm2 1.291 CV 1 OR { 947} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 123 and name HN )) ASSI { 949} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 123 and name HN )) 3.600 1.600 1.600 peak 949 weight 0.10000E+01 volume 0.21287E-02 ppm1 8.999 ppm2 0.574 CV 1 OR { 949} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 123 and name HN )) ASSI { 986} (( segid " " and resid 141 and name HN )) (( segid " " and resid 32 and name HN )) 3.300 1.400 1.400 peak 986 weight 0.10000E+01 volume 0.13758E-02 ppm1 8.459 ppm2 8.787 CV 1 OR { 986} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 991} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.600 0.900 0.900 peak 991 weight 0.10000E+01 volume 0.61226E-02 ppm1 8.459 ppm2 4.464 CV 1 OR { 991} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) ASSI { 997} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 997 weight 0.10000E+01 volume 0.46473E-02 ppm1 8.459 ppm2 1.803 CV 1 OR { 997} (( segid " " and resid 141 and name HB )) (( segid " " and resid 32 and name HN )) OR { 997} (( segid " " and resid 140 and name HB )) (( segid " " and resid 32 and name HN )) ASSI { 999} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 999 weight 0.10000E+01 volume 0.14400E-02 ppm1 8.460 ppm2 0.945 CV 1 OR { 999} ( segid " " and resid 141 and name HG1%) (( segid " " and resid 32 and name HN )) OR { 999} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 32 and name HN )) OR { 999} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 32 and name HN )) ASSI { 1049} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HN )) 1.900 0.400 0.400 peak 1049 weight 0.10000E+01 volume 0.17079E-01 ppm1 8.835 ppm2 4.716 CV 1 OR { 1049} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) ASSI { 1051} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 1051 weight 0.10000E+01 volume 0.79305E-03 ppm1 8.831 ppm2 8.405 CV 1 OR { 1051} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) ASSI { 1057} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 125 and name HN )) 3.700 1.700 1.700 peak 1057 weight 0.10000E+01 volume 0.17848E-02 ppm1 8.833 ppm2 1.949 CV 1 OR { 1057} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) ASSI { 1058} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.200 2.200 1.800 peak 1058 weight 0.10000E+01 volume 0.18263E-02 ppm1 8.834 ppm2 1.887 CV 1 OR { 1058} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 125 and name HN )) ASSI { 1084} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HN )) 3.100 1.200 1.200 peak 1084 weight 0.10000E+01 volume 0.43003E-02 ppm1 8.863 ppm2 1.679 CV 1 OR { 1084} (( segid " " and resid 71 and name HB )) (( segid " " and resid 125 and name HN )) ASSI { 1085} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 125 and name HN )) 2.500 0.800 0.800 peak 1085 weight 0.10000E+01 volume 0.63918E-02 ppm1 8.863 ppm2 0.841 CV 1 OR { 1085} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HN )) OR { 1085} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 125 and name HN )) OR { 1085} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 125 and name HN )) ASSI { 1108} (( segid " " and resid 125 and name HN )) (( segid " " and resid 134 and name HN )) 4.300 2.300 1.700 peak 1108 weight 0.10000E+01 volume 0.12245E-02 ppm1 8.608 ppm2 8.824 CV 1 OR { 1108} (( segid " " and resid 111 and name HN )) (( segid " " and resid 134 and name HN )) ASSI { 1109} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 134 and name HN )) 4.400 2.500 1.600 peak 1109 weight 0.10000E+01 volume 0.30390E-03 ppm1 8.610 ppm2 8.147 CV 1 OR { 1109} (( segid " " and resid 41 and name HN )) (( segid " " and resid 134 and name HN )) ASSI { 1115} (( segid " " and resid 116 and name HN )) (( segid " " and resid 67 and name HN )) 4.200 2.200 1.800 peak 1115 weight 0.10000E+01 volume 0.20696E-02 ppm1 8.376 ppm2 8.570 CV 1 OR { 1115} (( segid " " and resid 61 and name HN )) (( segid " " and resid 67 and name HN )) ASSI { 1123} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) 3.500 1.600 1.600 peak 1123 weight 0.10000E+01 volume 0.14108E-02 ppm1 8.377 ppm2 4.779 CV 1 OR { 1123} (( segid " " and resid 113 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 1127} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HN )) 2.600 0.900 0.900 peak 1127 weight 0.10000E+01 volume 0.71192E-02 ppm1 8.377 ppm2 1.627 CV 1 OR { 1127} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) OR { 1127} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 67 and name HN )) OR { 1127} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 67 and name HN )) OR { 1127} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 67 and name HN )) ASSI { 1128} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 1128 weight 0.10000E+01 volume 0.17183E-02 ppm1 8.377 ppm2 1.325 CV 1 OR { 1128} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) OR { 1128} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) OR { 1128} (( segid " " and resid 114 and name HG2 )) (( segid " " and resid 67 and name HN )) ASSI { 1131} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 1131 weight 0.10000E+01 volume 0.68878E-03 ppm1 8.378 ppm2 0.453 CV 1 OR { 1131} ( segid " " and resid 120 and name HD1%) (( segid " " and resid 67 and name HN )) ASSI { 1140} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 134 and name HN )) 4.200 2.200 1.800 peak 1140 weight 0.10000E+01 volume 0.69098E-03 ppm1 8.609 ppm2 7.764 CV 1 OR { 1140} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) ASSI { 1145} (( segid " " and resid 125 and name HA )) (( segid " " and resid 134 and name HN )) 3.900 1.900 1.900 peak 1145 weight 0.10000E+01 volume 0.95247E-03 ppm1 8.608 ppm2 4.830 CV 1 OR { 1145} (( segid " " and resid 107 and name HA )) (( segid " " and resid 134 and name HN )) ASSI { 1149} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 134 and name HN )) 4.600 2.600 1.400 peak 1149 weight 0.10000E+01 volume 0.63132E-03 ppm1 8.609 ppm2 1.549 CV 1 OR { 1149} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 134 and name HN )) ASSI { 1152} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 134 and name HN )) 3.600 1.600 1.600 peak 1152 weight 0.10000E+01 volume 0.30216E-02 ppm1 8.606 ppm2 0.866 CV 1 OR { 1152} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 134 and name HN )) OR { 1152} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 134 and name HN )) OR { 1152} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 134 and name HN )) ASSI { 1186} (( segid " " and resid 70 and name HA )) (( segid " " and resid 74 and name HN )) 5.100 3.300 0.900 peak 1186 weight 0.10000E+01 volume 0.29438E-03 ppm1 8.201 ppm2 4.888 CV 1 OR { 1186} (( segid " " and resid 112 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 1187} (( segid " " and resid 77 and name HG2 )) (( segid " " and resid 74 and name HN )) 5.200 3.400 0.800 peak 1187 weight 0.10000E+01 volume 0.31017E-03 ppm1 8.203 ppm2 1.647 CV 1 OR { 1187} (( segid " " and resid 71 and name HB )) (( segid " " and resid 74 and name HN )) ASSI { 1194} (( segid " " and resid 127 and name HA )) (( segid " " and resid 108 and name HN )) 4.300 2.300 1.700 peak 1194 weight 0.10000E+01 volume 0.52350E-03 ppm1 9.200 ppm2 5.266 CV 1 OR { 1194} (( segid " " and resid 110 and name HA )) (( segid " " and resid 108 and name HN )) ASSI { 1206} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 1206 weight 0.10000E+01 volume 0.54871E-02 ppm1 8.199 ppm2 4.238 CV 1 OR { 1206} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 1211} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 74 and name HN )) 4.300 2.400 1.700 peak 1211 weight 0.10000E+01 volume 0.16568E-02 ppm1 8.201 ppm2 0.979 CV 1 OR { 1211} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 74 and name HN )) ASSI { 1259} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.800 0.800 peak 1259 weight 0.10000E+01 volume 0.56337E-02 ppm1 7.668 ppm2 4.051 CV 1 OR { 1259} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 1264} (( segid " " and resid 17 and name HG )) (( segid " " and resid 15 and name HN )) 4.600 2.600 1.400 peak 1264 weight 0.10000E+01 volume 0.96780E-03 ppm1 7.668 ppm2 1.721 CV 1 OR { 1264} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 15 and name HN )) OR { 1264} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 1265} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 15 and name HN )) 4.800 2.900 1.200 peak 1265 weight 0.10000E+01 volume 0.46422E-03 ppm1 7.668 ppm2 1.531 CV 1 OR { 1265} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 15 and name HN )) OR { 1265} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 15 and name HN )) OR { 1265} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 1281} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HN )) 5.200 3.300 0.800 peak 1281 weight 0.10000E+01 volume 0.26638E-03 ppm1 8.591 ppm2 7.569 CV 1 OR { 1281} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 1293} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HN )) 3.600 1.600 1.600 peak 1293 weight 0.10000E+01 volume 0.15533E-02 ppm1 8.588 ppm2 7.827 CV 1 OR { 1293} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) OR { 1293} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 1295} (( segid " " and resid 19 and name HA )) (( segid " " and resid 21 and name HN )) 3.600 1.600 1.600 peak 1295 weight 0.10000E+01 volume 0.27810E-02 ppm1 8.587 ppm2 4.015 CV 1 OR { 1295} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HN )) ASSI { 1296} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 1296 weight 0.10000E+01 volume 0.62766E-02 ppm1 8.588 ppm2 3.737 CV 1 OR { 1296} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) OR { 1296} (( segid " " and resid 17 and name HA )) (( segid " " and resid 21 and name HN )) ASSI { 1297} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 21 and name HN )) 2.200 0.600 0.600 peak 1297 weight 0.10000E+01 volume 0.95186E-02 ppm1 8.587 ppm2 1.888 CV 1 OR { 1297} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HN )) ASSI { 1298} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 21 and name HN )) 3.400 1.400 1.400 peak 1298 weight 0.10000E+01 volume 0.25534E-02 ppm1 8.588 ppm2 1.519 CV 1 OR { 1298} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 21 and name HN )) ASSI { 1301} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 21 and name HN )) 5.500 3.700 0.500 peak 1301 weight 0.10000E+01 volume 0.29448E-03 ppm1 8.586 ppm2 2.305 CV 1 OR { 1301} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 21 and name HN )) OR { 1301} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 21 and name HN )) OR { 1301} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 21 and name HN )) ASSI { 1302} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 1302 weight 0.10000E+01 volume 0.20817E-02 ppm1 8.585 ppm2 1.683 CV 1 OR { 1302} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HN )) OR { 1302} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HN )) ASSI { 1320} (( segid " " and resid 103 and name HB )) (( segid " " and resid 102 and name HN )) 3.900 1.900 1.900 peak 1320 weight 0.10000E+01 volume 0.17149E-02 ppm1 8.532 ppm2 1.896 CV 1 OR { 1320} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 102 and name HN )) OR { 1320} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 102 and name HN )) ASSI { 1338} (( segid " " and resid 100 and name HN )) (( segid " " and resid 102 and name HN )) 4.100 2.100 1.900 peak 1338 weight 0.10000E+01 volume 0.84329E-03 ppm1 8.523 ppm2 7.894 CV 1 OR { 1338} (( segid " " and resid 99 and name HN )) (( segid " " and resid 102 and name HN )) ASSI { 1341} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name HN )) 3.400 1.400 1.400 peak 1341 weight 0.10000E+01 volume 0.17888E-02 ppm1 8.524 ppm2 3.942 CV 1 OR { 1341} (( segid " " and resid 103 and name HA )) (( segid " " and resid 102 and name HN )) OR { 1341} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 102 and name HN )) ASSI { 1346} (( segid " " and resid 102 and name HB )) (( segid " " and resid 102 and name HN )) 2.300 0.600 0.600 peak 1346 weight 0.10000E+01 volume 0.10750E-01 ppm1 8.524 ppm2 2.129 CV 1 OR { 1346} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 102 and name HN )) ASSI { 1347} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 102 and name HN )) 4.000 2.000 2.000 peak 1347 weight 0.10000E+01 volume 0.13076E-02 ppm1 8.526 ppm2 1.699 CV 1 OR { 1347} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 102 and name HN )) OR { 1347} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 102 and name HN )) ASSI { 1348} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 102 and name HN )) 4.300 2.400 1.700 peak 1348 weight 0.10000E+01 volume 0.74859E-03 ppm1 8.526 ppm2 1.459 CV 1 OR { 1348} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 102 and name HN )) OR { 1348} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 102 and name HN )) ASSI { 1349} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 102 and name HN )) 4.400 2.400 1.600 peak 1349 weight 0.10000E+01 volume 0.10249E-02 ppm1 8.524 ppm2 1.341 CV 1 OR { 1349} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 102 and name HN )) OR { 1349} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 102 and name HN )) OR { 1349} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 102 and name HN )) ASSI { 1350} (( segid " " and resid 100 and name HG )) (( segid " " and resid 102 and name HN )) 4.900 2.900 1.100 peak 1350 weight 0.10000E+01 volume 0.55754E-03 ppm1 8.524 ppm2 1.181 CV 1 OR { 1350} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 102 and name HN )) ASSI { 1371} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 1371 weight 0.10000E+01 volume 0.61343E-02 ppm1 8.697 ppm2 1.712 CV 1 OR { 1371} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 86 and name HN )) ASSI { 1377} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 72 and name HN )) 5.000 3.100 1.000 peak 1377 weight 0.10000E+01 volume 0.11485E-02 ppm1 7.890 ppm2 0.790 CV 1 OR { 1377} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 72 and name HN )) ASSI { 1384} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 1384 weight 0.10000E+01 volume 0.62515E-02 ppm1 6.990 ppm2 6.731 CV 1 OR { 1384} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 85 and name HN )) ASSI { 1390} (( segid " " and resid 83 and name HA )) (( segid " " and resid 85 and name HN )) 4.000 2.000 2.000 peak 1390 weight 0.10000E+01 volume 0.14164E-02 ppm1 6.990 ppm2 4.168 CV 1 OR { 1390} (( segid " " and resid 82 and name HA )) (( segid " " and resid 85 and name HN )) ASSI { 1392} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HN )) 2.300 0.700 0.700 peak 1392 weight 0.10000E+01 volume 0.91027E-02 ppm1 6.990 ppm2 3.165 CV 1 OR { 1392} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) ASSI { 1395} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 85 and name HN )) 5.200 3.400 0.800 peak 1395 weight 0.10000E+01 volume 0.94902E-03 ppm1 6.990 ppm2 1.702 CV 1 OR { 1395} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 85 and name HN )) ASSI { 1426} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 2.900 1.100 1.100 peak 1426 weight 0.10000E+01 volume 0.33013E-02 ppm1 8.693 ppm2 4.686 CV 1 OR { 1426} (( segid " " and resid 90 and name HA )) (( segid " " and resid 86 and name HN )) ASSI { 1427} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 86 and name HN )) 2.500 0.800 0.800 peak 1427 weight 0.10000E+01 volume 0.23430E-02 ppm1 8.694 ppm2 0.785 CV 1 OR { 1427} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HN )) ASSI { 1442} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 1442 weight 0.10000E+01 volume 0.16152E-02 ppm1 7.891 ppm2 8.181 CV 1 OR { 1442} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 1448} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.500 0.800 0.800 peak 1448 weight 0.10000E+01 volume 0.46729E-02 ppm1 7.891 ppm2 4.456 CV 1 OR { 1448} (( segid " " and resid 109 and name HA )) (( segid " " and resid 72 and name HN )) ASSI { 1450} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 1450 weight 0.10000E+01 volume 0.16226E-02 ppm1 7.890 ppm2 4.051 CV 1 OR { 1450} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 72 and name HN )) OR { 1450} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HN )) ASSI { 1452} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) 2.400 0.700 0.700 peak 1452 weight 0.10000E+01 volume 0.76879E-02 ppm1 7.891 ppm2 2.703 CV 1 OR { 1452} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 72 and name HN )) ASSI { 1468} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 85 and name HN )) 5.500 3.800 0.500 peak 1468 weight 0.10000E+01 volume 0.25257E-03 ppm1 6.989 ppm2 1.947 CV 1 OR { 1468} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 85 and name HN )) ASSI { 1490} ( segid " " and resid 123 and name HE% ) (( segid " " and resid 122 and name HN )) 5.000 3.200 1.000 peak 1490 weight 0.10000E+01 volume 0.39632E-03 ppm1 8.212 ppm2 6.527 CV 1 OR { 1490} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 70 and name HN )) OR { 1490} ( segid " " and resid 74 and name HD% ) (( segid " " and resid 122 and name HN )) ASSI { 1494} (( segid " " and resid 121 and name HA )) (( segid " " and resid 122 and name HN )) 1.900 0.400 0.400 peak 1494 weight 0.10000E+01 volume 0.16933E-01 ppm1 8.208 ppm2 4.921 CV 1 OR { 1494} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 1522} (( segid " " and resid 120 and name HA )) (( segid " " and resid 119 and name HN )) 3.400 1.400 1.400 peak 1522 weight 0.10000E+01 volume 0.13586E-02 ppm1 8.291 ppm2 4.902 CV 1 OR { 1522} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 119 and name HN )) ASSI { 1524} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 3.200 1.300 1.300 peak 1524 weight 0.10000E+01 volume 0.19750E-02 ppm1 8.293 ppm2 4.098 CV 1 OR { 1524} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 1532} (( segid " " and resid 136 and name HN )) (( segid " " and resid 40 and name HN )) 4.700 2.700 1.300 peak 1532 weight 0.10000E+01 volume 0.47438E-03 ppm1 8.199 ppm2 7.833 CV 1 OR { 1532} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HN )) ASSI { 1534} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 122 and name HN )) 5.100 3.300 0.900 peak 1534 weight 0.10000E+01 volume 0.50310E-03 ppm1 8.200 ppm2 7.312 CV 1 OR { 1534} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 70 and name HN )) OR { 1534} ( segid " " and resid 37 and name HD% ) (( segid " " and resid 40 and name HN )) ASSI { 1539} (( segid " " and resid 125 and name HB )) (( segid " " and resid 40 and name HN )) 5.100 3.300 0.900 peak 1539 weight 0.10000E+01 volume 0.44561E-03 ppm1 8.199 ppm2 1.711 CV 1 OR { 1539} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 40 and name HN )) OR { 1539} (( segid " " and resid 71 and name HB )) (( segid " " and resid 70 and name HN )) OR { 1539} (( segid " " and resid 17 and name HG )) (( segid " " and resid 40 and name HN )) OR { 1539} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 40 and name HN )) ASSI { 1541} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 40 and name HN )) 2.700 0.900 0.900 peak 1541 weight 0.10000E+01 volume 0.61200E-02 ppm1 8.202 ppm2 0.939 CV 1 OR { 1541} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 122 and name HN )) OR { 1541} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HN )) OR { 1541} (( segid " " and resid 139 and name HD2 )) (( segid " " and resid 122 and name HN )) OR { 1541} (( segid " " and resid 139 and name HD1 )) (( segid " " and resid 122 and name HN )) ASSI { 1572} (( segid " " and resid 114 and name HN )) (( segid " " and resid 121 and name HN )) 5.200 3.400 0.800 peak 1572 weight 0.10000E+01 volume 0.41050E-03 ppm1 8.501 ppm2 8.976 CV 1 OR { 1572} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HN )) ASSI { 1575} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) 2.200 0.600 0.600 peak 1575 weight 0.10000E+01 volume 0.10526E-01 ppm1 8.501 ppm2 4.908 CV 1 OR { 1575} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HN )) OR { 1575} (( segid " " and resid 114 and name HA )) (( segid " " and resid 121 and name HN )) ASSI { 1587} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HN )) 2.200 0.600 0.600 peak 1587 weight 0.10000E+01 volume 0.84380E-02 ppm1 8.199 ppm2 1.977 CV 1 OR { 1587} (( segid " " and resid 39 and name HB )) (( segid " " and resid 40 and name HN )) ASSI { 1607} (( segid " " and resid 138 and name HA )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 1607 weight 0.10000E+01 volume 0.11015E-02 ppm1 9.227 ppm2 4.700 CV 1 OR { 1607} (( segid " " and resid 123 and name HA )) (( segid " " and resid 38 and name HN )) OR { 1607} (( segid " " and resid 28 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 1609} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.100 1.200 1.200 peak 1609 weight 0.10000E+01 volume 0.28563E-02 ppm1 9.227 ppm2 2.003 CV 1 OR { 1609} (( segid " " and resid 39 and name HB )) (( segid " " and resid 38 and name HN )) ASSI { 1630} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 2.900 1.100 1.100 peak 1630 weight 0.10000E+01 volume 0.24836E-02 ppm1 8.303 ppm2 8.819 CV 1 OR { 1630} (( segid " " and resid 142 and name HN )) (( segid " " and resid 119 and name HN )) ASSI { 1632} (( segid " " and resid 117 and name HA )) (( segid " " and resid 119 and name HN )) 4.100 2.100 1.900 peak 1632 weight 0.10000E+01 volume 0.67842E-03 ppm1 8.302 ppm2 4.350 CV 1 OR { 1632} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 1636} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HN )) 2.900 1.000 1.000 peak 1636 weight 0.10000E+01 volume 0.71967E-02 ppm1 8.302 ppm2 1.969 CV 1 OR { 1636} (( segid " " and resid 99 and name HG )) (( segid " " and resid 103 and name HN )) OR { 1636} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 119 and name HN )) ASSI { 1637} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 103 and name HN )) 5.100 3.300 0.900 peak 1637 weight 0.10000E+01 volume 0.31813E-03 ppm1 8.303 ppm2 1.305 CV 1 OR { 1637} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 103 and name HN )) OR { 1637} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 103 and name HN )) ASSI { 1638} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 119 and name HN )) 2.900 1.100 1.100 peak 1638 weight 0.10000E+01 volume 0.70383E-02 ppm1 8.302 ppm2 0.951 CV 1 OR { 1638} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 119 and name HN )) OR { 1638} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 103 and name HN )) ASSI { 1662} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 1662 weight 0.10000E+01 volume 0.22389E-02 ppm1 9.221 ppm2 4.885 CV 1 OR { 1662} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 1666} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 96 and name HN )) 4.500 2.600 1.500 peak 1666 weight 0.10000E+01 volume 0.10394E-02 ppm1 8.733 ppm2 1.518 CV 1 OR { 1666} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 96 and name HN )) ASSI { 1671} (( segid " " and resid 100 and name HN )) (( segid " " and resid 103 and name HN )) 4.700 2.800 1.300 peak 1671 weight 0.10000E+01 volume 0.30915E-03 ppm1 8.305 ppm2 7.846 CV 1 OR { 1671} (( segid " " and resid 99 and name HN )) (( segid " " and resid 103 and name HN )) ASSI { 1690} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 1690 weight 0.10000E+01 volume 0.27350E-02 ppm1 8.812 ppm2 4.174 CV 1 OR { 1690} (( segid " " and resid 143 and name HB )) (( segid " " and resid 118 and name HN )) ASSI { 1695} (( segid " " and resid 118 and name HN )) (( segid " " and resid 143 and name HN )) 4.000 2.000 2.000 peak 1695 weight 0.10000E+01 volume 0.96156E-03 ppm1 8.206 ppm2 8.837 CV 1 OR { 1695} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) ASSI { 1722} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name HN )) 3.100 1.200 1.200 peak 1722 weight 0.10000E+01 volume 0.23858E-02 ppm1 8.328 ppm2 3.527 CV 1 OR { 1722} (( segid " " and resid 100 and name HA )) (( segid " " and resid 103 and name HN )) ASSI { 1744} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 4.000 2.000 2.000 peak 1744 weight 0.10000E+01 volume 0.98224E-03 ppm1 9.094 ppm2 8.198 CV 1 OR { 1744} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HN )) ASSI { 1745} (( segid " " and resid 112 and name HN )) (( segid " " and resid 71 and name HN )) 2.800 1.000 1.000 peak 1745 weight 0.10000E+01 volume 0.24587E-02 ppm1 9.094 ppm2 7.896 CV 1 OR { 1745} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) ASSI { 1748} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HN )) 5.200 3.400 0.800 peak 1748 weight 0.10000E+01 volume 0.32960E-03 ppm1 9.092 ppm2 4.472 CV 1 OR { 1748} (( segid " " and resid 109 and name HA )) (( segid " " and resid 71 and name HN )) ASSI { 1752} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 71 and name HN )) 6.000 4.900 0.000 peak 1752 weight 0.10000E+01 volume 0.24938E-03 ppm1 9.091 ppm2 1.956 CV 1 OR { 1752} (( segid " " and resid 69 and name HB )) (( segid " " and resid 71 and name HN )) ASSI { 1753} (( segid " " and resid 112 and name HB )) (( segid " " and resid 71 and name HN )) 5.200 3.400 0.800 peak 1753 weight 0.10000E+01 volume 0.34316E-03 ppm1 9.094 ppm2 1.860 CV 1 OR { 1753} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 71 and name HN )) ASSI { 1757} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 1757 weight 0.10000E+01 volume 0.13610E-02 ppm1 9.093 ppm2 0.805 CV 1 OR { 1757} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 1767} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HN )) 2.800 1.000 1.000 peak 1767 weight 0.10000E+01 volume 0.61205E-02 ppm1 8.998 ppm2 1.642 CV 1 OR { 1767} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 114 and name HN )) OR { 1767} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 114 and name HN )) ASSI { 1769} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 114 and name HN )) 3.800 1.800 1.800 peak 1769 weight 0.10000E+01 volume 0.10611E-02 ppm1 8.998 ppm2 0.577 CV 1 OR { 1769} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 114 and name HN )) OR { 1769} ( segid " " and resid 122 and name HG1%) (( segid " " and resid 114 and name HN )) OR { 1769} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 114 and name HN )) ASSI { 1770} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 114 and name HN )) 3.900 1.900 1.900 peak 1770 weight 0.10000E+01 volume 0.11077E-02 ppm1 8.999 ppm2 0.447 CV 1 OR { 1770} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 114 and name HN )) ASSI { 1774} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HN )) 3.800 1.800 1.800 peak 1774 weight 0.10000E+01 volume 0.64189E-03 ppm1 8.328 ppm2 3.951 CV 1 OR { 1774} (( segid " " and resid 104 and name HA )) (( segid " " and resid 103 and name HN )) ASSI { 1780} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HN )) 3.300 1.400 1.400 peak 1780 weight 0.10000E+01 volume 0.20339E-02 ppm1 8.017 ppm2 7.224 CV 1 OR { 1780} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 1781} (( segid " " and resid 29 and name HA )) (( segid " " and resid 35 and name HN )) 4.500 2.500 1.500 peak 1781 weight 0.10000E+01 volume 0.72141E-03 ppm1 8.018 ppm2 4.549 CV 1 OR { 1781} (( segid " " and resid 33 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 1782} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HN )) 4.100 2.200 1.900 peak 1782 weight 0.10000E+01 volume 0.96238E-03 ppm1 8.022 ppm2 3.703 CV 1 OR { 1782} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 1792} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 1792 weight 0.10000E+01 volume 0.58658E-02 ppm1 8.005 ppm2 7.669 CV 1 OR { 1792} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 78 and name HN )) ASSI { 1793} ( segid " " and resid 29 and name HE% ) (( segid " " and resid 78 and name HN )) 5.000 3.200 1.000 peak 1793 weight 0.10000E+01 volume 0.55766E-03 ppm1 8.011 ppm2 6.717 CV 1 OR { 1793} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HN )) ASSI { 1798} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 3.300 1.400 1.400 peak 1798 weight 0.10000E+01 volume 0.55185E-02 ppm1 8.008 ppm2 1.791 CV 1 OR { 1798} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) OR { 1798} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) OR { 1798} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 1800} ( segid " " and resid 78 and name HB% ) (( segid " " and resid 78 and name HN )) 2.200 0.600 0.600 peak 1800 weight 0.10000E+01 volume 0.12117E-01 ppm1 8.006 ppm2 0.649 CV 1 OR { 1800} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 35 and name HN )) ASSI { 1821} (( segid " " and resid 49 and name HB )) (( segid " " and resid 49 and name HN )) 2.900 1.100 1.100 peak 1821 weight 0.10000E+01 volume 0.84094E-02 ppm1 8.932 ppm2 2.104 CV 1 OR { 1821} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 49 and name HN )) ASSI { 1832} (( segid " " and resid 120 and name HB2 )) (( segid " " and resid 118 and name HN )) 5.200 3.400 0.800 peak 1832 weight 0.10000E+01 volume 0.37052E-03 ppm1 8.819 ppm2 1.328 CV 1 OR { 1832} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 83 and name HN )) ASSI { 1863} (( segid " " and resid 93 and name HB )) (( segid " " and resid 93 and name HN )) 2.200 0.600 0.600 peak 1863 weight 0.10000E+01 volume 0.10777E-01 ppm1 7.719 ppm2 2.373 CV 1 OR { 1863} (( segid " " and resid 92 and name HB )) (( segid " " and resid 93 and name HN )) ASSI { 1864} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 93 and name HN )) 5.600 3.900 0.400 peak 1864 weight 0.10000E+01 volume 0.29095E-03 ppm1 7.717 ppm2 2.099 CV 1 OR { 1864} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 93 and name HN )) OR { 1864} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 93 and name HN )) ASSI { 1865} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 93 and name HN )) 4.100 2.100 1.900 peak 1865 weight 0.10000E+01 volume 0.18859E-02 ppm1 7.719 ppm2 1.545 CV 1 OR { 1865} ( segid " " and resid 91 and name HB% ) (( segid " " and resid 93 and name HN )) ASSI { 1867} ( segid " " and resid 93 and name HG1%) (( segid " " and resid 93 and name HN )) 2.600 0.800 0.800 peak 1867 weight 0.10000E+01 volume 0.10104E-01 ppm1 7.719 ppm2 1.173 CV 1 OR { 1867} ( segid " " and resid 92 and name HG1%) (( segid " " and resid 93 and name HN )) ASSI { 1878} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HN )) 3.100 1.200 1.200 peak 1878 weight 0.10000E+01 volume 0.24531E-02 ppm1 8.811 ppm2 1.978 CV 1 OR { 1878} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 118 and name HN )) OR { 1878} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 83 and name HN )) ASSI { 1880} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 111 and name HN )) 4.000 2.000 2.000 peak 1880 weight 0.10000E+01 volume 0.15585E-02 ppm1 8.805 ppm2 0.618 CV 1 OR { 1880} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 111 and name HN )) ASSI { 1899} (( segid " " and resid 127 and name HN )) (( segid " " and resid 111 and name HN )) 4.500 2.500 1.500 peak 1899 weight 0.10000E+01 volume 0.95255E-03 ppm1 8.796 ppm2 8.634 CV 1 OR { 1899} (( segid " " and resid 116 and name HN )) (( segid " " and resid 118 and name HN )) ASSI { 1905} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HN )) 3.400 1.400 1.400 peak 1905 weight 0.10000E+01 volume 0.30086E-02 ppm1 8.799 ppm2 1.888 CV 1 OR { 1905} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 118 and name HN )) ASSI { 1906} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 118 and name HN )) 3.300 1.400 1.400 peak 1906 weight 0.10000E+01 volume 0.29999E-02 ppm1 8.796 ppm2 1.540 CV 1 OR { 1906} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 111 and name HN )) OR { 1906} (( segid " " and resid 71 and name HG11)) (( segid " " and resid 111 and name HN )) ASSI { 1907} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 111 and name HN )) 3.400 1.500 1.500 peak 1907 weight 0.10000E+01 volume 0.19409E-02 ppm1 8.795 ppm2 0.829 CV 1 OR { 1907} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 111 and name HN )) OR { 1907} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 111 and name HN )) OR { 1907} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 111 and name HN )) ASSI { 1928} (( segid " " and resid 12 and name HN )) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 1928 weight 0.10000E+01 volume 0.10269E-02 ppm1 7.893 ppm2 8.787 CV 1 OR { 1928} (( segid " " and resid 97 and name HN )) (( segid " " and resid 99 and name HN )) ASSI { 1935} (( segid " " and resid 95 and name HA )) (( segid " " and resid 99 and name HN )) 2.700 0.900 0.900 peak 1935 weight 0.10000E+01 volume 0.48539E-02 ppm1 7.895 ppm2 4.086 CV 1 OR { 1935} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) OR { 1935} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HN )) OR { 1935} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 1937} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 99 and name HN )) 2.100 0.500 0.500 peak 1937 weight 0.10000E+01 volume 0.13276E-01 ppm1 7.892 ppm2 1.960 CV 1 OR { 1937} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HN )) OR { 1937} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 99 and name HN )) ASSI { 1938} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 1938 weight 0.10000E+01 volume 0.51735E-02 ppm1 7.885 ppm2 1.685 CV 1 OR { 1938} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 99 and name HN )) OR { 1938} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 16 and name HN )) OR { 1938} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 16 and name HN )) OR { 1938} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 99 and name HN )) ASSI { 1939} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 1939 weight 0.10000E+01 volume 0.18588E-02 ppm1 7.892 ppm2 1.475 CV 1 OR { 1939} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 99 and name HN )) OR { 1939} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 99 and name HN )) ASSI { 1942} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 1942 weight 0.10000E+01 volume 0.28665E-02 ppm1 7.886 ppm2 0.626 CV 1 OR { 1942} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 99 and name HN )) OR { 1942} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 99 and name HN )) ASSI { 1947} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 93 and name HN )) 5.000 3.100 1.000 peak 1947 weight 0.10000E+01 volume 0.53624E-03 ppm1 7.718 ppm2 1.958 CV 1 OR { 1947} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 93 and name HN )) OR { 1947} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 93 and name HN )) ASSI { 1966} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 16 and name HN )) 4.600 2.600 1.400 peak 1966 weight 0.10000E+01 volume 0.29018E-03 ppm1 7.890 ppm2 2.905 CV 1 OR { 1966} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 16 and name HN )) OR { 1966} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 16 and name HN )) ASSI { 1968} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 92 and name HN )) 5.300 3.500 0.700 peak 1968 weight 0.10000E+01 volume 0.45997E-03 ppm1 7.443 ppm2 1.979 CV 1 OR { 1968} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 92 and name HN )) OR { 1968} (( segid " " and resid 89 and name HG1 )) (( segid " " and resid 92 and name HN )) ASSI { 1969} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 92 and name HN )) 4.900 3.000 1.100 peak 1969 weight 0.10000E+01 volume 0.41337E-03 ppm1 7.443 ppm2 0.810 CV 1 OR { 1969} ( segid " " and resid 93 and name HG2%) (( segid " " and resid 92 and name HN )) ASSI { 2067} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 3.500 1.600 1.600 peak 2067 weight 0.10000E+01 volume 0.81859E-03 ppm1 8.200 ppm2 3.038 CV 1 OR { 2067} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 2078} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 66 and name HN )) 4.600 2.700 1.400 peak 2078 weight 0.10000E+01 volume 0.70498E-03 ppm1 8.066 ppm2 1.623 CV 1 OR { 2078} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 66 and name HN )) OR { 2078} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 66 and name HN )) OR { 2078} (( segid " " and resid 115 and name HG )) (( segid " " and resid 66 and name HN )) OR { 2078} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 66 and name HN )) ASSI { 2079} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 66 and name HN )) 4.700 2.800 1.300 peak 2079 weight 0.10000E+01 volume 0.41308E-03 ppm1 8.070 ppm2 1.318 CV 1 OR { 2079} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HN )) OR { 2079} (( segid " " and resid 114 and name HG1 )) (( segid " " and resid 66 and name HN )) OR { 2079} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 66 and name HN )) ASSI { 2082} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HN )) 4.800 2.800 1.200 peak 2082 weight 0.10000E+01 volume 0.24838E-03 ppm1 8.068 ppm2 0.444 CV 1 OR { 2082} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 66 and name HN )) ASSI { 2083} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HN )) 5.000 3.100 1.000 peak 2083 weight 0.10000E+01 volume 0.29325E-03 ppm1 8.064 ppm2 8.547 CV 1 OR { 2083} (( segid " " and resid 61 and name HN )) (( segid " " and resid 66 and name HN )) ASSI { 2109} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 2109 weight 0.10000E+01 volume 0.39115E-02 ppm1 8.199 ppm2 3.625 CV 1 OR { 2109} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2110} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 55 and name HN )) 4.700 2.800 1.300 peak 2110 weight 0.10000E+01 volume 0.74954E-03 ppm1 8.200 ppm2 2.014 CV 1 OR { 2110} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 2111} (( segid " " and resid 54 and name HB )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 2111 weight 0.10000E+01 volume 0.46885E-02 ppm1 8.200 ppm2 1.703 CV 1 OR { 2111} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 55 and name HN )) ASSI { 2116} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 55 and name HN )) 3.100 1.200 1.200 peak 2116 weight 0.10000E+01 volume 0.37899E-02 ppm1 8.199 ppm2 0.428 CV 1 OR { 2116} ( segid " " and resid 54 and name HG2%) (( segid " " and resid 55 and name HN )) OR { 2116} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 55 and name HN )) ASSI { 2129} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 2129 weight 0.10000E+01 volume 0.63061E-02 ppm1 7.828 ppm2 4.205 CV 1 OR { 2129} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) ASSI { 2159} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 1.700 0.400 0.500 peak 2159 weight 0.10000E+01 volume 0.16954E-01 ppm1 8.679 ppm2 4.891 CV 1 OR { 2159} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2160} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 39 and name HN )) 4.800 2.800 1.200 peak 2160 weight 0.10000E+01 volume 0.36980E-03 ppm1 8.680 ppm2 2.944 CV 1 OR { 2160} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 39 and name HN )) OR { 2160} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 2163} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 2163 weight 0.10000E+01 volume 0.74419E-02 ppm1 8.679 ppm2 1.972 CV 1 OR { 2163} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 2164} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 39 and name HN )) 5.200 3.400 0.800 peak 2164 weight 0.10000E+01 volume 0.30206E-03 ppm1 8.681 ppm2 1.692 CV 1 OR { 2164} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 39 and name HN )) OR { 2164} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 2179} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 17 and name HN )) 4.800 2.800 1.200 peak 2179 weight 0.10000E+01 volume 0.76797E-03 ppm1 8.276 ppm2 2.292 CV 1 OR { 2179} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 17 and name HN )) OR { 2179} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 17 and name HN )) OR { 2179} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 17 and name HN )) ASSI { 2192} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 94 and name HN )) 4.600 2.700 1.400 peak 2192 weight 0.10000E+01 volume 0.57435E-03 ppm1 7.829 ppm2 1.815 CV 1 OR { 2192} (( segid " " and resid 95 and name HG1 )) (( segid " " and resid 94 and name HN )) ASSI { 2205} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 2205 weight 0.10000E+01 volume 0.55316E-02 ppm1 7.561 ppm2 4.529 CV 1 OR { 2205} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HN )) ASSI { 2210} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 27 and name HN )) 4.400 2.500 1.600 peak 2210 weight 0.10000E+01 volume 0.54822E-03 ppm1 7.563 ppm2 2.924 CV 1 OR { 2210} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 27 and name HN )) OR { 2210} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 27 and name HN )) ASSI { 2238} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.200 0.600 0.600 peak 2238 weight 0.10000E+01 volume 0.71627E-02 ppm1 8.275 ppm2 7.864 CV 1 OR { 2238} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 2240} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.300 1.400 1.400 peak 2240 weight 0.10000E+01 volume 0.19522E-02 ppm1 8.276 ppm2 4.062 CV 1 OR { 2240} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2247} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HN )) 4.000 2.000 2.000 peak 2247 weight 0.10000E+01 volume 0.28238E-02 ppm1 8.275 ppm2 0.829 CV 1 OR { 2247} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 17 and name HN )) ASSI { 2271} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HN )) 4.200 2.200 1.800 peak 2271 weight 0.10000E+01 volume 0.97172E-03 ppm1 7.918 ppm2 7.445 CV 1 OR { 2271} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 95 and name HN )) ASSI { 2272} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HN )) 3.100 1.200 1.200 peak 2272 weight 0.10000E+01 volume 0.21079E-02 ppm1 7.918 ppm2 4.195 CV 1 OR { 2272} (( segid " " and resid 93 and name HA )) (( segid " " and resid 95 and name HN )) ASSI { 2273} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HN )) 2.700 0.900 0.900 peak 2273 weight 0.10000E+01 volume 0.45726E-02 ppm1 7.918 ppm2 4.051 CV 1 OR { 2273} (( segid " " and resid 71 and name HA )) (( segid " " and resid 112 and name HN )) ASSI { 2278} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 95 and name HN )) 2.900 1.100 1.100 peak 2278 weight 0.10000E+01 volume 0.70250E-02 ppm1 7.918 ppm2 1.533 CV 1 OR { 2278} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 95 and name HN )) ASSI { 2306} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 13 and name HN )) 4.600 2.600 1.400 peak 2306 weight 0.10000E+01 volume 0.26538E-03 ppm1 9.234 ppm2 7.827 CV 1 OR { 2306} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HN )) ASSI { 2312} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 2312 weight 0.10000E+01 volume 0.47302E-03 ppm1 9.231 ppm2 0.844 CV 1 OR { 2312} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 13 and name HN )) ASSI { 2313} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 97 and name HN )) 4.400 2.400 1.600 peak 2313 weight 0.10000E+01 volume 0.90121E-03 ppm1 8.825 ppm2 7.491 CV 1 OR { 2313} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HN )) ASSI { 2324} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 41 and name HN )) 3.700 1.700 1.700 peak 2324 weight 0.10000E+01 volume 0.23748E-02 ppm1 8.162 ppm2 0.831 CV 1 OR { 2324} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HN )) ASSI { 2340} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 54 and name HN )) 4.100 2.100 1.900 peak 2340 weight 0.10000E+01 volume 0.12804E-02 ppm1 7.406 ppm2 2.045 CV 1 OR { 2340} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 2346} (( segid " " and resid 57 and name HE21)) (( segid " " and resid 54 and name HN )) 4.000 2.000 2.000 peak 2346 weight 0.10000E+01 volume 0.59055E-03 ppm1 7.400 ppm2 6.527 CV 1 OR { 2346} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 54 and name HN )) ASSI { 2352} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 80 and name HN )) 4.500 2.600 1.500 peak 2352 weight 0.10000E+01 volume 0.65154E-03 ppm1 7.278 ppm2 1.781 CV 1 OR { 2352} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 80 and name HN )) OR { 2352} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 80 and name HN )) ASSI { 2390} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HN )) 2.900 1.100 1.100 peak 2390 weight 0.10000E+01 volume 0.30884E-02 ppm1 8.825 ppm2 4.171 CV 1 OR { 2390} (( segid " " and resid 93 and name HA )) (( segid " " and resid 97 and name HN )) ASSI { 2397} ( segid " " and resid 94 and name HB% ) (( segid " " and resid 97 and name HN )) 4.500 2.500 1.500 peak 2397 weight 0.10000E+01 volume 0.87400E-03 ppm1 8.825 ppm2 1.534 CV 1 OR { 2397} (( segid " " and resid 95 and name HG2 )) (( segid " " and resid 97 and name HN )) ASSI { 2463} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 2463 weight 0.10000E+01 volume 0.18742E-02 ppm1 8.388 ppm2 3.990 CV 1 OR { 2463} (( segid " " and resid 104 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 2464} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.500 0.800 0.800 peak 2464 weight 0.10000E+01 volume 0.50735E-02 ppm1 8.388 ppm2 3.728 CV 1 OR { 2464} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 2478} (( segid " " and resid 112 and name HB )) (( segid " " and resid 112 and name HN )) 2.000 0.500 0.500 peak 2478 weight 0.10000E+01 volume 0.89885E-02 ppm1 7.927 ppm2 1.874 CV 1 OR { 2478} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 112 and name HN )) ASSI { 2520} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HN )) 4.300 2.300 1.700 peak 2520 weight 0.10000E+01 volume 0.20763E-02 ppm1 7.920 ppm2 0.784 CV 1 OR { 2520} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 112 and name HN )) OR { 2520} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 100 and name HN )) ASSI { 2542} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HN )) 4.500 2.500 1.500 peak 2542 weight 0.10000E+01 volume 0.60261E-03 ppm1 7.903 ppm2 8.523 CV 1 OR { 2542} (( segid " " and resid 73 and name HN )) (( segid " " and resid 112 and name HN )) ASSI { 2554} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HN )) 3.700 1.800 1.800 peak 2554 weight 0.10000E+01 volume 0.18244E-02 ppm1 7.903 ppm2 3.935 CV 1 OR { 2554} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 112 and name HN )) OR { 2554} (( segid " " and resid 101 and name HA )) (( segid " " and resid 100 and name HN )) ASSI { 2571} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HN )) 2.100 0.600 0.600 peak 2571 weight 0.10000E+01 volume 0.73718E-02 ppm1 10.009 ppm2 5.686 CV 1 OR { 2571} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HN )) ASSI { 2575} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 137 and name HN )) 4.700 2.700 1.300 peak 2575 weight 0.10000E+01 volume 0.84403E-03 ppm1 10.009 ppm2 2.955 CV 1 OR { 2575} (( segid " " and resid 135 and name HA1 )) (( segid " " and resid 137 and name HN )) OR { 2575} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 137 and name HN )) OR { 2575} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 137 and name HN )) OR { 2575} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 137 and name HN )) ASSI { 2576} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 137 and name HN )) 5.300 3.500 0.700 peak 2576 weight 0.10000E+01 volume 0.27897E-03 ppm1 10.010 ppm2 2.366 CV 1 OR { 2576} (( segid " " and resid 38 and name HG1 )) (( segid " " and resid 137 and name HN )) OR { 2576} (( segid " " and resid 124 and name HB )) (( segid " " and resid 137 and name HN )) ASSI { 2600} (( segid " " and resid 87 and name HA )) (( segid " " and resid 89 and name HN )) 4.300 2.300 1.700 peak 2600 weight 0.10000E+01 volume 0.94700E-03 ppm1 7.825 ppm2 4.339 CV 1 OR { 2600} (( segid " " and resid 85 and name HA )) (( segid " " and resid 89 and name HN )) ASSI { 2602} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 19 and name HN )) 4.900 3.000 1.100 peak 2602 weight 0.10000E+01 volume 0.67373E-03 ppm1 7.826 ppm2 2.958 CV 1 OR { 2602} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 19 and name HN )) OR { 2602} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 89 and name HN )) ASSI { 2603} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 89 and name HN )) 4.300 2.300 1.700 peak 2603 weight 0.10000E+01 volume 0.10554E-02 ppm1 7.824 ppm2 2.725 CV 1 OR { 2603} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 89 and name HN )) OR { 2603} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 89 and name HN )) ASSI { 2604} (( segid " " and resid 89 and name HB1 )) (( segid " " and resid 89 and name HN )) 3.300 1.400 1.400 peak 2604 weight 0.10000E+01 volume 0.46596E-02 ppm1 7.825 ppm2 1.706 CV 1 OR { 2604} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 19 and name HN )) OR { 2604} (( segid " " and resid 17 and name HG )) (( segid " " and resid 19 and name HN )) ASSI { 2631} (( segid " " and resid 27 and name HN )) (( segid " " and resid 37 and name HN )) 4.900 3.000 1.100 peak 2631 weight 0.10000E+01 volume 0.29658E-03 ppm1 9.391 ppm2 7.550 CV 1 OR { 2631} (( segid " " and resid 25 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 2633} ( segid " " and resid 37 and name HE% ) (( segid " " and resid 37 and name HN )) 4.800 2.800 1.200 peak 2633 weight 0.10000E+01 volume 0.42232E-03 ppm1 9.390 ppm2 7.153 CV 1 OR { 2633} ( segid " " and resid 29 and name HD% ) (( segid " " and resid 37 and name HN )) ASSI { 2638} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 37 and name HN )) 4.100 2.100 1.900 peak 2638 weight 0.10000E+01 volume 0.38844E-03 ppm1 9.388 ppm2 3.713 CV 1 OR { 2638} (( segid " " and resid 21 and name HA )) (( segid " " and resid 37 and name HN )) OR { 2638} (( segid " " and resid 26 and name HA2 )) (( segid " " and resid 37 and name HN )) ASSI { 2660} (( segid " " and resid 108 and name HG2 )) (( segid " " and resid 109 and name HN )) 4.300 2.300 1.700 peak 2660 weight 0.10000E+01 volume 0.14675E-02 ppm1 9.234 ppm2 1.491 CV 1 OR { 2660} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 109 and name HN )) ASSI { 2669} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HN )) 2.900 1.100 1.100 peak 2669 weight 0.10000E+01 volume 0.27035E-02 ppm1 8.608 ppm2 5.262 CV 1 OR { 2669} (( segid " " and resid 133 and name HA )) (( segid " " and resid 127 and name HN )) OR { 2669} (( segid " " and resid 110 and name HA )) (( segid " " and resid 127 and name HN )) ASSI { 2719} (( segid " " and resid 76 and name HA )) (( segid " " and resid 101 and name HN )) 3.700 1.700 1.700 peak 2719 weight 0.10000E+01 volume 0.28012E-02 ppm1 7.667 ppm2 4.125 CV 1 OR { 2719} (( segid " " and resid 96 and name HA )) (( segid " " and resid 101 and name HN )) ASSI { 2784} (( segid " " and resid 87 and name HA )) (( segid " " and resid 90 and name HN )) 3.300 1.300 1.300 peak 2784 weight 0.10000E+01 volume 0.24537E-02 ppm1 8.448 ppm2 4.354 CV 1 OR { 2784} (( segid " " and resid 85 and name HA )) (( segid " " and resid 90 and name HN )) ASSI { 2810} ( segid " " and resid 96 and name HD% ) (( segid " " and resid 101 and name HN )) 4.600 2.700 1.400 peak 2810 weight 0.10000E+01 volume 0.10520E-02 ppm1 7.668 ppm2 7.490 CV 1 OR { 2810} (( segid " " and resid 76 and name HN )) (( segid " " and resid 101 and name HN )) ASSI { 2812} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HN )) 2.600 0.800 0.800 peak 2812 weight 0.10000E+01 volume 0.56004E-02 ppm1 7.667 ppm2 3.946 CV 1 OR { 2812} (( segid " " and resid 97 and name HA )) (( segid " " and resid 101 and name HN )) OR { 2812} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 101 and name HN )) ASSI { 2814} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 3.600 1.600 1.600 peak 2814 weight 0.10000E+01 volume 0.14507E-02 ppm1 7.666 ppm2 3.532 CV 1 OR { 2814} (( segid " " and resid 102 and name HA )) (( segid " " and resid 101 and name HN )) ASSI { 2819} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 101 and name HN )) 4.200 2.300 1.800 peak 2819 weight 0.10000E+01 volume 0.11157E-02 ppm1 7.670 ppm2 0.996 CV 1 OR { 2819} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name HN )) ASSI { 2887} (( segid " " and resid 92 and name HB )) (( segid " " and resid 90 and name HN )) 4.000 2.000 2.000 peak 2887 weight 0.10000E+01 volume 0.11711E-02 ppm1 8.450 ppm2 2.370 CV 1 OR { 2887} (( segid " " and resid 88 and name HG1 )) (( segid " " and resid 90 and name HN )) OR { 2887} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 90 and name HN )) ASSI { 2911} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HN )) 2.000 0.500 0.500 peak 2911 weight 0.10000E+01 volume 0.15213E-01 ppm1 7.842 ppm2 2.062 CV 1 OR { 2911} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 19 and name HN )) OR { 2911} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HN )) ASSI { 2920} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HN )) 3.000 1.100 1.100 peak 2920 weight 0.10000E+01 volume 0.16943E-02 ppm1 7.774 ppm2 5.275 CV 1 OR { 2920} (( segid " " and resid 127 and name HA )) (( segid " " and resid 133 and name HN )) ASSI { 3021} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HN )) 3.500 1.500 1.500 peak 3021 weight 0.10000E+01 volume 0.22007E-02 ppm1 7.846 ppm2 7.676 CV 1 OR { 3021} (( segid " " and resid 15 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 3024} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.300 0.700 0.700 peak 3024 weight 0.10000E+01 volume 0.10289E-01 ppm1 7.845 ppm2 4.016 CV 1 OR { 3024} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) OR { 3024} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 3025} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 3.200 1.200 1.200 peak 3025 weight 0.10000E+01 volume 0.22222E-02 ppm1 7.846 ppm2 3.747 CV 1 OR { 3025} (( segid " " and resid 17 and name HA )) (( segid " " and resid 19 and name HN )) OR { 3025} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 3109} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 3.800 1.800 1.800 peak 3109 weight 0.10000E+01 volume 0.88396E-03 ppm1 8.345 ppm2 8.791 CV 1 OR { 3109} (( segid " " and resid 138 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 3110} (( segid " " and resid 139 and name HN )) (( segid " " and resid 140 and name HN )) 3.700 1.700 1.700 peak 3110 weight 0.10000E+01 volume 0.17201E-02 ppm1 8.345 ppm2 8.510 CV 1 OR { 3110} (( segid " " and resid 121 and name HN )) (( segid " " and resid 140 and name HN )) ASSI { 3142} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) 3.400 1.500 1.500 peak 3142 weight 0.10000E+01 volume 0.30106E-02 ppm1 7.848 ppm2 1.522 CV 1 OR { 3142} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) OR { 3142} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 19 and name HN )) OR { 3142} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 19 and name HN )) OR { 3142} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 19 and name HN )) ASSI { 3206} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 62 and name HN )) 2.300 0.600 0.600 peak 3206 weight 0.10000E+01 volume 0.47825E-02 ppm1 8.487 ppm2 3.929 CV 1 OR { 3206} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 3209} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 62 and name HN )) 3.500 1.600 1.600 peak 3209 weight 0.10000E+01 volume 0.75284E-03 ppm1 8.488 ppm2 0.555 CV 1 OR { 3209} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 62 and name HN )) ASSI { 3260} (( segid " " and resid 65 and name HG2 )) (( segid " " and resid 117 and name HN )) 3.000 1.100 1.100 peak 3260 weight 0.10000E+01 volume 0.28757E-02 ppm1 8.044 ppm2 1.980 CV 1 OR { 3260} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HN )) OR { 3260} (( segid " " and resid 65 and name HG1 )) (( segid " " and resid 117 and name HN )) ASSI { 3309} (( segid " " and resid 131 and name HA1 )) (( segid " " and resid 128 and name HN )) 5.100 3.300 0.900 peak 3309 weight 0.10000E+01 volume 0.46353E-03 ppm1 9.581 ppm2 4.287 CV 1 OR { 3309} (( segid " " and resid 130 and name HA )) (( segid " " and resid 128 and name HN )) ASSI { 3314} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 128 and name HN )) 4.800 2.900 1.200 peak 3314 weight 0.10000E+01 volume 0.47512E-03 ppm1 9.583 ppm2 1.450 CV 1 OR { 3314} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 128 and name HN )) ASSI { 3320} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) 4.300 2.300 1.700 peak 3320 weight 0.10000E+01 volume 0.70273E-03 ppm1 8.277 ppm2 7.548 CV 1 OR { 3320} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 3337} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HN )) 4.700 2.800 1.300 peak 3337 weight 0.10000E+01 volume 0.62096E-03 ppm1 7.667 ppm2 0.938 CV 1 OR { 3337} ( segid " " and resid 53 and name HG2%) (( segid " " and resid 56 and name HN )) ASSI { 3371} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 3371 weight 0.10000E+01 volume 0.52810E-02 ppm1 8.278 ppm2 7.813 CV 1 OR { 3371} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 130 and name HN )) ASSI { 3372} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 3372 weight 0.10000E+01 volume 0.74685E-02 ppm1 8.278 ppm2 4.046 CV 1 OR { 3372} (( segid " " and resid 129 and name HD1 )) (( segid " " and resid 130 and name HN )) ASSI { 3373} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 3.000 1.100 1.100 peak 3373 weight 0.10000E+01 volume 0.21429E-02 ppm1 8.278 ppm2 3.738 CV 1 OR { 3373} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 3376} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HN )) 3.200 1.300 1.300 peak 3376 weight 0.10000E+01 volume 0.22952E-02 ppm1 8.278 ppm2 2.403 CV 1 OR { 3376} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HN )) ASSI { 3378} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 3378 weight 0.10000E+01 volume 0.79825E-03 ppm1 8.279 ppm2 1.758 CV 1 OR { 3378} (( segid " " and resid 17 and name HG )) (( segid " " and resid 22 and name HN )) OR { 3378} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 130 and name HN )) OR { 3378} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 130 and name HN )) OR { 3378} (( segid " " and resid 41 and name HG )) (( segid " " and resid 130 and name HN )) OR { 3378} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 130 and name HN )) ASSI { 3379} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 22 and name HN )) 4.600 2.600 1.400 peak 3379 weight 0.10000E+01 volume 0.70590E-03 ppm1 8.278 ppm2 1.710 CV 1 OR { 3379} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 22 and name HN )) OR { 3379} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 22 and name HN )) ASSI { 3380} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 130 and name HN )) 4.200 2.200 1.800 peak 3380 weight 0.10000E+01 volume 0.50115E-03 ppm1 8.279 ppm2 0.853 CV 1 OR { 3380} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 130 and name HN )) OR { 3380} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 22 and name HN )) ASSI { 3442} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 130 and name HN )) 4.100 2.100 1.900 peak 3442 weight 0.10000E+01 volume 0.11848E-02 ppm1 8.280 ppm2 1.676 CV 1 OR { 3442} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 130 and name HN )) OR { 3442} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 130 and name HN )) ASSI { 3463} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) 2.800 0.900 0.900 peak 3463 weight 0.10000E+01 volume 0.54702E-02 ppm1 8.319 ppm2 4.252 CV 1 OR { 3463} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HN )) ASSI { 3467} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 130 and name HN )) 4.900 3.000 1.100 peak 3467 weight 0.10000E+01 volume 0.47630E-03 ppm1 8.316 ppm2 1.181 CV 1 OR { 3467} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 130 and name HN )) ASSI { 3469} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 130 and name HN )) 4.300 2.300 1.700 peak 3469 weight 0.10000E+01 volume 0.93369E-03 ppm1 8.318 ppm2 0.865 CV 1 OR { 3469} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 130 and name HN )) ASSI { 3474} (( segid " " and resid 105 and name HN )) (( segid " " and resid 107 and name HN )) 3.900 1.900 1.900 peak 3474 weight 0.10000E+01 volume 0.20204E-02 ppm1 8.020 ppm2 8.252 CV 1 OR { 3474} (( segid " " and resid 104 and name HN )) (( segid " " and resid 107 and name HN )) ASSI { 3478} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HN )) 2.600 0.800 0.800 peak 3478 weight 0.10000E+01 volume 0.44257E-02 ppm1 8.020 ppm2 4.825 CV 1 OR { 3478} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name HN )) ASSI { 3479} (( segid " " and resid 105 and name HA )) (( segid " " and resid 107 and name HN )) 4.000 2.000 2.000 peak 3479 weight 0.10000E+01 volume 0.51687E-03 ppm1 8.021 ppm2 4.335 CV 1 OR { 3479} (( segid " " and resid 13 and name HA )) (( segid " " and resid 107 and name HN )) ASSI { 3502} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 107 and name HN )) 3.800 1.800 1.800 peak 3502 weight 0.10000E+01 volume 0.89550E-03 ppm1 8.018 ppm2 7.823 CV 1 OR { 3502} (( segid " " and resid 19 and name HN )) (( segid " " and resid 107 and name HN )) ASSI { 3548} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 3548 weight 0.10000E+01 volume 0.26121E-02 ppm1 8.372 ppm2 2.049 CV 1 OR { 3548} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 53 and name HN )) OR { 3548} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 3553} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 53 and name HN )) 5.000 3.100 1.000 peak 3553 weight 0.10000E+01 volume 0.59733E-03 ppm1 8.372 ppm2 0.548 CV 1 OR { 3553} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 53 and name HN )) ASSI { 3554} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 53 and name HN )) 5.100 3.300 0.900 peak 3554 weight 0.10000E+01 volume 0.37070E-03 ppm1 8.373 ppm2 0.445 CV 1 OR { 3554} ( segid " " and resid 54 and name HG1%) (( segid " " and resid 53 and name HN )) ASSI { 3565} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 23 and name HN )) 3.500 1.500 1.500 peak 3565 weight 0.10000E+01 volume 0.62994E-03 ppm1 7.808 ppm2 2.402 CV 1 OR { 3565} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 23 and name HN )) ASSI { 3567} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 23 and name HN )) 5.400 3.700 0.600 peak 3567 weight 0.10000E+01 volume 0.28627E-03 ppm1 7.809 ppm2 1.695 CV 1 OR { 3567} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 23 and name HN )) OR { 3567} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 23 and name HN )) ASSI { 3568} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 23 and name HN )) 2.300 0.700 0.700 peak 3568 weight 0.10000E+01 volume 0.11110E-01 ppm1 7.809 ppm2 1.341 CV 1 OR { 3568} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 23 and name HN )) ASSI { 3596} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 23 and name HN )) 5.400 3.600 0.600 peak 3596 weight 0.10000E+01 volume 0.26531E-03 ppm1 7.807 ppm2 2.919 CV 1 OR { 3596} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 23 and name HN )) OR { 3596} (( segid " " and resid 21 and name HE1 )) (( segid " " and resid 23 and name HN )) ASSI { 3599} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 23 and name HN )) 4.200 2.200 1.800 peak 3599 weight 0.10000E+01 volume 0.13159E-02 ppm1 7.809 ppm2 0.497 CV 1 OR { 3599} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 23 and name HN )) ASSI { 3624} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 3624 weight 0.10000E+01 volume 0.41800E-02 ppm1 8.492 ppm2 8.201 CV 1 OR { 3624} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HN )) ASSI { 3631} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 3631 weight 0.10000E+01 volume 0.48728E-02 ppm1 8.492 ppm2 2.704 CV 1 OR { 3631} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) ASSI { 3645} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.300 0.700 0.700 peak 3645 weight 0.10000E+01 volume 0.11865E-01 ppm1 7.501 ppm2 4.108 CV 1 OR { 3645} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 3648} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) 3.400 1.500 1.500 peak 3648 weight 0.10000E+01 volume 0.17630E-02 ppm1 7.502 ppm2 3.075 CV 1 OR { 3648} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 3660} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 3660 weight 0.10000E+01 volume 0.63043E-02 ppm1 6.690 ppm2 0.995 CV 1 OR { 3660} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 50 and name HN )) ASSI { 3681} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 3681 weight 0.10000E+01 volume 0.11286E-01 ppm1 6.690 ppm2 3.659 CV 1 OR { 3681} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 50 and name HN )) ASSI { 3683} (( segid " " and resid 53 and name HB )) (( segid " " and resid 50 and name HN )) 3.200 1.300 1.300 peak 3683 weight 0.10000E+01 volume 0.49173E-02 ppm1 6.690 ppm2 1.799 CV 1 OR { 3683} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 50 and name HN )) ASSI { 3706} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 2.400 0.700 0.700 peak 3706 weight 0.10000E+01 volume 0.53476E-02 ppm1 7.319 ppm2 8.258 CV 1 OR { 3706} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HN )) ASSI { 3717} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 106 and name HN )) 4.300 2.300 1.700 peak 3717 weight 0.10000E+01 volume 0.99542E-03 ppm1 7.318 ppm2 1.843 CV 1 OR { 3717} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 106 and name HN )) OR { 3717} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 106 and name HN )) OR { 3717} (( segid " " and resid 103 and name HB )) (( segid " " and resid 106 and name HN )) ASSI { 3718} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 106 and name HN )) 5.300 3.400 0.700 peak 3718 weight 0.10000E+01 volume 0.42821E-03 ppm1 7.320 ppm2 1.665 CV 1 OR { 3718} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 106 and name HN )) OR { 3718} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 106 and name HN )) OR { 3718} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 106 and name HN )) ASSI { 3720} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 106 and name HN )) 4.600 2.700 1.400 peak 3720 weight 0.10000E+01 volume 0.62958E-03 ppm1 7.319 ppm2 0.813 CV 1 OR { 3720} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 106 and name HN )) OR { 3720} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 106 and name HN )) ASSI { 3721} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 3721 weight 0.10000E+01 volume 0.15749E-02 ppm1 7.320 ppm2 0.652 CV 1 OR { 3721} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 106 and name HN )) ASSI { 3767} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 63 and name HN )) 4.100 2.100 1.900 peak 3767 weight 0.10000E+01 volume 0.89079E-03 ppm1 8.580 ppm2 4.129 CV 1 OR { 3767} (( segid " " and resid 65 and name HD2 )) (( segid " " and resid 63 and name HN )) ASSI { 3828} (( segid " " and resid 8 and name HA2 )) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.000 peak 3828 weight 0.10000E+01 volume 0.42634E-02 ppm1 8.263 ppm2 3.970 CV 1 OR { 3828} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HN )) OR { 3828} (( segid " " and resid 8 and name HA1 )) (( segid " " and resid 9 and name HN )) ASSI { 3829} (( segid " " and resid 100 and name HA )) (( segid " " and resid 104 and name HN )) 3.700 1.700 1.700 peak 3829 weight 0.10000E+01 volume 0.11146E-02 ppm1 8.263 ppm2 3.533 CV 1 OR { 3829} (( segid " " and resid 102 and name HA )) (( segid " " and resid 104 and name HN )) ASSI { 3831} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 104 and name HN )) 3.200 1.300 1.300 peak 3831 weight 0.10000E+01 volume 0.27526E-03 ppm1 8.266 ppm2 2.864 CV 1 OR { 3831} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 104 and name HN )) ASSI { 3834} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HN )) 2.300 0.700 0.700 peak 3834 weight 0.10000E+01 volume 0.76574E-02 ppm1 8.265 ppm2 1.849 CV 1 OR { 3834} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HN )) OR { 3834} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HN )) ASSI { 3835} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 104 and name HN )) 3.200 1.300 1.300 peak 3835 weight 0.10000E+01 volume 0.64322E-02 ppm1 8.263 ppm2 1.647 CV 1 OR { 3835} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 104 and name HN )) OR { 3835} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 104 and name HN )) ASSI { 3838} ( segid " " and resid 71 and name HD1%) (( segid " " and resid 104 and name HN )) 4.300 2.400 1.700 peak 3838 weight 0.10000E+01 volume 0.80362E-03 ppm1 8.261 ppm2 0.778 CV 1 OR { 3838} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 104 and name HN )) ASSI { 3881} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HD21)) 4.400 2.400 1.600 peak 3881 weight 0.10000E+01 volume 0.39256E-03 ppm1 7.307 ppm2 8.253 CV 1 OR { 3881} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HD21)) ASSI { 3893} (( segid " " and resid 104 and name HN )) (( segid " " and resid 106 and name HD22)) 4.200 2.200 1.800 peak 3893 weight 0.10000E+01 volume 0.44707E-03 ppm1 7.749 ppm2 8.271 CV 1 OR { 3893} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HD22)) ASSI { 3895} (( segid " " and resid 102 and name HA )) (( segid " " and resid 106 and name HD22)) 3.800 1.800 1.800 peak 3895 weight 0.10000E+01 volume 0.14641E-02 ppm1 7.751 ppm2 3.498 CV 1 OR { 3895} (( segid " " and resid 16 and name HA )) (( segid " " and resid 106 and name HD22)) ASSI { 3897} (( segid " " and resid 20 and name HG )) (( segid " " and resid 106 and name HD22)) 4.200 2.200 1.800 peak 3897 weight 0.10000E+01 volume 0.68517E-03 ppm1 7.752 ppm2 0.989 CV 1 OR { 3897} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 106 and name HD22)) ASSI { 3898} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 106 and name HD22)) 3.400 1.500 1.500 peak 3898 weight 0.10000E+01 volume 0.26380E-02 ppm1 7.751 ppm2 0.681 CV 1 OR { 3898} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 106 and name HD22)) ASSI { 3901} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HD21)) 3.000 1.100 1.100 peak 3901 weight 0.10000E+01 volume 0.48329E-03 ppm1 7.309 ppm2 7.998 CV 1 OR { 3901} (( segid " " and resid 98 and name HN )) (( segid " " and resid 106 and name HD21)) ASSI { 3905} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HD21)) 3.600 1.600 1.600 peak 3905 weight 0.10000E+01 volume 0.65971E-03 ppm1 7.308 ppm2 3.892 CV 1 OR { 3905} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 106 and name HD21)) ASSI { 3906} (( segid " " and resid 102 and name HA )) (( segid " " and resid 106 and name HD21)) 4.300 2.300 1.700 peak 3906 weight 0.10000E+01 volume 0.14229E-02 ppm1 7.308 ppm2 3.501 CV 1 OR { 3906} (( segid " " and resid 16 and name HA )) (( segid " " and resid 106 and name HD21)) ASSI { 3908} (( segid " " and resid 102 and name HB )) (( segid " " and resid 106 and name HD21)) 4.000 2.000 2.000 peak 3908 weight 0.10000E+01 volume 0.57932E-03 ppm1 7.306 ppm2 2.059 CV 1 OR { 3908} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 106 and name HD21)) ASSI { 3910} (( segid " " and resid 20 and name HG )) (( segid " " and resid 106 and name HD21)) 4.500 2.500 1.500 peak 3910 weight 0.10000E+01 volume 0.64136E-03 ppm1 7.306 ppm2 0.989 CV 1 OR { 3910} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 106 and name HD21)) ASSI { 3911} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 106 and name HD21)) 6.000 4.600 0.000 peak 3911 weight 0.10000E+01 volume 0.24664E-03 ppm1 7.308 ppm2 0.841 CV 1 OR { 3911} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 106 and name HD21)) ASSI { 3912} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 106 and name HD21)) 3.400 1.400 1.400 peak 3912 weight 0.10000E+01 volume 0.26761E-02 ppm1 7.309 ppm2 0.679 CV 1 OR { 3912} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 106 and name HD21)) ASSI { 3921} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 2.200 0.600 0.600 peak 3921 weight 0.10000E+01 volume 0.46094E-02 ppm1 7.842 ppm2 7.667 CV 1 OR { 3921} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 3935} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 106 and name HD22)) 4.600 2.600 1.400 peak 3935 weight 0.10000E+01 volume 0.62544E-03 ppm1 7.757 ppm2 2.035 CV 1 OR { 3935} (( segid " " and resid 16 and name HB )) (( segid " " and resid 106 and name HD22)) ASSI { 3936} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 106 and name HD22)) 5.600 4.000 0.400 peak 3936 weight 0.10000E+01 volume 0.27421E-03 ppm1 7.764 ppm2 1.689 CV 1 OR { 3936} (( segid " " and resid 103 and name HG11)) (( segid " " and resid 106 and name HD22)) OR { 3936} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 106 and name HD22)) OR { 3936} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 106 and name HD22)) OR { 3936} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 106 and name HD22)) OR { 3936} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 13 and name HD21)) OR { 3936} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 106 and name HD22)) ASSI { 3959} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HN )) 2.900 1.000 1.000 peak 3959 weight 0.10000E+01 volume 0.38839E-02 ppm1 8.812 ppm2 4.682 CV 1 OR { 3959} (( segid " " and resid 123 and name HA )) (( segid " " and resid 138 and name HN )) ASSI { 3963} ( segid " " and resid 140 and name HG2%) (( segid " " and resid 138 and name HN )) 3.700 1.700 1.700 peak 3963 weight 0.10000E+01 volume 0.33809E-03 ppm1 8.815 ppm2 0.951 CV 1 OR { 3963} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 138 and name HN )) OR { 3963} (( segid " " and resid 28 and name HG )) (( segid " " and resid 138 and name HN )) OR { 3963} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 138 and name HN )) ASSI { 3992} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HD22)) 4.800 2.900 1.200 peak 3992 weight 0.10000E+01 volume 0.44643E-03 ppm1 8.109 ppm2 4.335 CV 1 OR { 3992} (( segid " " and resid 131 and name HA1 )) (( segid " " and resid 13 and name HD22)) ASSI { 3997} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 13 and name HD22)) 3.500 1.500 1.500 peak 3997 weight 0.10000E+01 volume 0.21554E-02 ppm1 8.109 ppm2 0.834 CV 1 OR { 3997} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HD22)) ASSI { 4006} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 13 and name HD21)) 3.800 1.800 1.800 peak 4006 weight 0.10000E+01 volume 0.18467E-02 ppm1 7.802 ppm2 0.828 CV 1 OR { 4006} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 13 and name HD21)) ASSI { 4045} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 45 and name HN )) 4.300 2.300 1.700 peak 4045 weight 0.10000E+01 volume 0.70012E-03 ppm1 7.496 ppm2 2.080 CV 1 OR { 4045} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 45 and name HN )) OR { 4045} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 45 and name HN )) ASSI { 4087} ( segid " " and resid 130 and name HB% ) (( segid " " and resid 132 and name HN )) 3.400 1.400 1.400 peak 4087 weight 0.10000E+01 volume 0.23284E-02 ppm1 7.291 ppm2 1.443 CV 1 OR { 4087} ( segid " " and resid 46 and name HB% ) (( segid " " and resid 132 and name HN )) ASSI { 4119} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 4119 weight 0.10000E+01 volume 0.42388E-02 ppm1 8.853 ppm2 7.562 CV 1 OR { 4119} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) ASSI { 4122} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.400 0.700 0.700 peak 4122 weight 0.10000E+01 volume 0.12178E-01 ppm1 8.853 ppm2 4.540 CV 1 OR { 4122} (( segid " " and resid 27 and name HA )) (( segid " " and resid 26 and name HN )) ASSI { 4125} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 4125 weight 0.10000E+01 volume 0.16126E-02 ppm1 8.853 ppm2 2.911 CV 1 OR { 4125} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 26 and name HN )) ASSI { 4127} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HN )) 5.200 3.300 0.800 peak 4127 weight 0.10000E+01 volume 0.36883E-03 ppm1 8.852 ppm2 1.717 CV 1 OR { 4127} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 26 and name HN )) ASSI { 4152} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HN )) 4.800 2.900 1.200 peak 4152 weight 0.10000E+01 volume 0.28174E-03 ppm1 8.455 ppm2 8.274 CV 1 OR { 4152} (( segid " " and resid 130 and name HN )) (( segid " " and resid 14 and name HN )) ASSI { 4182} (( segid " " and resid 41 and name HG )) (( segid " " and resid 14 and name HN )) 4.900 3.000 1.100 peak 4182 weight 0.10000E+01 volume 0.24675E-03 ppm1 8.451 ppm2 1.779 CV 1 OR { 4182} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 4182} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 14 and name HN )) ASSI { 4184} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 14 and name HN )) 4.200 2.200 1.800 peak 4184 weight 0.10000E+01 volume 0.66426E-03 ppm1 8.452 ppm2 0.828 CV 1 OR { 4184} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 14 and name HN )) ASSI { 4196} (( segid " " and resid 105 and name HN )) (( segid " " and resid 109 and name HD22)) 4.800 2.900 1.200 peak 4196 weight 0.10000E+01 volume 0.48613E-03 ppm1 7.794 ppm2 8.270 CV 1 OR { 4196} (( segid " " and resid 103 and name HN )) (( segid " " and resid 109 and name HD22)) ASSI { 4212} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HD22)) 5.400 3.700 0.600 peak 4212 weight 0.10000E+01 volume 0.59713E-03 ppm1 7.788 ppm2 1.743 CV 1 OR { 4212} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HD22)) OR { 4212} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 109 and name HD22)) OR { 4212} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HD22)) ASSI { 4214} (( segid " " and resid 108 and name HG1 )) (( segid " " and resid 109 and name HD22)) 4.900 3.000 1.100 peak 4214 weight 0.10000E+01 volume 0.48805E-03 ppm1 7.790 ppm2 1.365 CV 1 OR { 4214} (( segid " " and resid 107 and name HG )) (( segid " " and resid 109 and name HD22)) OR { 4214} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 109 and name HD22)) ASSI { 4223} (( segid " " and resid 105 and name HN )) (( segid " " and resid 109 and name HD21)) 5.200 3.400 0.800 peak 4223 weight 0.10000E+01 volume 0.45751E-03 ppm1 6.902 ppm2 8.230 CV 1 OR { 4223} (( segid " " and resid 104 and name HN )) (( segid " " and resid 109 and name HD21)) ASSI { 4239} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 109 and name HD21)) 5.800 4.200 0.200 peak 4239 weight 0.10000E+01 volume 0.55382E-03 ppm1 6.900 ppm2 1.744 CV 1 OR { 4239} (( segid " " and resid 108 and name HB1 )) (( segid " " and resid 109 and name HD21)) OR { 4239} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 109 and name HD21)) OR { 4239} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HD21)) ASSI { 4242} (( segid " " and resid 108 and name HG1 )) (( segid " " and resid 109 and name HD21)) 5.700 4.100 0.300 peak 4242 weight 0.10000E+01 volume 0.37085E-03 ppm1 6.900 ppm2 1.369 CV 1 OR { 4242} (( segid " " and resid 107 and name HG )) (( segid " " and resid 109 and name HD21)) OR { 4242} (( segid " " and resid 71 and name HG12)) (( segid " " and resid 109 and name HD21)) ASSI { 4268} (( segid " " and resid 105 and name HN )) (( segid " " and resid 109 and name HD22)) 5.400 3.600 0.600 peak 4268 weight 0.10000E+01 volume 0.28097E-03 ppm1 7.787 ppm2 8.196 CV 1 OR { 4268} (( segid " " and resid 104 and name HN )) (( segid " " and resid 109 and name HD22)) ASSI { 4337} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.500 1.500 1.500 peak 4337 weight 0.10000E+01 volume 0.23409E-02 ppm1 6.730 ppm2 4.165 CV 1 OR { 4337} (( segid " " and resid 82 and name HA )) (( segid " " and resid 84 and name HN )) ASSI { 4339} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 4339 weight 0.10000E+01 volume 0.44654E-02 ppm1 6.730 ppm2 3.162 CV 1 OR { 4339} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 84 and name HN )) ASSI { 4356} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 4356 weight 0.10000E+01 volume 0.36556E-02 ppm1 7.847 ppm2 4.475 CV 1 OR { 4356} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) ASSI { 4360} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 4360 weight 0.10000E+01 volume 0.38304E-02 ppm1 7.848 ppm2 1.805 CV 1 OR { 4360} (( segid " " and resid 141 and name HB )) (( segid " " and resid 33 and name HN )) OR { 4360} (( segid " " and resid 140 and name HB )) (( segid " " and resid 33 and name HN )) ASSI { 4361} ( segid " " and resid 140 and name HG1%) (( segid " " and resid 33 and name HN )) 4.200 2.200 1.800 peak 4361 weight 0.10000E+01 volume 0.13601E-02 ppm1 7.848 ppm2 1.044 CV 1 OR { 4361} ( segid " " and resid 141 and name HG2%) (( segid " " and resid 33 and name HN )) ASSI { 4375} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.900 1.100 1.100 peak 4375 weight 0.10000E+01 volume 0.74030E-02 ppm1 7.775 ppm2 3.072 CV 1 OR { 4375} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) ASSI { 4378} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 75 and name HN )) 5.300 3.500 0.700 peak 4378 weight 0.10000E+01 volume 0.44390E-03 ppm1 7.775 ppm2 0.998 CV 1 OR { 4378} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 75 and name HN )) ASSI { 4379} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 75 and name HN )) 5.400 3.600 0.600 peak 4379 weight 0.10000E+01 volume 0.11066E-02 ppm1 7.773 ppm2 0.761 CV 1 OR { 4379} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 75 and name HN )) ASSI { 4380} ( segid " " and resid 112 and name HG2%) (( segid " " and resid 75 and name HN )) 3.300 1.400 1.400 peak 4380 weight 0.10000E+01 volume 0.17072E-02 ppm1 7.773 ppm2 0.619 CV 1 OR { 4380} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 4407} (( segid " " and resid 134 and name HN )) (( segid " " and resid 126 and name HN )) 2.700 0.900 0.900 peak 4407 weight 0.10000E+01 volume 0.31004E-02 ppm1 9.014 ppm2 8.608 CV 1 OR { 4407} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) ASSI { 4409} (( segid " " and resid 110 and name HA )) (( segid " " and resid 126 and name HN )) 3.400 1.400 1.400 peak 4409 weight 0.10000E+01 volume 0.12765E-02 ppm1 9.015 ppm2 5.260 CV 1 OR { 4409} (( segid " " and resid 133 and name HA )) (( segid " " and resid 126 and name HN )) ASSI { 4413} (( segid " " and resid 110 and name HB1 )) (( segid " " and resid 126 and name HN )) 3.600 1.600 1.600 peak 4413 weight 0.10000E+01 volume 0.54586E-03 ppm1 9.015 ppm2 1.831 CV 1 OR { 4413} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 126 and name HN )) OR { 4413} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 126 and name HN )) ASSI { 4414} (( segid " " and resid 125 and name HB )) (( segid " " and resid 126 and name HN )) 3.100 1.200 1.200 peak 4414 weight 0.10000E+01 volume 0.15386E-02 ppm1 9.015 ppm2 1.685 CV 1 OR { 4414} (( segid " " and resid 71 and name HB )) (( segid " " and resid 126 and name HN )) ASSI { 4416} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 126 and name HN )) 3.200 1.300 1.300 peak 4416 weight 0.10000E+01 volume 0.55802E-02 ppm1 9.015 ppm2 0.857 CV 1 OR { 4416} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 126 and name HN )) OR { 4416} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 126 and name HN )) OR { 4416} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 126 and name HN )) OR { 4416} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 126 and name HN )) ASSI { 4417} ( segid " " and resid 125 and name HD1%) (( segid " " and resid 126 and name HN )) 3.800 1.800 1.800 peak 4417 weight 0.10000E+01 volume 0.36272E-02 ppm1 9.015 ppm2 0.618 CV 1 OR { 4417} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 126 and name HN )) ASSI { 4436} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 19 and name HE22)) 5.200 3.400 0.800 peak 4436 weight 0.10000E+01 volume 0.30403E-03 ppm1 6.757 ppm2 1.623 CV 1 OR { 4436} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 19 and name HE22)) OR { 4436} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 62 and name HE22)) ASSI { 4492} (( segid " " and resid 104 and name HA )) (( segid " " and resid 19 and name HE22)) 4.600 2.600 1.400 peak 4492 weight 0.10000E+01 volume 0.29136E-03 ppm1 6.761 ppm2 3.980 CV 1 OR { 4492} (( segid " " and resid 103 and name HA )) (( segid " " and resid 19 and name HE22)) OR { 4492} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HE22)) ASSI { 4493} (( segid " " and resid 53 and name HA )) (( segid " " and resid 62 and name HE22)) 5.800 4.200 0.200 peak 4493 weight 0.10000E+01 volume 0.46578E-03 ppm1 6.760 ppm2 3.652 CV 1 OR { 4493} (( segid " " and resid 55 and name HA )) (( segid " " and resid 62 and name HE22)) ASSI { 4529} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 62 and name HE21)) 5.300 3.500 0.700 peak 4529 weight 0.10000E+01 volume 0.33927E-03 ppm1 7.580 ppm2 0.541 CV 1 OR { 4529} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 62 and name HE21)) ASSI { 4533} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HE22)) 3.900 1.900 1.900 peak 4533 weight 0.10000E+01 volume 0.13397E-02 ppm1 6.761 ppm2 2.362 CV 1 OR { 4533} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HE22)) OR { 4533} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HE22)) ASSI { 4534} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HE22)) 5.100 3.200 0.900 peak 4534 weight 0.10000E+01 volume 0.53169E-03 ppm1 6.762 ppm2 2.010 CV 1 OR { 4534} (( segid " " and resid 16 and name HB )) (( segid " " and resid 19 and name HE22)) OR { 4534} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HE22)) OR { 4534} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HE22)) ASSI { 4580} (( segid " " and resid 104 and name HA )) (( segid " " and resid 19 and name HE22)) 4.800 2.900 1.200 peak 4580 weight 0.10000E+01 volume 0.34303E-03 ppm1 6.760 ppm2 3.962 CV 1 OR { 4580} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HE22)) OR { 4580} (( segid " " and resid 103 and name HA )) (( segid " " and resid 19 and name HE22)) OR { 4580} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HE22)) ASSI { 4595} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HE21)) 4.500 2.500 1.500 peak 4595 weight 0.10000E+01 volume 0.34907E-03 ppm1 7.457 ppm2 2.056 CV 1 OR { 4595} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 19 and name HE21)) ASSI { 4606} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HE21)) 4.800 2.900 1.200 peak 4606 weight 0.10000E+01 volume 0.37004E-03 ppm1 7.460 ppm2 7.824 CV 1 OR { 4606} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HE21)) ASSI { 4609} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HE21)) 3.200 1.300 1.300 peak 4609 weight 0.10000E+01 volume 0.85163E-03 ppm1 7.460 ppm2 2.401 CV 1 OR { 4609} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 19 and name HE21)) OR { 4609} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 19 and name HE21)) ASSI { 4610} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HE21)) 4.900 3.000 1.100 peak 4610 weight 0.10000E+01 volume 0.35376E-03 ppm1 7.458 ppm2 2.019 CV 1 OR { 4610} (( segid " " and resid 16 and name HB )) (( segid " " and resid 19 and name HE21)) ASSI { 4658} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HE21)) 4.500 2.600 1.500 peak 4658 weight 0.10000E+01 volume 0.78097E-03 ppm1 7.566 ppm2 2.089 CV 1 OR { 4658} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HE21)) OR { 4658} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 22 and name HE21)) ASSI { 4672} (( segid " " and resid 87 and name HA )) (( segid " " and resid 90 and name HD21)) 3.900 1.900 1.900 peak 4672 weight 0.10000E+01 volume 0.11972E-02 ppm1 7.310 ppm2 4.362 CV 1 OR { 4672} (( segid " " and resid 85 and name HA )) (( segid " " and resid 90 and name HD21)) ASSI { 4715} (( segid " " and resid 19 and name HA )) (( segid " " and resid 22 and name HE22)) 5.400 3.600 0.600 peak 4715 weight 0.10000E+01 volume 0.67877E-03 ppm1 6.744 ppm2 4.024 CV 1 OR { 4715} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HE22)) ASSI { 4718} (( segid " " and resid 81 and name HB1 )) (( segid " " and resid 82 and name HE21)) 4.700 2.800 1.300 peak 4718 weight 0.10000E+01 volume 0.90459E-03 ppm1 6.742 ppm2 2.318 CV 1 OR { 4718} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 22 and name HE22)) OR { 4718} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 22 and name HE22)) ASSI { 4727} (( segid " " and resid 84 and name HA )) (( segid " " and resid 90 and name HD22)) 3.400 1.500 1.500 peak 4727 weight 0.10000E+01 volume 0.13788E-02 ppm1 6.663 ppm2 4.704 CV 1 OR { 4727} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HD22)) ASSI { 4728} (( segid " " and resid 87 and name HA )) (( segid " " and resid 90 and name HD22)) 3.900 1.900 1.900 peak 4728 weight 0.10000E+01 volume 0.12106E-02 ppm1 6.661 ppm2 4.357 CV 1 OR { 4728} (( segid " " and resid 85 and name HA )) (( segid " " and resid 90 and name HD22)) ASSI { 4729} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 90 and name HD22)) 4.100 2.100 1.900 peak 4729 weight 0.10000E+01 volume 0.97983E-03 ppm1 6.661 ppm2 3.167 CV 1 OR { 4729} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 90 and name HD22)) ASSI { 4825} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HE22)) 5.100 3.300 0.900 peak 4825 weight 0.10000E+01 volume 0.46020E-03 ppm1 7.197 ppm2 4.168 CV 1 OR { 4825} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HE22)) ASSI { 4836} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HE21)) 6.000 4.800 0.000 peak 4836 weight 0.10000E+01 volume 0.38670E-03 ppm1 6.751 ppm2 4.170 CV 1 OR { 4836} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HE21)) ASSI { 4890} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 105 and name HN )) 4.000 2.000 2.000 peak 4890 weight 0.10000E+01 volume 0.16552E-02 ppm1 8.256 ppm2 1.656 CV 1 OR { 4890} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 105 and name HN )) OR { 4890} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 105 and name HN )) ASSI { 4892} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 105 and name HN )) 4.200 2.200 1.800 peak 4892 weight 0.10000E+01 volume 0.98250E-03 ppm1 8.255 ppm2 0.644 CV 1 OR { 4892} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 105 and name HN )) OR { 4892} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 105 and name HN )) ASSI { 4902} (( segid " " and resid 100 and name HA )) (( segid " " and resid 105 and name HN )) 3.800 1.800 1.800 peak 4902 weight 0.10000E+01 volume 0.14196E-02 ppm1 8.256 ppm2 3.507 CV 1 OR { 4902} (( segid " " and resid 102 and name HA )) (( segid " " and resid 105 and name HN )) ASSI { 4960} (( segid " " and resid 61 and name HN )) (( segid " " and resid 56 and name HE22)) 4.600 2.600 1.400 peak 4960 weight 0.10000E+01 volume 0.62364E-03 ppm1 7.277 ppm2 8.569 CV 1 OR { 4960} (( segid " " and resid 127 and name HN )) (( segid " " and resid 111 and name HE21)) ASSI { 4962} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HE22)) 3.900 1.900 1.900 peak 4962 weight 0.10000E+01 volume 0.13067E-02 ppm1 7.274 ppm2 7.772 CV 1 OR { 4962} (( segid " " and resid 109 and name HD22)) (( segid " " and resid 111 and name HE21)) ASSI { 4973} (( segid " " and resid 110 and name HD1 )) (( segid " " and resid 111 and name HE21)) 5.200 3.400 0.800 peak 4973 weight 0.10000E+01 volume 0.26072E-03 ppm1 7.275 ppm2 3.721 CV 1 OR { 4973} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 56 and name HE22)) ASSI { 4975} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HE22)) 5.200 3.400 0.800 peak 4975 weight 0.10000E+01 volume 0.43906E-03 ppm1 7.276 ppm2 2.017 CV 1 OR { 4975} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 56 and name HE22)) ASSI { 4976} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 111 and name HE21)) 4.600 2.700 1.400 peak 4976 weight 0.10000E+01 volume 0.38723E-03 ppm1 7.274 ppm2 0.988 CV 1 OR { 4976} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 111 and name HE21)) OR { 4976} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HE22)) ASSI { 4999} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HE21)) 3.600 1.600 1.600 peak 4999 weight 0.10000E+01 volume 0.10512E-02 ppm1 6.596 ppm2 2.317 CV 1 OR { 4999} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 56 and name HE21)) OR { 4999} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 56 and name HE21)) ASSI { 5001} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HE21)) 5.900 4.400 0.100 peak 5001 weight 0.10000E+01 volume 0.28122E-03 ppm1 6.597 ppm2 2.042 CV 1 OR { 5001} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 56 and name HE21)) OR { 5001} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 56 and name HE21)) ASSI { 5004} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 56 and name HE21)) 5.800 4.300 0.200 peak 5004 weight 0.10000E+01 volume 0.29569E-03 ppm1 6.591 ppm2 0.979 CV 1 OR { 5004} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HE21)) ASSI { 5074} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 56 and name HE22)) 2.500 0.800 0.800 peak 5074 weight 0.10000E+01 volume 0.22137E-02 ppm1 7.271 ppm2 2.349 CV 1 OR { 5074} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HE22)) OR { 5074} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 56 and name HE22)) ASSI { 5085} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 111 and name HE22)) 4.800 2.900 1.200 peak 5085 weight 0.10000E+01 volume 0.25389E-03 ppm1 6.808 ppm2 1.013 CV 1 OR { 5085} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 111 and name HE22)) ASSI { 5159} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 111 and name HE21)) 4.400 2.400 1.600 peak 5159 weight 0.10000E+01 volume 0.59380E-03 ppm1 7.266 ppm2 0.724 CV 1 OR { 5159} ( segid " " and resid 107 and name HD2%) (( segid " " and resid 111 and name HE21)) ASSI { 5160} ( segid " " and resid 55 and name HD1%) (( segid " " and resid 56 and name HE22)) 4.400 2.400 1.600 peak 5160 weight 0.10000E+01 volume 0.59137E-03 ppm1 7.267 ppm2 0.570 CV 1 OR { 5160} ( segid " " and resid 107 and name HD1%) (( segid " " and resid 111 and name HE21)) OR { 5160} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 56 and name HE22)) ASSI { 5176} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 111 and name HE22)) 3.000 1.100 1.100 peak 5176 weight 0.10000E+01 volume 0.22169E-02 ppm1 6.806 ppm2 4.720 CV 1 OR { 5176} (( segid " " and resid 79 and name HA )) (( segid " " and resid 97 and name HE22)) ASSI { 5178} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HE22)) 5.200 3.300 0.800 peak 5178 weight 0.10000E+01 volume 0.41334E-03 ppm1 6.811 ppm2 1.927 CV 1 OR { 5178} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 97 and name HE22)) ASSI { 5218} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HE21)) 4.800 2.900 1.200 peak 5218 weight 0.10000E+01 volume 0.37656E-03 ppm1 7.516 ppm2 4.203 CV 1 OR { 5218} (( segid " " and resid 93 and name HA )) (( segid " " and resid 97 and name HE21)) ASSI { 5241} (( segid " " and resid 135 and name HA2 )) (( segid " " and resid 136 and name HN )) 2.300 0.700 0.700 peak 5241 weight 0.10000E+01 volume 0.50522E-02 ppm1 7.850 ppm2 4.897 CV 1 OR { 5241} (( segid " " and resid 39 and name HA )) (( segid " " and resid 136 and name HN )) ASSI { 5242} (( segid " " and resid 124 and name HA )) (( segid " " and resid 136 and name HN )) 4.200 2.200 1.800 peak 5242 weight 0.10000E+01 volume 0.90249E-03 ppm1 7.849 ppm2 4.705 CV 1 OR { 5242} (( segid " " and resid 123 and name HA )) (( segid " " and resid 136 and name HN )) OR { 5242} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 136 and name HN )) ASSI { 5245} (( segid " " and resid 136 and name HB )) (( segid " " and resid 136 and name HN )) 4.300 2.300 1.700 peak 5245 weight 0.10000E+01 volume 0.56724E-03 ppm1 7.849 ppm2 1.899 CV 1 OR { 5245} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 136 and name HN )) ASSI { 5247} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 136 and name HN )) 3.300 1.300 1.300 peak 5247 weight 0.10000E+01 volume 0.14952E-02 ppm1 7.849 ppm2 1.446 CV 1 OR { 5247} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 136 and name HN )) OR { 5247} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 136 and name HN )) ASSI { 5254} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HE21)) 4.100 2.100 1.900 peak 5254 weight 0.10000E+01 volume 0.10787E-02 ppm1 7.521 ppm2 3.914 CV 1 OR { 5254} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 97 and name HE21)) ASSI { 5262} (( segid " " and resid 81 and name HD2 )) (( segid " " and resid 97 and name HE22)) 3.900 1.900 1.900 peak 5262 weight 0.10000E+01 volume 0.87643E-03 ppm1 6.839 ppm2 3.909 CV 1 OR { 5262} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HE22)) ASSI { 5332} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 57 and name HE21)) 4.800 2.800 1.200 peak 5332 weight 0.10000E+01 volume 0.30925E-03 ppm1 6.535 ppm2 3.889 CV 1 OR { 5332} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 57 and name HE21)) OR { 5332} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HE21)) ASSI { 5333} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HE21)) 4.900 3.000 1.100 peak 5333 weight 0.10000E+01 volume 0.50617E-03 ppm1 6.534 ppm2 3.607 CV 1 OR { 5333} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 57 and name HE21)) ASSI { 5337} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HE21)) 5.700 4.100 0.300 peak 5337 weight 0.10000E+01 volume 0.30196E-03 ppm1 6.535 ppm2 1.904 CV 1 OR { 5337} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 57 and name HE21)) ASSI { 5339} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HE21)) 2.900 1.100 1.100 peak 5339 weight 0.10000E+01 volume 0.14339E-02 ppm1 6.533 ppm2 0.957 CV 1 OR { 5339} ( segid " " and resid 53 and name HD1%) (( segid " " and resid 57 and name HE21)) ASSI { 5417} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HD21)) 3.400 1.500 1.500 peak 5417 weight 0.10000E+01 volume 0.97704E-03 ppm1 7.981 ppm2 2.076 CV 1 OR { 5417} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 132 and name HD21)) ASSI { 5418} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 132 and name HD21)) 5.100 3.300 0.900 peak 5418 weight 0.10000E+01 volume 0.30866E-03 ppm1 7.979 ppm2 0.825 CV 1 OR { 5418} (( segid " " and resid 125 and name HG11)) (( segid " " and resid 132 and name HD21)) OR { 5418} (( segid " " and resid 125 and name HG12)) (( segid " " and resid 132 and name HD21)) ASSI { 5420} (( segid " " and resid 44 and name HN )) (( segid " " and resid 132 and name HD22)) 4.800 2.900 1.200 peak 5420 weight 0.10000E+01 volume 0.27736E-03 ppm1 6.992 ppm2 8.916 CV 1 OR { 5420} (( segid " " and resid 42 and name HN )) (( segid " " and resid 132 and name HD22)) ASSI { 5429} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HD22)) 4.300 2.300 1.700 peak 5429 weight 0.10000E+01 volume 0.97543E-03 ppm1 6.991 ppm2 2.087 CV 1 OR { 5429} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 132 and name HD22)) ASSI { 5481} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 24 and name HN )) 4.100 2.100 1.900 peak 5481 weight 0.10000E+01 volume 0.11615E-02 ppm1 7.540 ppm2 2.918 CV 1 OR { 5481} (( segid " " and resid 104 and name HE1 )) (( segid " " and resid 24 and name HN )) OR { 5481} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 5484} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 24 and name HN )) 4.600 2.600 1.400 peak 5484 weight 0.10000E+01 volume 0.47945E-03 ppm1 7.542 ppm2 1.916 CV 1 OR { 5484} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 5485} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 24 and name HN )) 3.100 1.200 1.200 peak 5485 weight 0.10000E+01 volume 0.30129E-02 ppm1 7.540 ppm2 1.340 CV 1 OR { 5485} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 24 and name HN )) ASSI { 5487} ( segid " " and resid 20 and name HD2%) (( segid " " and resid 24 and name HN )) 3.700 1.700 1.700 peak 5487 weight 0.10000E+01 volume 0.14489E-02 ppm1 7.540 ppm2 0.494 CV 1 OR { 5487} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 24 and name HN )) ASSI { 5488} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 24 and name HN )) 4.100 2.100 1.900 peak 5488 weight 0.10000E+01 volume 0.85483E-03 ppm1 7.540 ppm2 0.291 CV 1 OR { 5488} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 24 and name HN )) ASSI { 5499} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 24 and name HN )) 5.500 3.800 0.500 peak 5499 weight 0.10000E+01 volume 0.32238E-03 ppm1 7.548 ppm2 1.705 CV 1 OR { 5499} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 24 and name HN )) OR { 5499} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 5500} (( segid " " and resid 20 and name HG )) (( segid " " and resid 24 and name HN )) 5.100 3.200 0.900 peak 5500 weight 0.10000E+01 volume 0.33553E-03 ppm1 7.547 ppm2 0.959 CV 1 OR { 5500} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 5529} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 116 and name HN )) 3.900 1.900 1.900 peak 5529 weight 0.10000E+01 volume 0.13918E-02 ppm1 8.626 ppm2 1.441 CV 1 OR { 5529} (( segid " " and resid 120 and name HG )) (( segid " " and resid 116 and name HN )) ASSI { 5533} (( segid " " and resid 66 and name HN )) (( segid " " and resid 116 and name HN )) 4.200 2.200 1.800 peak 5533 weight 0.10000E+01 volume 0.84669E-03 ppm1 8.625 ppm2 8.042 CV 1 OR { 5533} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) ASSI { 5534} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 116 and name HN )) 3.000 1.100 1.100 peak 5534 weight 0.10000E+01 volume 0.30884E-02 ppm1 8.625 ppm2 4.891 CV 1 OR { 5534} (( segid " " and resid 120 and name HA )) (( segid " " and resid 116 and name HN )) ASSI { 5558} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HN )) 4.500 2.500 1.500 peak 5558 weight 0.10000E+01 volume 0.29650E-03 ppm1 8.577 ppm2 7.342 CV 1 OR { 5558} (( segid " " and resid 54 and name HN )) (( segid " " and resid 61 and name HN )) ASSI { 5563} (( segid " " and resid 61 and name HA1 )) (( segid " " and resid 61 and name HN )) 2.400 0.700 0.700 peak 5563 weight 0.10000E+01 volume 0.46599E-02 ppm1 8.576 ppm2 3.900 CV 1 OR { 5563} (( segid " " and resid 56 and name HA )) (( segid " " and resid 61 and name HN )) ASSI { 5571} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 3.600 1.600 1.600 peak 5571 weight 0.10000E+01 volume 0.81567E-03 ppm1 8.577 ppm2 7.624 CV 1 OR { 5571} (( segid " " and resid 59 and name HN )) (( segid " " and resid 61 and name HN )) ASSI { 5599} (( segid " " and resid 131 and name HA1 )) (( segid " " and resid 131 and name HN )) 2.800 1.000 1.000 peak 5599 weight 0.10000E+01 volume 0.63647E-02 ppm1 8.402 ppm2 4.289 CV 1 OR { 5599} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) ASSI { 5603} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 131 and name HN )) 4.700 2.700 1.300 peak 5603 weight 0.10000E+01 volume 0.74847E-03 ppm1 8.403 ppm2 2.099 CV 1 OR { 5603} (( segid " " and resid 129 and name HG1 )) (( segid " " and resid 131 and name HN )) ASSI { 5616} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 5616 weight 0.10000E+01 volume 0.46960E-02 ppm1 7.286 ppm2 7.629 CV 1 OR { 5616} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HN )) ASSI { 144} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.200 3.200 2.800 peak 144 weight 0.10000E+01 volume 0.43456E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 144} (( segid " " and resid 25 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 218} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HA )) 3.800 1.800 1.800 peak 218 weight 0.10000E+01 volume 0.13395E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 218} (( segid " " and resid 120 and name HN )) (( segid " " and resid 114 and name HA )) ASSI { 376} (( segid " " and resid 21 and name HN )) ( segid " " and resid 39 and name HG2%) 3.300 1.400 1.400 peak 376 weight 0.10000E+01 volume 0.32432E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 376} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG )) ASSI { 480} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.400 0.700 0.700 peak 480 weight 0.10000E+01 volume 0.90866E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 480} (( segid " " and resid 121 and name HN )) (( segid " " and resid 114 and name HA )) ASSI { 497} (( segid " " and resid 122 and name HN )) (( segid " " and resid 137 and name HA )) 4.600 2.700 1.400 peak 497 weight 0.10000E+01 volume 0.55375E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 497} (( segid " " and resid 40 and name HN )) (( segid " " and resid 137 and name HA )) ASSI { 515} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.600 0.800 0.800 peak 515 weight 0.10000E+01 volume 0.69623E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 515} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 515} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 533} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HB1 )) 5.500 3.700 0.500 peak 533 weight 0.10000E+01 volume 0.37669E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 533} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 785} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG12)) 2.700 0.900 0.900 peak 785 weight 0.10000E+01 volume 0.37078E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 785} (( segid " " and resid 99 and name HN )) (( segid " " and resid 103 and name HG12)) ASSI { 1155} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.400 0.700 0.700 peak 1155 weight 0.10000E+01 volume 0.68133E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1155} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HA )) ASSI { 1177} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HB )) 4.200 2.200 1.800 peak 1177 weight 0.10000E+01 volume 0.56166E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1177} (( segid " " and resid 90 and name HN )) (( segid " " and resid 93 and name HB )) ASSI { 1187} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 2.300 2.300 3.700 peak 1187 weight 0.10000E+01 volume 0.14901E-01 ppm1 0.632 ppm2 0.627 CV 1 OR { 1187} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 1193} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) 2.000 0.500 0.500 peak 1193 weight 0.10000E+01 volume 0.18105E-01 ppm1 0.632 ppm2 0.627 CV 1 OR { 1193} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) OR { 1193} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 1195} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HG1 )) 4.600 2.700 1.400 peak 1195 weight 0.10000E+01 volume 0.43138E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1195} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG1 )) OR { 1195} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG2 )) OR { 1195} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 1200} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG2 )) 2.600 0.800 0.800 peak 1200 weight 0.10000E+01 volume 0.13267E-01 ppm1 0.632 ppm2 0.627 CV 1 OR { 1200} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG1 )) OR { 1200} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG2 )) OR { 1200} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG1 )) ASSI { 1202} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HB2 )) 4.200 2.200 1.800 peak 1202 weight 0.10000E+01 volume 0.68899E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1202} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 1276} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 1276 weight 0.10000E+01 volume 0.60847E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1276} (( segid " " and resid 60 and name HN )) (( segid " " and resid 56 and name HA )) ASSI { 1286} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.900 1.100 1.100 peak 1286 weight 0.10000E+01 volume 0.19687E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1286} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) ASSI { 1288} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.800 1.000 1.000 peak 1288 weight 0.10000E+01 volume 0.15442E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1288} (( segid " " and resid 60 and name HN )) (( segid " " and resid 55 and name HB2 )) ASSI { 1441} (( segid " " and resid 106 and name HN )) (( segid " " and resid 101 and name HA )) 4.300 2.300 1.700 peak 1441 weight 0.10000E+01 volume 0.57811E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1441} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HA )) ASSI { 1447} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.700 0.900 0.900 peak 1447 weight 0.10000E+01 volume 0.41326E-02 ppm1 0.632 ppm2 0.627 CV 1 OR { 1447} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 1687} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 11 and name HE2 )) 3.100 1.200 1.200 peak 1687 weight 0.10000E+01 volume 0.39466E-03 ppm1 0.632 ppm2 0.627 CV 1 OR { 1687} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 11 and name HE1 )) OR { 1687} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 21 and name HE1 )) OR { 1687} (( segid " " and resid 19 and name HE21)) (( segid " " and resid 37 and name HB2 )) set message=on echo=on end
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