NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
524456 | 2l4z | 17265 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 38} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HZ3 )) 6.000 4.700 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.061 ppm2 6.939 CV 1 OR { 38} (( segid " " and resid 22 and name HD3 )) (( segid " " and resid 20 and name HZ3 )) OR { 38} (( segid " " and resid 49 and name HE2 )) (( segid " " and resid 43 and name HZ3 )) ASSI { 210} (( segid " " and resid 77 and name HD% )) (( segid " " and resid 82 and name HN )) 6.000 4.700 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.486 ppm2 7.789 CV 1 OR { 210} (( segid " " and resid 65 and name HD% )) (( segid " " and resid 666 and name HN )) ASSI { 989} (( segid " " and resid 69 and name HA2 )) (( segid " " and resid 39 and name HE% )) 3.100 1.400 1.400 peak 989 spectrum 1 weight 0.10000E+01 volume 0.18360E-02 ppm1 3.611 ppm2 1.581 CV 1 OR { 989} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 39 and name HE% )) OR { 989} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 74 and name HG2 )) OR { 989} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 48 and name HB2 )) ASSI { 998} (( segid " " and resid 680 and name HE22)) (( segid " " and resid 680 and name HN )) 4.200 2.400 1.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.28616E-03 ppm1 6.827 ppm2 8.396 CV 1 OR { 998} (( segid " " and resid 666 and name HE% )) (( segid " " and resid 663 and name HN )) OR { 998} (( segid " " and resid 680 and name HE22)) (( segid " " and resid 679 and name HN )) OR { 998} (( segid " " and resid 666 and name HE% )) (( segid " " and resid 662 and name HN )) ASSI { 999} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 22 and name HN )) 2.700 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.39146E-02 ppm1 1.274 ppm2 8.375 CV 1 OR { 999} (( segid " " and resid 22 and name HG3 )) (( segid " " and resid 22 and name HN )) ASSI { 1001} (( segid " " and resid 648 and name HG2%)) (( segid " " and resid 649 and name HN )) 2.800 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.30218E-02 ppm1 0.859 ppm2 8.365 CV 1 OR { 1001} (( segid " " and resid 648 and name HG1%)) (( segid " " and resid 649 and name HN )) OR { 1001} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HN )) ASSI { 1002} (( segid " " and resid 649 and name HA )) (( segid " " and resid 650 and name HN )) 6.000 4.700 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.411 ppm2 8.302 CV 1 OR { 1002} (( segid " " and resid 681 and name HA )) (( segid " " and resid 681 and name HN )) ASSI { 1003} (( segid " " and resid 651 and name HB2 )) (( segid " " and resid 651 and name HN )) 4.200 2.400 1.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.27242E-03 ppm1 2.087 ppm2 8.321 CV 1 OR { 1003} (( segid " " and resid 651 and name HB2 )) (( segid " " and resid 652 and name HN )) ASSI { 1004} (( segid " " and resid 650 and name HD% )) (( segid " " and resid 653 and name HN )) 4.400 2.600 1.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.20740E-03 ppm1 7.235 ppm2 7.968 CV 1 OR { 1004} (( segid " " and resid 655 and name HD1 )) (( segid " " and resid 653 and name HN )) OR { 1004} (( segid " " and resid 54 and name HE21)) (( segid " " and resid 54 and name HN )) ASSI { 1009} (( segid " " and resid 650 and name HA )) (( segid " " and resid 650 and name HD% )) 2.500 1.000 1.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.58605E-02 ppm1 4.574 ppm2 7.229 CV 1 OR { 1009} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HD% )) ASSI { 1010} (( segid " " and resid 21 and name HA )) (( segid " " and resid 42 and name HD% )) 3.400 1.600 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 4.182 ppm2 7.229 CV 1 OR { 1010} (( segid " " and resid 651 and name HA )) (( segid " " and resid 650 and name HD% )) OR { 1010} (( segid " " and resid 664 and name HA )) (( segid " " and resid 666 and name HD% )) OR { 1010} (( segid " " and resid 66 and name HB )) (( segid " " and resid 666 and name HD% )) ASSI { 1016} (( segid " " and resid 653 and name HG2%)) (( segid " " and resid 652 and name HD22)) 4.300 2.500 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.25182E-03 ppm1 0.624 ppm2 7.577 CV 1 OR { 1016} (( segid " " and resid 653 and name HG2%)) (( segid " " and resid 655 and name HE3 )) ASSI { 1022} (( segid " " and resid 65 and name HD% )) (( segid " " and resid 666 and name HD% )) 3.400 1.600 1.600 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 6.486 ppm2 7.255 CV 1 OR { 1022} (( segid " " and resid 77 and name HD% )) (( segid " " and resid 666 and name HD% )) ASSI { 1026} (( segid " " and resid 663 and name HB2 )) (( segid " " and resid 666 and name HD% )) 2.800 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 1.615 ppm2 7.255 CV 1 OR { 1026} (( segid " " and resid 665 and name HB3 )) (( segid " " and resid 666 and name HD% )) OR { 1026} (( segid " " and resid 46 and name HG3 )) (( segid " " and resid 44 and name HE1 )) ASSI { 1029} (( segid " " and resid 25 and name HA1 )) (( segid " " and resid 43 and name HH2 )) 3.400 1.700 1.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.96836E-03 ppm1 4.311 ppm2 7.194 CV 1 OR { 1029} (( segid " " and resid 663 and name HA )) (( segid " " and resid 667 and name HN )) OR { 1029} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HD1 )) OR { 1029} (( segid " " and resid 668 and name HA )) (( segid " " and resid 667 and name HN )) ASSI { 1032} (( segid " " and resid 31 and name HB% )) (( segid " " and resid 20 and name HH2 )) 6.000 4.700 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.274 ppm2 7.192 CV 1 OR { 1032} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 20 and name HH2 )) ASSI { 1035} (( segid " " and resid 670 and name HG2%)) (( segid " " and resid 669 and name HN )) 3.600 1.800 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.68219E-03 ppm1 0.647 ppm2 8.509 CV 1 OR { 1035} (( segid " " and resid 663 and name HD1%)) (( segid " " and resid 75 and name HN )) ASSI { 1038} (( segid " " and resid 673 and name HD1%)) (( segid " " and resid 672 and name HN )) 3.300 1.600 1.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 0.845 ppm2 8.965 CV 1 OR { 1038} (( segid " " and resid 673 and name HD1%)) (( segid " " and resid 671 and name HN )) OR { 1038} (( segid " " and resid 78 and name HD1%)) (( segid " " and resid 77 and name HN )) OR { 1038} (( segid " " and resid 36 and name HD2%)) (( segid " " and resid 672 and name HN )) OR { 1038} (( segid " " and resid 36 and name HD2%)) (( segid " " and resid 671 and name HN )) ASSI { 1040} (( segid " " and resid 65 and name HE% )) (( segid " " and resid 663 and name HN )) 3.500 1.800 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 6.431 ppm2 8.376 CV 1 OR { 1040} (( segid " " and resid 65 and name HE% )) (( segid " " and resid 64 and name HN )) ASSI { 1041} (( segid " " and resid 65 and name HD% )) (( segid " " and resid 64 and name HN )) 3.500 1.700 1.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.91571E-03 ppm1 6.488 ppm2 8.376 CV 1 OR { 1041} (( segid " " and resid 65 and name HD% )) (( segid " " and resid 663 and name HN )) ASSI { 1051} (( segid " " and resid 23 and name HN )) (( segid " " and resid 28 and name HN )) 3.200 1.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.13895E-02 ppm1 8.606 ppm2 9.138 CV 1 OR { 1051} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HN )) ASSI { 1052} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.900 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.25868E-02 ppm1 3.351 ppm2 9.138 CV 1 OR { 1052} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 28 and name HN )) ASSI { 1053} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.600 1.900 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.67532E-03 ppm1 2.264 ppm2 9.138 CV 1 OR { 1053} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 43 and name HN )) ASSI { 1054} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 30 and name HN )) 5.000 3.300 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.10324E-03 ppm1 0.762 ppm2 8.606 CV 1 OR { 1054} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 23 and name HN )) OR { 1054} (( segid " " and resid 18 and name HD2%)) (( segid " " and resid 30 and name HN )) ASSI { 1055} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 49 and name HN )) 3.400 1.600 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 0.436 ppm2 7.454 CV 1 OR { 1055} (( segid " " and resid 57 and name HD2%)) (( segid " " and resid 49 and name HN )) ASSI { 1058} (( segid " " and resid 71 and name HG2%)) (( segid " " and resid 50 and name HN )) 4.800 3.100 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.12522E-03 ppm1 0.590 ppm2 8.667 CV 1 OR { 1058} (( segid " " and resid 71 and name HG2%)) (( segid " " and resid 668 and name HN )) ASSI { 1060} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 51 and name HN )) 3.700 1.900 1.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.61123E-03 ppm1 1.913 ppm2 10.074 CV 1 OR { 1060} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 51 and name HN )) ASSI { 1061} (( segid " " and resid 71 and name HB )) (( segid " " and resid 51 and name HN )) 3.400 1.600 1.600 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 1.694 ppm2 10.074 CV 1 OR { 1061} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 51 and name HN )) ASSI { 1072} (( segid " " and resid 675 and name HN )) (( segid " " and resid 35 and name HN )) 4.300 2.500 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.24953E-03 ppm1 8.682 ppm2 9.096 CV 1 OR { 1072} (( segid " " and resid 674 and name HN )) (( segid " " and resid 35 and name HN )) ASSI { 1074} (( segid " " and resid 672 and name HA )) (( segid " " and resid 35 and name HN )) 3.900 2.100 2.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.42580E-03 ppm1 4.548 ppm2 9.096 CV 1 OR { 1074} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HN )) OR { 1074} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 1075} (( segid " " and resid 675 and name HG2%)) (( segid " " and resid 35 and name HN )) 3.200 1.500 1.500 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 1.226 ppm2 9.095 CV 1 OR { 1075} (( segid " " and resid 673 and name HG13)) (( segid " " and resid 35 and name HN )) ASSI { 1076} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 69 and name HN )) 4.100 2.300 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.34110E-03 ppm1 0.667 ppm2 8.785 CV 1 OR { 1076} (( segid " " and resid 670 and name HG2%)) (( segid " " and resid 36 and name HN )) OR { 1076} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 69 and name HN )) OR { 1076} (( segid " " and resid 57 and name HD1%)) (( segid " " and resid 63 and name HN )) ASSI { 1082} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HE% )) 3.500 1.700 1.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.90658E-03 ppm1 4.567 ppm2 6.705 CV 1 OR { 1082} (( segid " " and resid 41 and name HA )) (( segid " " and resid 37 and name HD% )) OR { 1082} (( segid " " and resid 672 and name HA )) (( segid " " and resid 37 and name HD% )) ASSI { 1084} (( segid " " and resid 671 and name HG2%)) (( segid " " and resid 37 and name HD% )) 2.900 1.300 1.300 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.25182E-02 ppm1 1.262 ppm2 6.705 CV 1 OR { 1084} (( segid " " and resid 673 and name HG13)) (( segid " " and resid 37 and name HD% )) ASSI { 1086} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 42 and name HE% )) 2.700 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.42351E-02 ppm1 0.944 ppm2 6.705 CV 1 OR { 1086} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 42 and name HE% )) OR { 1086} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 42 and name HE% )) ASSI { 1087} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 37 and name HE% )) 3.700 1.900 1.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.60436E-03 ppm1 0.943 ppm2 6.398 CV 1 OR { 1087} (( segid " " and resid 672 and name HG2%)) (( segid " " and resid 37 and name HE% )) OR { 1087} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 37 and name HE% )) ASSI { 1089} (( segid " " and resid 30 and name HD1%)) (( segid " " and resid 42 and name HE% )) 4.300 2.600 1.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.23350E-03 ppm1 0.424 ppm2 6.704 CV 1 OR { 1089} (( segid " " and resid 30 and name HD1%)) (( segid " " and resid 37 and name HD% )) OR { 1089} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 37 and name HD% )) ASSI { 1098} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 41 and name HN )) 3.700 1.900 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.57460E-03 ppm1 2.394 ppm2 9.561 CV 1 OR { 1098} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 43 and name HE1 )) ASSI { 1099} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 41 and name HN )) 4.100 2.300 1.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.31134E-03 ppm1 2.491 ppm2 9.561 CV 1 OR { 1099} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 41 and name HN )) OR { 1099} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 43 and name HE1 )) OR { 1099} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 43 and name HE1 )) ASSI { 1100} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 41 and name HN )) 3.800 2.000 2.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.55858E-03 ppm1 2.123 ppm2 9.562 CV 1 OR { 1100} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 43 and name HE1 )) ASSI { 1102} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 42 and name HD% )) 4.000 2.200 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.36857E-03 ppm1 2.872 ppm2 7.232 CV 1 OR { 1102} (( segid " " and resid 662 and name HB2 )) (( segid " " and resid 666 and name HD% )) OR { 1102} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HE )) OR { 1102} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 74 and name HE )) OR { 1102} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 666 and name HD% )) ASSI { 1103} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 42 and name HD% )) 2.500 1.000 1.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.69136E-02 ppm1 0.945 ppm2 7.232 CV 1 OR { 1103} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 42 and name HD% )) OR { 1103} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 42 and name HD% )) ASSI { 1105} (( segid " " and resid 653 and name HG2%)) (( segid " " and resid 655 and name HD1 )) 6.000 4.700 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.634 ppm2 7.232 CV 1 OR { 1105} (( segid " " and resid 663 and name HD1%)) (( segid " " and resid 666 and name HD% )) ASSI { 1106} (( segid " " and resid 654 and name HA )) (( segid " " and resid 655 and name HD1 )) 4.100 2.300 1.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.32507E-03 ppm1 4.249 ppm2 7.232 CV 1 OR { 1106} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 22 and name HE )) OR { 1106} (( segid " " and resid 654 and name HA )) (( segid " " and resid 650 and name HD% )) ASSI { 1109} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 54 and name HE22)) 6.000 4.700 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.128 ppm2 6.705 CV 1 OR { 1109} (( segid " " and resid 46 and name HD3 )) (( segid " " and resid 54 and name HE22)) OR { 1109} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 42 and name HE% )) ASSI { 1117} (( segid " " and resid 47 and name HA )) (( segid " " and resid 44 and name HN )) 6.000 4.700 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.431 ppm2 9.263 CV 1 OR { 1117} (( segid " " and resid 23 and name HA )) (( segid " " and resid 44 and name HN )) ASSI { 1123} (( segid " " and resid 36 and name HD1%)) (( segid " " and resid 45 and name HN )) 3.200 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.13438E-02 ppm1 0.892 ppm2 10.031 CV 1 OR { 1123} (( segid " " and resid 30 and name HG2%)) (( segid " " and resid 45 and name HN )) ASSI { 1125} (( segid " " and resid 36 and name HD1%)) (( segid " " and resid 48 and name HN )) 3.400 1.600 1.600 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 0.887 ppm2 7.030 CV 1 OR { 1125} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 81 and name HZ )) OR { 1125} (( segid " " and resid 36 and name HD2%)) (( segid " " and resid 48 and name HN )) ASSI { 1126} (( segid " " and resid 67 and name HB3 )) (( segid " " and resid 81 and name HZ )) 6.000 4.700 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.043 ppm2 7.033 CV 1 OR { 1126} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 48 and name HN )) ASSI { 1139} (( segid " " and resid 48 and name HD2%)) (( segid " " and resid 48 and name HN )) 2.900 1.200 1.200 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.27013E-02 ppm1 -0.815 ppm2 7.059 CV 1 OR { 1139} (( segid " " and resid 48 and name HD2%)) (( segid " " and resid 43 and name HZ2 )) ASSI { 1141} (( segid " " and resid 80 and name HD2%)) (( segid " " and resid 81 and name HE% )) 6.000 4.700 0.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.581 ppm2 7.060 CV 1 OR { 1141} (( segid " " and resid 48 and name HG )) (( segid " " and resid 48 and name HN )) ASSI { 1146} (( segid " " and resid 42 and name HD% )) (( segid " " and resid 22 and name HN )) 6.000 4.700 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.234 ppm2 8.373 CV 1 OR { 1146} (( segid " " and resid 650 and name HD% )) (( segid " " and resid 649 and name HN )) OR { 1146} (( segid " " and resid 666 and name HD% )) (( segid " " and resid 663 and name HN )) ASSI { 1148} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) 4.500 2.700 1.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.19252E-03 ppm1 4.160 ppm2 9.245 CV 1 OR { 1148} (( segid " " and resid 69 and name HA1 )) (( segid " " and resid 68 and name HN )) ASSI { 1152} (( segid " " and resid 77 and name HD% )) (( segid " " and resid 72 and name HN )) 3.700 1.900 1.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.65701E-03 ppm1 6.478 ppm2 9.479 CV 1 OR { 1152} (( segid " " and resid 65 and name HD% )) (( segid " " and resid 72 and name HN )) ASSI { 1162} (( segid " " and resid 18 and name HD1%)) (( segid " " and resid 910 and name HN )) 4.300 2.500 1.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.25411E-03 ppm1 0.803 ppm2 8.517 CV 1 OR { 1162} (( segid " " and resid 683 and name HD1%)) (( segid " " and resid 678 and name HN )) OR { 1162} (( segid " " and resid 683 and name HD2%)) (( segid " " and resid 678 and name HN )) OR { 1162} (( segid " " and resid 673 and name HG2%)) (( segid " " and resid 33 and name HN )) OR { 1162} (( segid " " and resid 673 and name HG2%)) (( segid " " and resid 678 and name HN )) OR { 1162} (( segid " " and resid 673 and name HD1%)) (( segid " " and resid 33 and name HN )) ASSI { 1166} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 73 and name HN )) 6.000 4.700 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.691 ppm2 8.960 CV 1 OR { 1166} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 77 and name HN )) ASSI { 1167} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HN )) 6.000 4.700 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.353 ppm2 8.961 CV 1 OR { 1167} (( segid " " and resid 673 and name HA )) (( segid " " and resid 672 and name HN )) OR { 1167} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 1168} (( segid " " and resid 72 and name HG )) (( segid " " and resid 73 and name HN )) 6.000 4.700 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.570 ppm2 8.988 CV 1 OR { 1168} (( segid " " and resid 57 and name HG )) (( segid " " and resid 73 and name HN )) ASSI { 1169} (( segid " " and resid 67 and name HA )) (( segid " " and resid 77 and name HE% )) 3.400 1.600 1.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.10072E-02 ppm1 4.331 ppm2 6.198 CV 1 OR { 1169} (( segid " " and resid 663 and name HA )) (( segid " " and resid 77 and name HE% )) ASSI { 1170} (( segid " " and resid 67 and name HA )) (( segid " " and resid 77 and name HD% )) 6.000 4.700 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 6.466 CV 1 OR { 1170} (( segid " " and resid 663 and name HA )) (( segid " " and resid 77 and name HD% )) OR { 1170} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HD% )) ASSI { 1180} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 77 and name HD% )) 6.000 4.700 0.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.902 ppm2 6.466 CV 1 OR { 1180} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 77 and name HD% )) ASSI { 1184} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 77 and name HE% )) 3.500 1.800 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.81497E-03 ppm1 1.754 ppm2 6.199 CV 1 OR { 1184} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 77 and name HE% )) ASSI { 1187} (( segid " " and resid 72 and name HD2%)) (( segid " " and resid 77 and name HE% )) 3.100 1.400 1.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 1.113 ppm2 6.199 CV 1 OR { 1187} (( segid " " and resid 66 and name HG2%)) (( segid " " and resid 77 and name HE% )) ASSI { 1199} (( segid " " and resid 665 and name HE22)) (( segid " " and resid 665 and name HN )) 3.900 2.100 2.100 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.44640E-03 ppm1 6.834 ppm2 8.280 CV 1 OR { 1199} (( segid " " and resid 666 and name HE% )) (( segid " " and resid 665 and name HN )) OR { 1199} (( segid " " and resid 81 and name HD% )) (( segid " " and resid 78 and name HN )) ASSI { 1200} (( segid " " and resid 663 and name HD1%)) (( segid " " and resid 78 and name HN )) 4.300 2.500 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.24495E-03 ppm1 0.636 ppm2 8.279 CV 1 OR { 1200} (( segid " " and resid 663 and name HD1%)) (( segid " " and resid 665 and name HN )) OR { 1200} (( segid " " and resid 80 and name HD1%)) (( segid " " and resid 78 and name HN )) OR { 1200} (( segid " " and resid 670 and name HG2%)) (( segid " " and resid 60 and name HN )) ASSI { 1201} (( segid " " and resid 666 and name HA )) (( segid " " and resid 666 and name HN )) 6.000 4.700 0.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.751 ppm2 7.816 CV 1 OR { 1201} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HN )) ASSI { 1202} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 79 and name HN )) 3.800 2.000 2.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.51508E-03 ppm1 0.109 ppm2 7.816 CV 1 OR { 1202} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 82 and name HN )) ASSI { 1203} (( segid " " and resid 48 and name HG )) (( segid " " and resid 47 and name HN )) 5.900 4.500 0.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.38002E-04 ppm1 0.560 ppm2 7.816 CV 1 OR { 1203} (( segid " " and resid 80 and name HD2%)) (( segid " " and resid 79 and name HN )) OR { 1203} (( segid " " and resid 80 and name HD2%)) (( segid " " and resid 82 and name HN )) ASSI { 1206} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HN )) 6.000 4.700 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.985 ppm2 8.107 CV 1 OR { 1206} (( segid " " and resid 25 and name HA2 )) (( segid " " and resid 27 and name HN )) ASSI { 1210} (( segid " " and resid 81 and name HD% )) (( segid " " and resid 82 and name HN )) 3.400 1.700 1.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.93633E-03 ppm1 6.849 ppm2 7.809 CV 1 OR { 1210} (( segid " " and resid 666 and name HE% )) (( segid " " and resid 666 and name HN )) ASSI { 1212} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 59 and name HN )) 3.500 1.800 1.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.78979E-03 ppm1 1.532 ppm2 7.717 CV 1 OR { 1212} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 80 and name HN )) ASSI { 1214} (( segid " " and resid 663 and name HA )) (( segid " " and resid 65 and name HE% )) 6.000 4.700 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.340 ppm2 6.427 CV 1 OR { 1214} (( segid " " and resid 75 and name HA )) (( segid " " and resid 65 and name HE% )) ASSI { 1215} (( segid " " and resid 663 and name HA )) (( segid " " and resid 65 and name HD% )) 6.000 4.700 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 6.488 CV 1 OR { 1215} (( segid " " and resid 67 and name HA )) (( segid " " and resid 77 and name HD% )) OR { 1215} (( segid " " and resid 663 and name HA )) (( segid " " and resid 77 and name HD% )) OR { 1215} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HD% )) ASSI { 1246} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 43 and name HD1 )) 6.000 4.700 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.697 ppm2 6.958 CV 1 OR { 1246} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 43 and name HD1 )) ASSI { 1249} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 43 and name HD1 )) 3.900 2.100 2.100 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.43953E-03 ppm1 1.857 ppm2 6.960 CV 1 OR { 1249} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 43 and name HD1 )) ASSI { 1250} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 43 and name HZ3 )) 6.000 4.700 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.593 ppm2 6.959 CV 1 OR { 1250} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 43 and name HD1 )) OR { 1250} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 43 and name HD1 )) ASSI { 1251} (( segid " " and resid 38 and name HB% )) (( segid " " and resid 43 and name HD1 )) 2.900 1.300 1.300 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.26097E-02 ppm1 1.157 ppm2 6.958 CV 1 OR { 1251} (( segid " " and resid 29 and name HD3 )) (( segid " " and resid 20 and name HZ3 )) ASSI { 1252} (( segid " " and resid 30 and name HG2%)) (( segid " " and resid 20 and name HZ3 )) 3.700 1.900 1.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.58833E-03 ppm1 0.894 ppm2 6.958 CV 1 OR { 1252} (( segid " " and resid 36 and name HD1%)) (( segid " " and resid 43 and name HD1 )) ASSI { 1253} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 43 and name HD1 )) 3.800 2.000 2.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.55171E-03 ppm1 0.429 ppm2 6.959 CV 1 OR { 1253} (( segid " " and resid 30 and name HD1%)) (( segid " " and resid 43 and name HD1 )) OR { 1253} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 43 and name HZ3 )) ASSI { 1260} (( segid " " and resid 25 and name HA1 )) (( segid " " and resid 43 and name HZ3 )) 2.600 1.000 1.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.51050E-02 ppm1 4.326 ppm2 6.939 CV 1 OR { 1260} (( segid " " and resid 29 and name HA )) (( segid " " and resid 20 and name HZ3 )) ASSI { 1261} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 42 and name HE% )) 6.000 4.700 0.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.770 ppm2 6.706 CV 1 OR { 1261} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 37 and name HD% )) OR { 1261} (( segid " " and resid 673 and name HG2%)) (( segid " " and resid 37 and name HD% )) ASSI { 1266} (( segid " " and resid 46 and name HD3 )) (( segid " " and resid 44 and name HE1 )) 3.400 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.10348E-02 ppm1 3.116 ppm2 7.285 CV 1 OR { 1266} (( segid " " and resid 674 and name HB2 )) (( segid " " and resid 34 and name HD% )) OR { 1266} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 44 and name HE1 )) ASSI { 1268} (( segid " " and resid 674 and name HB3 )) (( segid " " and resid 34 and name HE% )) 2.500 1.000 1.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.57460E-02 ppm1 2.676 ppm2 7.340 CV 1 OR { 1268} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 34 and name HE% )) ASSI { 1283} (( segid " " and resid 29 and name HA )) (( segid " " and resid 20 and name HE3 )) 3.400 1.600 1.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 4.305 ppm2 7.382 CV 1 OR { 1283} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HE3 )) ASSI { 1284} (( segid " " and resid 21 and name HA )) (( segid " " and resid 20 and name HE3 )) 3.800 2.000 2.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.48532E-03 ppm1 4.185 ppm2 7.382 CV 1 OR { 1284} (( segid " " and resid 664 and name HA )) (( segid " " and resid 665 and name HE21)) ASSI { 1288} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 20 and name HE3 )) 3.000 1.300 1.300 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 1.259 ppm2 7.382 CV 1 OR { 1288} (( segid " " and resid 31 and name HB% )) (( segid " " and resid 20 and name HE3 )) ASSI { 1290} (( segid " " and resid 18 and name HD2%)) (( segid " " and resid 20 and name HE3 )) 4.400 2.600 1.600 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.22893E-03 ppm1 0.756 ppm2 7.381 CV 1 OR { 1290} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 20 and name HE3 )) ASSI { 1297} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 20 and name HE1 )) 6.000 4.700 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.274 ppm2 10.173 CV 1 OR { 1297} (( segid " " and resid 31 and name HB% )) (( segid " " and resid 20 and name HE1 )) OR { 1297} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 20 and name HE1 )) ASSI { 1300} (( segid " " and resid 67 and name HA )) (( segid " " and resid 666 and name HE% )) 3.000 1.300 1.300 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 4.330 ppm2 6.819 CV 1 OR { 1300} (( segid " " and resid 663 and name HA )) (( segid " " and resid 666 and name HE% )) ASSI { 1301} (( segid " " and resid 665 and name HB3 )) (( segid " " and resid 665 and name HE22)) 3.100 1.400 1.400 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.19070E-02 ppm1 1.622 ppm2 6.819 CV 1 OR { 1301} (( segid " " and resid 665 and name HB3 )) (( segid " " and resid 666 and name HE% )) ASSI { 1306} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HE )) 2.900 1.200 1.200 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.28845E-02 ppm1 1.451 ppm2 7.255 CV 1 OR { 1306} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HE )) ASSI { 1307} (( segid " " and resid 663 and name HA )) (( segid " " and resid 666 and name HD% )) 2.700 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.38689E-02 ppm1 4.334 ppm2 7.257 CV 1 OR { 1307} (( segid " " and resid 67 and name HA )) (( segid " " and resid 666 and name HD% )) ASSI { 1309} (( segid " " and resid 18 and name HG )) (( segid " " and resid 20 and name HZ2 )) 3.400 1.600 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 1.516 ppm2 7.457 CV 1 OR { 1309} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 20 and name HZ2 )) OR { 1309} (( segid " " and resid 57 and name HG )) (( segid " " and resid 49 and name HN )) OR { 1309} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 20 and name HZ2 )) ASSI { 1322} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 81 and name HE% )) 4.200 2.400 1.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.29532E-03 ppm1 1.432 ppm2 7.083 CV 1 OR { 1322} (( segid " " and resid 80 and name HG )) (( segid " " and resid 81 and name HE% )) ASSI { 1337} (( segid " " and resid 662 and name HA )) (( segid " " and resid 661 and name HB% )) 3.900 2.100 2.100 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.41206E-03 ppm1 4.657 ppm2 1.415 CV 1 OR { 1337} (( segid " " and resid 81 and name HA )) (( segid " " and resid 80 and name HG )) ASSI { 1338} (( segid " " and resid 658 and name HB2 )) (( segid " " and resid 661 and name HB% )) 3.000 1.300 1.300 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 2.770 ppm2 1.415 CV 1 OR { 1338} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 21 and name HB2 )) ASSI { 1340} (( segid " " and resid 21 and name HA )) (( segid " " and resid 30 and name HD1%)) 3.900 2.100 2.100 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.42580E-03 ppm1 4.178 ppm2 0.420 CV 1 OR { 1340} (( segid " " and resid 62 and name HB )) (( segid " " and resid 57 and name HD2%)) ASSI { 1349} (( segid " " and resid 43 and name HA )) (( segid " " and resid 30 and name HG12)) 3.200 1.500 1.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.14560E-02 ppm1 5.709 ppm2 1.228 CV 1 OR { 1349} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB3 )) ASSI { 1351} (( segid " " and resid 74 and name HA )) (( segid " " and resid 78 and name HG13)) 4.000 2.200 2.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.38917E-03 ppm1 3.734 ppm2 1.225 CV 1 OR { 1351} (( segid " " and resid 33 and name HA )) (( segid " " and resid 675 and name HG2%)) OR { 1351} (( segid " " and resid 58 and name HA1 )) (( segid " " and resid 36 and name HB3 )) ASSI { 1353} (( segid " " and resid 57 and name HA )) (( segid " " and resid 48 and name HD1%)) 4.400 2.600 1.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.21519E-03 ppm1 4.530 ppm2 0.116 CV 1 OR { 1353} (( segid " " and resid 672 and name HA )) (( segid " " and resid 48 and name HD1%)) OR { 1353} (( segid " " and resid 63 and name HA )) (( segid " " and resid 48 and name HD1%)) ASSI { 1362} (( segid " " and resid 29 and name HE2 )) (( segid " " and resid 18 and name HD2%)) 3.400 1.600 1.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.99810E-03 ppm1 2.464 ppm2 0.751 CV 1 OR { 1362} (( segid " " and resid 29 and name HE3 )) (( segid " " and resid 18 and name HD2%)) OR { 1362} (( segid " " and resid 21 and name HE3 )) (( segid " " and resid 35 and name HD2%)) OR { 1362} (( segid " " and resid 21 and name HE2 )) (( segid " " and resid 35 and name HD2%)) ASSI { 1364} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HG2%)) 2.700 1.100 1.100 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.38460E-02 ppm1 4.304 ppm2 1.138 CV 1 OR { 1364} (( segid " " and resid 668 and name HA )) (( segid " " and resid 66 and name HG2%)) OR { 1364} (( segid " " and resid 51 and name HA )) (( segid " " and resid 72 and name HD1%)) ASSI { 1376} (( segid " " and resid 654 and name HA )) (( segid " " and resid 653 and name HG2%)) 3.600 1.800 1.800 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.75774E-03 ppm1 4.258 ppm2 0.637 CV 1 OR { 1376} (( segid " " and resid 50 and name HA )) (( segid " " and resid 71 and name HD1%)) OR { 1376} (( segid " " and resid 671 and name HB )) (( segid " " and resid 670 and name HG2%)) OR { 1376} (( segid " " and resid 661 and name HA )) (( segid " " and resid 663 and name HD1%)) ASSI { 1377} (( segid " " and resid 50 and name HA )) (( segid " " and resid 57 and name HD1%)) 6.000 4.700 0.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.258 ppm2 0.674 CV 1 OR { 1377} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HD1%)) ASSI { 1387} (( segid " " and resid 35 and name HG )) (( segid " " and resid 30 and name HD1%)) 6.000 4.700 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 0.420 CV 1 OR { 1387} (( segid " " and resid 71 and name HB )) (( segid " " and resid 57 and name HD2%)) OR { 1387} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 57 and name HD2%)) OR { 1387} (( segid " " and resid 49 and name HD2 )) (( segid " " and resid 57 and name HD2%)) OR { 1387} (( segid " " and resid 49 and name HD3 )) (( segid " " and resid 48 and name HB3 )) ASSI { 1388} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 30 and name HD1%)) 6.000 4.700 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.868 ppm2 0.420 CV 1 OR { 1388} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 48 and name HB3 )) OR { 1388} (( segid " " and resid 60 and name HB )) (( segid " " and resid 57 and name HD2%)) OR { 1388} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 48 and name HB3 )) ASSI { 1395} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 48 and name HB3 )) 2.800 1.200 1.200 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.32278E-02 ppm1 3.462 ppm2 0.420 CV 1 OR { 1395} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 57 and name HD2%)) ASSI { 1397} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HD2%)) 4.800 3.100 1.200 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.12935E-03 ppm1 4.091 ppm2 0.420 CV 1 OR { 1397} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HD2%)) ASSI { 1399} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HD2%)) 3.000 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 4.522 ppm2 0.420 CV 1 OR { 1399} (( segid " " and resid 22 and name HA )) (( segid " " and resid 30 and name HD1%)) ASSI { 1401} (( segid " " and resid 43 and name HA )) (( segid " " and resid 30 and name HD1%)) 2.800 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.33652E-02 ppm1 5.709 ppm2 0.420 CV 1 OR { 1401} (( segid " " and resid 42 and name HA )) (( segid " " and resid 30 and name HD1%)) ASSI { 1402} (( segid " " and resid 49 and name HA )) (( segid " " and resid 57 and name HD2%)) 3.100 1.400 1.400 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.18864E-02 ppm1 5.040 ppm2 0.420 CV 1 OR { 1402} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HB3 )) ASSI { 1404} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HD1%)) 3.300 1.600 1.600 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.11331E-02 ppm1 4.876 ppm2 0.420 CV 1 OR { 1404} (( segid " " and resid 35 and name HA )) (( segid " " and resid 48 and name HB3 )) ASSI { 1406} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HG )) 3.500 1.700 1.700 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.85157E-03 ppm1 4.077 ppm2 1.544 CV 1 OR { 1406} (( segid " " and resid 56 and name HA )) (( segid " " and resid 60 and name HG12)) OR { 1406} (( segid " " and resid 675 and name HA )) (( segid " " and resid 676 and name HD3 )) ASSI { 1408} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HB2 )) 6.000 4.700 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.504 ppm2 2.227 CV 1 OR { 1408} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HG3 )) ASSI { 1409} (( segid " " and resid 666 and name HB3 )) (( segid " " and resid 67 and name HG3 )) 3.200 1.500 1.500 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 2.506 ppm2 0.644 CV 1 OR { 1409} (( segid " " and resid 666 and name HB3 )) (( segid " " and resid 663 and name HD1%)) OR { 1409} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 71 and name HD1%)) OR { 1409} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 71 and name HD1%)) ASSI { 1415} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HD2%)) 3.700 2.000 2.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.56316E-03 ppm1 5.824 ppm2 0.758 CV 1 OR { 1415} (( segid " " and resid 34 and name HA )) (( segid " " and resid 673 and name HG2%)) ASSI { 1424} (( segid " " and resid 672 and name HA )) (( segid " " and resid 36 and name HD2%)) 3.000 1.300 1.300 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.22893E-02 ppm1 4.551 ppm2 0.853 CV 1 OR { 1424} (( segid " " and resid 57 and name HA )) (( segid " " and resid 60 and name HD1%)) ASSI { 1428} (( segid " " and resid 38 and name HB% )) (( segid " " and resid 670 and name HG1%)) 6.000 4.700 0.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.156 ppm2 0.720 CV 1 OR { 1428} (( segid " " and resid 667 and name HG3 )) (( segid " " and resid 663 and name HD2%)) OR { 1428} (( segid " " and resid 667 and name HG2 )) (( segid " " and resid 663 and name HD2%)) OR { 1428} (( segid " " and resid 66 and name HG2%)) (( segid " " and resid 663 and name HD2%)) OR { 1428} (( segid " " and resid 66 and name HG2%)) (( segid " " and resid 670 and name HG1%)) ASSI { 1432} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 35 and name HD1%)) 6.000 4.700 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.764 ppm2 0.943 CV 1 OR { 1432} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 21 and name HD2 )) OR { 1432} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 21 and name HD3 )) ASSI { 1433} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 35 and name HD1%)) 6.000 4.700 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.691 ppm2 0.944 CV 1 OR { 1433} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 672 and name HG2%)) OR { 1433} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 21 and name HD2 )) ASSI { 1435} (( segid " " and resid 42 and name HA )) (( segid " " and resid 35 and name HD1%)) 3.000 1.300 1.300 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 5.708 ppm2 0.940 CV 1 OR { 1435} (( segid " " and resid 43 and name HA )) (( segid " " and resid 35 and name HD1%)) OR { 1435} (( segid " " and resid 37 and name HA )) (( segid " " and resid 35 and name HD1%)) ASSI { 1436} (( segid " " and resid 42 and name HA )) (( segid " " and resid 35 and name HD2%)) 6.000 4.700 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.708 ppm2 0.758 CV 1 OR { 1436} (( segid " " and resid 37 and name HA )) (( segid " " and resid 35 and name HD2%)) ASSI { 1437} (( segid " " and resid 43 and name HA )) (( segid " " and resid 24 and name HB% )) 3.600 1.800 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.75087E-03 ppm1 5.705 ppm2 0.219 CV 1 OR { 1437} (( segid " " and resid 42 and name HA )) (( segid " " and resid 24 and name HB% )) ASSI { 1438} (( segid " " and resid 37 and name HA )) (( segid " " and resid 48 and name HD1%)) 4.500 2.700 1.500 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.19207E-03 ppm1 5.704 ppm2 0.117 CV 1 OR { 1438} (( segid " " and resid 43 and name HA )) (( segid " " and resid 48 and name HD1%)) ASSI { 1440} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 36 and name HB2 )) 6.000 4.700 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.458 ppm2 1.848 CV 1 OR { 1440} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 35 and name HB3 )) ASSI { 1446} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 72 and name HB2 )) 2.800 1.200 1.200 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.34796E-02 ppm1 3.566 ppm2 1.892 CV 1 OR { 1446} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 74 and name HB3 )) OR { 1446} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HB2 )) OR { 1446} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 35 and name HB3 )) OR { 1446} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 46 and name HB2 )) ASSI { 1448} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HD1%)) 6.000 4.700 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.002 ppm2 0.865 CV 1 OR { 1448} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HG2%)) OR { 1448} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 36 and name HD2%)) OR { 1448} (( segid " " and resid 660 and name HA1 )) (( segid " " and resid 657 and name HD1%)) OR { 1448} (( segid " " and resid 30 and name HA )) (( segid " " and resid 21 and name HG2 )) OR { 1448} (( segid " " and resid 653 and name HA )) (( segid " " and resid 657 and name HD1%)) ASSI { 1449} (( segid " " and resid 71 and name HG13)) (( segid " " and resid 48 and name HD2%)) 6.000 4.700 0.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.945 ppm2 -0.816 CV 1 OR { 1449} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 48 and name HD2%)) ASSI { 1450} (( segid " " and resid 71 and name HD1%)) (( segid " " and resid 48 and name HD2%)) 6.000 4.700 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.639 ppm2 -0.815 CV 1 OR { 1450} (( segid " " and resid 670 and name HG2%)) (( segid " " and resid 48 and name HD2%)) ASSI { 1454} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 48 and name HD1%)) 6.000 4.700 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.957 ppm2 0.115 CV 1 OR { 1454} (( segid " " and resid 71 and name HG13)) (( segid " " and resid 48 and name HD1%)) ASSI { 1456} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 48 and name HD1%)) 6.000 4.700 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.608 ppm2 0.115 CV 1 OR { 1456} (( segid " " and resid 82 and name HA2 )) (( segid " " and resid 80 and name HB3 )) OR { 1456} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 48 and name HD1%)) ASSI { 1457} (( segid " " and resid 38 and name HA )) (( segid " " and resid 48 and name HD1%)) 3.200 1.500 1.500 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.14880E-02 ppm1 4.450 ppm2 0.115 CV 1 OR { 1457} (( segid " " and resid 670 and name HA )) (( segid " " and resid 48 and name HD1%)) ASSI { 1460} (( segid " " and resid 44 and name HA )) (( segid " " and resid 36 and name HD1%)) 3.100 1.400 1.400 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.17032E-02 ppm1 5.043 ppm2 0.900 CV 1 OR { 1460} (( segid " " and resid 44 and name HA )) (( segid " " and resid 30 and name HG2%)) ASSI { 1462} (( segid " " and resid 56 and name HA )) (( segid " " and resid 49 and name HG3 )) 3.600 1.800 1.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.71425E-03 ppm1 4.094 ppm2 1.020 CV 1 OR { 1462} (( segid " " and resid 54 and name HA )) (( segid " " and resid 49 and name HG3 )) ASSI { 1464} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 57 and name HD1%)) 3.200 1.500 1.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 2.829 ppm2 0.678 CV 1 OR { 1464} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 663 and name HD2%)) ASSI { 1469} (( segid " " and resid 30 and name HG12)) (( segid " " and resid 30 and name HG2%)) 6.000 4.700 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.255 ppm2 0.912 CV 1 OR { 1469} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 36 and name HD1%)) OR { 1469} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 60 and name HG2%)) ASSI { 1470} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 60 and name HD1%)) 6.000 4.700 0.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.255 ppm2 0.855 CV 1 OR { 1470} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HG2 )) ASSI { 1472} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HG13)) 6.000 4.700 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.520 ppm2 1.256 CV 1 OR { 1472} (( segid " " and resid 673 and name HG12)) (( segid " " and resid 673 and name HG13)) ASSI { 1476} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HG2 )) 6.000 4.700 0.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.942 ppm2 1.582 CV 1 OR { 1476} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HG )) OR { 1476} (( segid " " and resid 65 and name HA )) (( segid " " and resid 39 and name HE% )) OR { 1476} (( segid " " and resid 65 and name HA )) (( segid " " and resid 74 and name HG2 )) ASSI { 1477} (( segid " " and resid 65 and name HA )) (( segid " " and resid 668 and name HB3 )) 3.100 1.400 1.400 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 4.942 ppm2 1.414 CV 1 OR { 1477} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HB% )) OR { 1477} (( segid " " and resid 73 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 1481} (( segid " " and resid 66 and name HB )) (( segid " " and resid 71 and name HD1%)) 3.900 2.100 2.100 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.44182E-03 ppm1 4.166 ppm2 0.639 CV 1 OR { 1481} (( segid " " and resid 664 and name HA )) (( segid " " and resid 663 and name HD1%)) OR { 1481} (( segid " " and resid 69 and name HA1 )) (( segid " " and resid 71 and name HD1%)) OR { 1481} (( segid " " and resid 651 and name HA )) (( segid " " and resid 653 and name HG2%)) OR { 1481} (( segid " " and resid 66 and name HB )) (( segid " " and resid 67 and name HG3 )) ASSI { 1486} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HD2%)) 3.200 1.500 1.500 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 4.612 ppm2 1.104 CV 1 OR { 1486} (( segid " " and resid 70 and name HA )) (( segid " " and resid 72 and name HD2%)) OR { 1486} (( segid " " and resid 52 and name HA )) (( segid " " and resid 72 and name HD1%)) OR { 1486} (( segid " " and resid 71 and name HA )) (( segid " " and resid 66 and name HG2%)) OR { 1486} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HD1%)) ASSI { 1490} (( segid " " and resid 50 and name HA )) (( segid " " and resid 72 and name HD1%)) 3.500 1.700 1.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.91115E-03 ppm1 4.258 ppm2 1.102 CV 1 OR { 1490} (( segid " " and resid 654 and name HA )) (( segid " " and resid 653 and name HG13)) OR { 1490} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 72 and name HD2%)) OR { 1490} (( segid " " and resid 50 and name HA )) (( segid " " and resid 72 and name HD2%)) ASSI { 1492} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 57 and name HB3 )) 6.000 4.700 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.893 ppm2 0.940 CV 1 OR { 1492} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 672 and name HG2%)) OR { 1492} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 60 and name HG2%)) ASSI { 1505} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HD2%)) 2.300 0.800 0.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 1.884 ppm2 0.763 CV 1 OR { 1505} (( segid " " and resid 673 and name HB )) (( segid " " and resid 673 and name HG2%)) ASSI { 1515} (( segid " " and resid 73 and name HA )) (( segid " " and resid 71 and name HG2%)) 4.600 2.800 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.17146E-03 ppm1 4.935 ppm2 0.584 CV 1 OR { 1515} (( segid " " and resid 65 and name HA )) (( segid " " and resid 71 and name HG2%)) ASSI { 1519} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 71 and name HG2%)) 6.000 4.700 0.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.484 ppm2 0.584 CV 1 OR { 1519} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 71 and name HG2%)) OR { 1519} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 48 and name HG )) OR { 1519} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 48 and name HG )) OR { 1519} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 48 and name HG )) ASSI { 1521} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 72 and name HB3 )) 3.000 1.300 1.300 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.21634E-02 ppm1 2.517 ppm2 1.682 CV 1 OR { 1521} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 49 and name HD2 )) OR { 1521} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 49 and name HD3 )) OR { 1521} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 35 and name HG )) ASSI { 1522} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HD3 )) 3.700 1.900 1.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.57002E-03 ppm1 4.441 ppm2 1.683 CV 1 OR { 1522} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HD2 )) OR { 1522} (( segid " " and resid 681 and name HA )) (( segid " " and resid 682 and name HD3 )) OR { 1522} (( segid " " and resid 681 and name HA )) (( segid " " and resid 682 and name HD2 )) ASSI { 1526} (( segid " " and resid 669 and name HA )) (( segid " " and resid 670 and name HB )) 6.000 4.700 0.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.588 ppm2 1.887 CV 1 OR { 1526} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HB2 )) OR { 1526} (( segid " " and resid 52 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1537} (( segid " " and resid 903 and name HA )) (( segid " " and resid 903 and name HB2 )) 6.000 4.700 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.573 ppm2 3.518 CV 1 OR { 1537} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB3 )) ASSI { 1543} (( segid " " and resid 666 and name HA )) (( segid " " and resid 665 and name HB3 )) 6.000 4.700 0.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.765 ppm2 1.622 CV 1 OR { 1543} (( segid " " and resid 666 and name HA )) (( segid " " and resid 663 and name HB2 )) OR { 1543} (( segid " " and resid 666 and name HA )) (( segid " " and resid 667 and name HB3 )) OR { 1543} (( segid " " and resid 674 and name HA )) (( segid " " and resid 676 and name HB3 )) ASSI { 1546} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HA )) 6.000 4.700 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.619 ppm2 3.935 CV 1 OR { 1546} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB3 )) OR { 1546} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 1546} (( segid " " and resid 70 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 1546} (( segid " " and resid 662 and name HA )) (( segid " " and resid 664 and name HB3 )) OR { 1546} (( segid " " and resid 70 and name HA )) (( segid " " and resid 51 and name HB3 )) ASSI { 1547} (( segid " " and resid 670 and name HA )) (( segid " " and resid 669 and name HB3 )) 6.000 4.700 0.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.456 ppm2 2.497 CV 1 OR { 1547} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HG3 )) OR { 1547} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HG2 )) OR { 1547} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB3 )) OR { 1547} (( segid " " and resid 38 and name HA )) (( segid " " and resid 669 and name HB3 )) ASSI { 1550} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 671 and name HG2%)) 3.400 1.700 1.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.95002E-03 ppm1 2.686 ppm2 1.272 CV 1 OR { 1550} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 30 and name HG12)) OR { 1550} (( segid " " and resid 42 and name HB3 )) (( segid " " and resid 21 and name HB3 )) ASSI { 1577} (( segid " " and resid 71 and name HG13)) (( segid " " and resid 43 and name HZ3 )) 3.500 1.700 1.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.91343E-03 ppm1 0.945 ppm2 6.950 CV 1 OR { 1577} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 43 and name HD1 )) OR { 1577} (( segid " " and resid 71 and name HG13)) (( segid " " and resid 43 and name HD1 )) OR { 1577} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 20 and name HZ3 )) ASSI { 1578} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 22 and name HE )) 3.200 1.400 1.400 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.15567E-02 ppm1 3.873 ppm2 7.269 CV 1 OR { 1578} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 44 and name HE1 )) OR { 1578} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 22 and name HE )) OR { 1578} (( segid " " and resid 24 and name HA )) (( segid " " and resid 22 and name HE )) ASSI { 1579} (( segid " " and resid 30 and name HA )) (( segid " " and resid 44 and name HE1 )) 4.200 2.400 1.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.27013E-03 ppm1 3.990 ppm2 7.269 CV 1 OR { 1579} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 44 and name HE1 )) ASSI { 1581} (( segid " " and resid 44 and name HE1 )) (( segid " " and resid 28 and name HN )) 3.900 2.100 2.100 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.47159E-03 ppm1 7.271 ppm2 9.138 CV 1 OR { 1581} (( segid " " and resid 22 and name HE )) (( segid " " and resid 28 and name HN )) ASSI { 1598} (( segid " " and resid 670 and name HG2%)) (( segid " " and resid 671 and name HN )) 6.000 4.700 0.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.664 ppm2 8.967 CV 1 OR { 1598} (( segid " " and resid 57 and name HD1%)) (( segid " " and resid 73 and name HN )) OR { 1598} (( segid " " and resid 57 and name HD1%)) (( segid " " and resid 74 and name HN )) ASSI { 1608} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HD2%)) 3.900 2.100 2.100 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.46014E-03 ppm1 4.148 ppm2 -0.814 CV 1 OR { 1608} (( segid " " and resid 66 and name HB )) (( segid " " and resid 48 and name HD2%)) ASSI { 1609} (( segid " " and resid 38 and name HA )) (( segid " " and resid 48 and name HD2%)) 6.000 4.700 0.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.445 ppm2 -0.814 CV 1 OR { 1609} (( segid " " and resid 670 and name HA )) (( segid " " and resid 48 and name HD2%)) ASSI { 1610} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HN )) 6.000 4.700 0.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.615 ppm2 10.077 CV 1 OR { 1610} (( segid " " and resid 71 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 1611} (( segid " " and resid 46 and name HG3 )) (( segid " " and resid 45 and name HN )) 3.600 1.800 1.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.72569E-03 ppm1 1.633 ppm2 10.033 CV 1 OR { 1611} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 45 and name HN )) ASSI { 1616} (( segid " " and resid 48 and name HD1%)) (( segid " " and resid 57 and name HN )) 6.000 4.700 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.117 ppm2 8.406 CV 1 OR { 1616} (( segid " " and resid 48 and name HD1%)) (( segid " " and resid 670 and name HN )) ASSI { 1620} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HE )) 3.400 1.600 1.600 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 4.376 ppm2 7.077 CV 1 OR { 1620} (( segid " " and resid 46 and name HA )) (( segid " " and resid 56 and name HE22)) ASSI { 1630} (( segid " " and resid 23 and name HA )) (( segid " " and resid 43 and name HA )) 3.000 1.400 1.400 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 4.405 ppm2 5.709 CV 1 OR { 1630} (( segid " " and resid 23 and name HA )) (( segid " " and resid 42 and name HA )) ASSI { 1634} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 72 and name HA )) 6.000 4.700 0.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.568 ppm2 6.141 CV 1 OR { 1634} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 1636} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 911 and name HN )) 4.300 2.500 1.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.24724E-03 ppm1 1.320 ppm2 8.204 CV 1 OR { 1636} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 53 and name HN )) ASSI { 1638} (( segid " " and resid 677 and name HN )) (( segid " " and resid 679 and name HN )) 6.000 4.700 0.000 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.620 ppm2 8.410 CV 1 OR { 1638} (( segid " " and resid 677 and name HN )) (( segid " " and resid 680 and name HN )) ASSI { 1642} (( segid " " and resid 71 and name HG2%)) (( segid " " and resid 49 and name HN )) 3.300 1.500 1.500 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.12454E-02 ppm1 0.587 ppm2 7.456 CV 1 OR { 1642} (( segid " " and resid 48 and name HG )) (( segid " " and resid 49 and name HN )) ASSI { 1651} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 42 and name HD% )) 6.000 4.700 0.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.815 ppm2 7.232 CV 1 OR { 1651} (( segid " " and resid 673 and name HD1%)) (( segid " " and resid 42 and name HD% )) OR { 1651} (( segid " " and resid 653 and name HD1%)) (( segid " " and resid 650 and name HD% )) OR { 1651} (( segid " " and resid 653 and name HD1%)) (( segid " " and resid 655 and name HD1 )) ASSI { 1654} (( segid " " and resid 673 and name HG2%)) (( segid " " and resid 37 and name HE% )) 6.000 4.700 0.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 6.399 CV 1 OR { 1654} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 37 and name HE% )) ASSI { 1660} (( segid " " and resid 31 and name HB% )) (( segid " " and resid 20 and name HZ3 )) 3.300 1.500 1.500 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 1.275 ppm2 6.945 CV 1 OR { 1660} (( segid " " and resid 29 and name HG2 )) (( segid " " and resid 20 and name HZ3 )) ASSI { 1675} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HE% )) 6.000 4.700 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.451 ppm2 1.580 CV 1 OR { 1675} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HB )) OR { 1675} (( segid " " and resid 681 and name HA )) (( segid " " and resid 683 and name HB2 )) ASSI { 1699} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 668 and name HB3 )) 6.000 4.700 0.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.086 ppm2 1.402 CV 1 OR { 1699} (( segid " " and resid 651 and name HB2 )) (( segid " " and resid 653 and name HG12)) OR { 1699} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 55 and name HB% )) ASSI { 1737} (( segid " " and resid 48 and name HD2%)) (( segid " " and resid 57 and name HN )) 6.000 4.700 0.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.818 ppm2 8.400 CV 1 OR { 1737} (( segid " " and resid 48 and name HD2%)) (( segid " " and resid 670 and name HN )) ASSI { 708} (( segid " " and resid 658 and name HN )) (( segid " " and resid 661 and name HB% )) 6.000 4.700 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 1.401 CV 1 OR { 708} (( segid " " and resid 670 and name HN )) (( segid " " and resid 668 and name HB3 )) ASSI { 719} (( segid " " and resid 669 and name HN )) (( segid " " and resid 667 and name HG2 )) 3.700 1.900 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11024E-02 ppm1 8.508 ppm2 1.155 CV 1 OR { 719} (( segid " " and resid 669 and name HN )) (( segid " " and resid 38 and name HB% )) OR { 719} (( segid " " and resid 669 and name HN )) (( segid " " and resid 66 and name HG2%)) OR { 719} (( segid " " and resid 669 and name HN )) (( segid " " and resid 667 and name HD2 )) OR { 719} (( segid " " and resid 669 and name HN )) (( segid " " and resid 667 and name HG3 )) ASSI { 722} (( segid " " and resid 674 and name HN )) (( segid " " and resid 673 and name HG13)) 3.700 1.900 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12331E-02 ppm1 8.681 ppm2 1.239 CV 1 OR { 722} (( segid " " and resid 674 and name HN )) (( segid " " and resid 675 and name HG2%)) ASSI { 728} (( segid " " and resid 683 and name HN )) (( segid " " and resid 684 and name HA2 )) 3.500 1.800 1.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 8.188 ppm2 3.882 CV 1 OR { 728} (( segid " " and resid 683 and name HN )) (( segid " " and resid 681 and name HB2 )) OR { 728} (( segid " " and resid 683 and name HN )) (( segid " " and resid 681 and name HB3 )) ASSI { 751} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG13)) 4.500 2.700 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.38115E-03 ppm1 8.767 ppm2 1.255 CV 1 OR { 751} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HG2%)) ASSI { 764} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HD2%)) 6.000 4.700 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.001 ppm2 1.105 CV 1 OR { 764} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HG2%)) ASSI { 770} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.000 1.300 1.300 peak 770 spectrum 1 weight 0.10000E+01 volume 0.44280E-02 ppm1 9.038 ppm2 1.897 CV 1 OR { 770} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB3 )) OR { 770} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB )) ASSI { 773} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB )) 4.300 2.500 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.47738E-03 ppm1 8.958 ppm2 1.881 CV 1 OR { 773} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB3 )) ASSI { 776} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HD% )) 3.500 1.800 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.15040E-02 ppm1 8.958 ppm2 6.475 CV 1 OR { 776} (( segid " " and resid 77 and name HN )) (( segid " " and resid 65 and name HD% )) ASSI { 789} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB3 )) 6.000 4.700 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.627 ppm2 1.280 CV 1 OR { 789} (( segid " " and resid 20 and name HN )) (( segid " " and resid 29 and name HG2 )) OR { 789} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HG3 )) ASSI { 799} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HD% )) 6.000 4.700 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.529 ppm2 7.272 CV 1 OR { 799} (( segid " " and resid 29 and name HN )) (( segid " " and resid 22 and name HE )) ASSI { 827} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG3 )) 6.000 4.700 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.830 ppm2 1.618 CV 1 OR { 827} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB2 )) ASSI { 869} (( segid " " and resid 674 and name HN )) (( segid " " and resid 672 and name HG2%)) 6.000 4.700 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.681 ppm2 0.938 CV 1 OR { 869} (( segid " " and resid 674 and name HN )) (( segid " " and resid 35 and name HD1%)) ASSI { 305} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 64 and name HB3 )) 6.000 4.700 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.590 ppm2 3.457 CV 1 OR { 305} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 43 and name HB2 )) ASSI { 306} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 69 and name HA2 )) 6.000 4.700 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.590 ppm2 3.591 CV 1 OR { 306} (( segid " " and resid 39 and name HE% )) (( segid " " and resid 41 and name HB2 )) ASSI { 380} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 66 and name HG2%)) 4.300 2.500 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 1.411 ppm2 1.137 CV 1 OR { 380} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 38 and name HB% )) ASSI { 381} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 670 and name HG2%)) 5.600 4.100 0.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.34674E-03 ppm1 1.417 ppm2 0.654 CV 1 OR { 381} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 71 and name HD1%)) OR { 381} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 57 and name HD1%)) ASSI { 382} (( segid " " and resid 668 and name HB2 )) (( segid " " and resid 670 and name HG2%)) 5.200 3.500 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.54650E-03 ppm1 1.816 ppm2 0.651 CV 1 OR { 382} (( segid " " and resid 668 and name HB2 )) (( segid " " and resid 71 and name HD1%)) ASSI { 384} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 667 and name HB3 )) 6.000 4.700 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.417 ppm2 1.635 CV 1 OR { 384} (( segid " " and resid 668 and name HB3 )) (( segid " " and resid 71 and name HG12)) ASSI { 403} (( segid " " and resid 675 and name HG2%)) (( segid " " and resid 673 and name HG2%)) 6.000 4.700 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.223 ppm2 0.762 CV 1 OR { 403} (( segid " " and resid 675 and name HG2%)) (( segid " " and resid 35 and name HD2%)) ASSI { 409} (( segid " " and resid 38 and name HB% )) (( segid " " and resid 670 and name HG2%)) 6.000 4.700 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.153 ppm2 0.654 CV 1 OR { 409} (( segid " " and resid 38 and name HB% )) (( segid " " and resid 71 and name HD1%)) ASSI { 419} (( segid " " and resid 673 and name HG13)) (( segid " " and resid 671 and name HB )) 5.600 4.100 0.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.34119E-03 ppm1 1.258 ppm2 4.254 CV 1 OR { 419} (( segid " " and resid 22 and name HG3 )) (( segid " " and resid 27 and name HA1 )) ASSI { 420} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 27 and name HA1 )) 3.800 2.000 2.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.33935E-02 ppm1 1.423 ppm2 4.254 CV 1 OR { 420} (( segid " " and resid 657 and name HG12)) (( segid " " and resid 654 and name HA )) ASSI { 429} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HG2 )) 6.000 4.700 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 1.259 CV 1 OR { 429} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG3 )) OR { 429} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HG3 )) ASSI { 430} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HG2%)) 6.000 4.700 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.511 ppm2 0.912 CV 1 OR { 430} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 30 and name HG2%)) OR { 430} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 30 and name HG2%)) ASSI { 546} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 42 and name HA )) 6.000 4.700 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.933 ppm2 5.709 CV 1 OR { 546} (( segid " " and resid 35 and name HD1%)) (( segid " " and resid 43 and name HA )) ASSI { 547} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 673 and name HG13)) 6.000 4.700 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.757 ppm2 1.231 CV 1 OR { 547} (( segid " " and resid 35 and name HD2%)) (( segid " " and resid 675 and name HG2%)) ASSI { 557} (( segid " " and resid 72 and name HD2%)) (( segid " " and resid 52 and name HB2 )) 6.000 4.700 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.097 ppm2 3.778 CV 1 OR { 557} (( segid " " and resid 72 and name HD2%)) (( segid " " and resid 74 and name HA )) ASSI { 559} (( segid " " and resid 72 and name HD2%)) (( segid " " and resid 68 and name HB2 )) 6.000 4.700 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.097 ppm2 4.247 CV 1 OR { 559} (( segid " " and resid 72 and name HD2%)) (( segid " " and resid 50 and name HA )) ASSI { 564} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 74 and name HG2 )) 6.000 4.700 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.471 ppm2 1.585 CV 1 OR { 564} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 39 and name HE% )) OR { 564} (( segid " " and resid 64 and name HB3 )) (( segid " " and resid 48 and name HB2 ))
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