NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
15401 | 1y58 | 6463 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 1} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HZ2 )) 2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.24468E-02 ppm1 9.886 ppm2 7.375 CV 1 ASSI { 1} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HD1 )) 2.300 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.50729E-02 ppm1 9.886 ppm2 7.172 CV 1 ASSI { 2} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HE )) 4.500 2.600 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.29825E-03 ppm1 9.886 ppm2 7.113 CV 1 ASSI { 4} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HD1 )) 4.800 2.900 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.16461E-03 ppm1 9.884 ppm2 3.149 CV 1 ASSI { 5} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 3 and name HD1 )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.85484E-04 ppm1 9.887 ppm2 3.102 CV 1 ASSI { 12} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 4 and name HB2 )) 5.600 4.000 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.28026E-03 ppm1 9.854 ppm2 3.044 CV 1 ASSI { 14} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 4 and name HB1 )) 6.000 4.900 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.84435E-04 ppm1 9.855 ppm2 3.343 CV 1 ASSI { 15} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 3 and name HA )) 5.000 3.100 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.95180E-04 ppm1 9.853 ppm2 3.953 CV 1 ASSI { 16} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HZ3 )) 5.300 3.600 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.18897E-03 ppm1 9.855 ppm2 7.051 CV 1 ASSI { 18} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HD1 )) 2.600 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.53413E-02 ppm1 9.854 ppm2 7.327 CV 1 ASSI { 23} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.900 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.59844E-02 ppm1 8.697 ppm2 4.354 CV 1 ASSI { 24} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB2 )) 3.700 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.18911E-02 ppm1 8.696 ppm2 3.239 CV 1 ASSI { 29} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG1 )) 3.200 3.200 2.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.47066E-02 ppm1 8.696 ppm2 1.643 CV 1 ASSI { 30} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB1 )) 2.800 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.28210E-02 ppm1 8.699 ppm2 1.131 CV 1 ASSI { 31} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB1 )) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.92616E-03 ppm1 8.269 ppm2 1.132 CV 1 ASSI { 32} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HG1 )) 2.600 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.25246E-02 ppm1 8.269 ppm2 1.512 CV 1 ASSI { 33} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HG1 )) 3.200 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.42449E-02 ppm1 8.269 ppm2 1.657 CV 1 ASSI { 34} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 8.269 ppm2 1.748 CV 1 ASSI { 35} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HD1 )) 4.700 2.700 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.31386E-03 ppm1 8.272 ppm2 3.097 CV 1 ASSI { 37} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.24083E-02 ppm1 8.270 ppm2 3.954 CV 1 ASSI { 38} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.53460E-02 ppm1 8.269 ppm2 4.415 CV 1 ASSI { 39} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 8.270 ppm2 7.088 CV 1 ASSI { 40} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.56201E-02 ppm1 8.166 ppm2 4.389 CV 1 ASSI { 41} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) 5.000 3.100 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.25569E-03 ppm1 8.164 ppm2 4.452 CV 1 ASSI { 42} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.38949E-02 ppm1 8.166 ppm2 4.116 CV 1 ASSI { 48} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.100 2.100 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 8.165 ppm2 2.034 CV 1 ASSI { 49} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.56349E-02 ppm1 8.166 ppm2 1.863 CV 1 ASSI { 50} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.000 3.000 3.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29889E-03 ppm1 8.165 ppm2 1.761 CV 1 ASSI { 53} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG2 )) 4.100 2.100 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14128E-02 ppm1 8.166 ppm2 1.423 CV 1 ASSI { 54} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.800 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.28011E-02 ppm1 8.167 ppm2 8.001 CV 1 ASSI { 55} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.23530E-02 ppm1 8.166 ppm2 7.641 CV 1 ASSI { 59} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22555E-02 ppm1 8.121 ppm2 4.551 CV 1 ASSI { 60} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) 4.600 2.600 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.52001E-03 ppm1 8.119 ppm2 4.369 CV 1 ASSI { 61} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HA )) 4.800 2.900 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.75426E-03 ppm1 8.120 ppm2 4.115 CV 1 ASSI { 62} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA1 )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.32481E-02 ppm1 8.121 ppm2 4.035 CV 1 ASSI { 63} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA2 )) 2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.28642E-02 ppm1 8.121 ppm2 3.863 CV 1 ASSI { 64} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 3.800 1.800 1.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14482E-02 ppm1 8.121 ppm2 3.166 CV 1 ASSI { 65} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) 2.900 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.28664E-02 ppm1 8.122 ppm2 2.976 CV 1 ASSI { 66} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HB1 )) 5.500 3.800 0.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.25098E-03 ppm1 8.118 ppm2 1.856 CV 1 ASSI { 69} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.77906E-03 ppm1 8.003 ppm2 4.388 CV 1 ASSI { 70} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.29508E-02 ppm1 8.001 ppm2 4.196 CV 1 ASSI { 71} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.26578E-02 ppm1 8.004 ppm2 4.116 CV 1 ASSI { 73} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.800 2.800 3.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.37863E-03 ppm1 8.004 ppm2 2.113 CV 1 ASSI { 75} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.54753E-02 ppm1 8.004 ppm2 1.852 CV 1 ASSI { 77} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HD1 )) 4.300 2.400 1.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 8.003 ppm2 1.672 CV 1 ASSI { 78} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG1 )) 3.600 1.600 1.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.13617E-02 ppm1 8.004 ppm2 1.475 CV 1 ASSI { 79} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 2.500 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 8.005 ppm2 1.414 CV 1 ASSI { 82} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 4.100 2.100 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.46991E-03 ppm1 7.978 ppm2 4.195 CV 1 ASSI { 83} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA1 )) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.42451E-02 ppm1 7.982 ppm2 4.033 CV 1 ASSI { 84} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA2 )) 2.200 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.49611E-02 ppm1 7.983 ppm2 3.863 CV 1 ASSI { 85} (( segid " " and resid 12 and name HN )) (( segid " " and resid 5 and name HB2 )) 5.100 3.300 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.28840E-03 ppm1 7.973 ppm2 1.813 CV 1 ASSI { 86} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.400 1.500 1.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.96673E-03 ppm1 7.983 ppm2 1.742 CV 1 ASSI { 87} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG )) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 7.979 ppm2 1.659 CV 1 ASSI { 88} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD1%) 3.300 3.300 2.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.15704E-03 ppm1 7.984 ppm2 0.927 CV 1 ASSI { 90} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.20822E-02 ppm1 7.785 ppm2 7.682 CV 1 ASSI { 91} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HE3 )) 3.600 1.600 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 7.786 ppm2 7.573 CV 1 ASSI { 92} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14412E-02 ppm1 7.785 ppm2 7.358 CV 1 ASSI { 94} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24464E-03 ppm1 7.785 ppm2 4.621 CV 1 ASSI { 95} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 7.784 ppm2 4.456 CV 1 ASSI { 96} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.43018E-02 ppm1 7.785 ppm2 4.220 CV 1 ASSI { 97} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.600 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.62316E-02 ppm1 7.785 ppm2 3.304 CV 1 ASSI { 98} (( segid " " and resid 6 and name HN )) (( segid " " and resid 1 and name HB1 )) 5.000 3.100 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13396E-03 ppm1 7.783 ppm2 3.057 CV 1 ASSI { 99} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG1 )) 4.300 2.300 1.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.77806E-03 ppm1 7.785 ppm2 1.954 CV 1 ASSI { 101} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB1 )) 6.000 6.000 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.92619E-04 ppm1 7.788 ppm2 1.760 CV 1 ASSI { 102} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HZ2 )) 3.800 3.800 2.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.70479E-04 ppm1 7.679 ppm2 7.433 CV 1 ASSI { 103} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HD1 )) 3.200 3.200 2.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.18203E-03 ppm1 7.684 ppm2 7.332 CV 1 ASSI { 107} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.900 2.900 3.100 peak 107 spectrum 1 weight 0.10000E+01 volume 0.23496E-02 ppm1 7.683 ppm2 3.304 CV 1 ASSI { 110} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.700 2.700 3.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.33764E-02 ppm1 7.684 ppm2 1.588 CV 1 ASSI { 111} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG1 )) 4.300 2.300 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.11708E-02 ppm1 7.683 ppm2 1.175 CV 1 ASSI { 112} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) 3.200 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.18852E-02 ppm1 7.684 ppm2 1.100 CV 1 ASSI { 115} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.19605E-02 ppm1 7.641 ppm2 1.586 CV 1 ASSI { 116} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 7.645 ppm2 1.760 CV 1 ASSI { 117} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HG1 )) 4.800 2.900 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.29476E-03 ppm1 7.641 ppm2 1.957 CV 1 ASSI { 119} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) 2.900 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.25920E-02 ppm1 7.640 ppm2 2.112 CV 1 ASSI { 120} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG2 )) 2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 7.641 ppm2 2.530 CV 1 ASSI { 121} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HG1 )) 3.400 1.500 1.500 peak 121 spectrum 1 weight 0.10000E+01 volume 0.17973E-02 ppm1 7.642 ppm2 2.614 CV 1 ASSI { 122} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HD2 )) 3.200 3.200 2.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.18377E-03 ppm1 7.641 ppm2 2.997 CV 1 ASSI { 123} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.400 2.400 3.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.94947E-03 ppm1 7.640 ppm2 3.304 CV 1 ASSI { 124} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.23455E-02 ppm1 7.641 ppm2 3.993 CV 1 ASSI { 126} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HA )) 4.800 2.800 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.47478E-03 ppm1 7.643 ppm2 4.453 CV 1 ASSI { 127} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 13 and name HN2 )) 1.700 0.300 0.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.29334E-01 ppm1 7.596 ppm2 7.097 CV 1 ASSI { 128} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HZ3 )) 2.200 0.600 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.87587E-02 ppm1 7.578 ppm2 7.057 CV 1 ASSI { 129} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 13 and name HA )) 3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 7.596 ppm2 4.552 CV 1 ASSI { 130} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HA )) 3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14761E-02 ppm1 7.575 ppm2 4.455 CV 1 ASSI { 131} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 8 and name HA )) 6.000 5.100 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.19422E-03 ppm1 7.574 ppm2 4.387 CV 1 ASSI { 132} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.30018E-02 ppm1 7.618 ppm2 4.197 CV 1 ASSI { 133} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 5 and name HA )) 5.600 3.900 0.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24821E-03 ppm1 7.571 ppm2 4.209 CV 1 ASSI { 134} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HA )) 4.900 3.000 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15665E-03 ppm1 7.643 ppm2 4.114 CV 1 ASSI { 135} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 4.700 2.800 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.40080E-03 ppm1 7.621 ppm2 4.115 CV 1 ASSI { 136} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HA )) 4.300 2.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.68189E-03 ppm1 7.574 ppm2 3.992 CV 1 ASSI { 137} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HB2 )) 2.400 2.400 3.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.49641E-02 ppm1 7.575 ppm2 3.304 CV 1 ASSI { 140} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HD2 )) 5.500 3.800 0.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.29411E-03 ppm1 7.576 ppm2 2.999 CV 1 ASSI { 142} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.400 1.400 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.18858E-02 ppm1 7.619 ppm2 1.845 CV 1 ASSI { 143} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.48840E-02 ppm1 7.620 ppm2 1.745 CV 1 ASSI { 144} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 3.200 1.300 1.300 peak 144 spectrum 1 weight 0.10000E+01 volume 0.45846E-02 ppm1 7.618 ppm2 1.654 CV 1 ASSI { 145} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HB1 )) 4.900 3.000 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.53400E-03 ppm1 7.576 ppm2 1.762 CV 1 ASSI { 147} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG1 )) 3.200 1.300 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.26571E-03 ppm1 7.626 ppm2 1.473 CV 1 ASSI { 149} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HG1 )) 4.800 2.900 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.17461E-03 ppm1 7.577 ppm2 1.173 CV 1 ASSI { 151} (( segid " " and resid 13 and name HN1 )) ( segid " " and resid 11 and name HD1%) 4.200 2.200 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.35126E-04 ppm1 7.586 ppm2 0.931 CV 1 ASSI { 153} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) 4.800 2.900 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.65447E-03 ppm1 7.621 ppm2 0.882 CV 1 ASSI { 156} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 11 and name HB1 )) 4.800 2.900 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.24789E-03 ppm1 7.467 ppm2 1.747 CV 1 ASSI { 157} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 5 and name HG1 )) 5.600 3.900 0.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.40435E-03 ppm1 7.469 ppm2 1.945 CV 1 ASSI { 159} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 4 and name HB2 )) 3.100 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.20562E-02 ppm1 7.466 ppm2 3.055 CV 1 ASSI { 160} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 4 and name HB1 )) 3.100 1.200 1.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.23658E-02 ppm1 7.468 ppm2 3.352 CV 1 ASSI { 162} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 4 and name HZ3 )) 2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.59493E-02 ppm1 7.473 ppm2 7.036 CV 1 ASSI { 163} (( segid " " and resid 6 and name HZ2 )) (( segid " " and resid 6 and name HH2 )) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.74368E-02 ppm1 7.426 ppm2 7.109 CV 1 ASSI { 164} ( segid " " and resid 10 and name HZ% ) (( segid " " and resid 10 and name HE1 )) 3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 7.430 ppm2 2.988 CV 1 ASSI { 166} ( segid " " and resid 10 and name HZ% ) (( segid " " and resid 10 and name HD1 )) 3.500 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 7.424 ppm2 1.678 CV 1 ASSI { 167} ( segid " " and resid 10 and name HZ% ) (( segid " " and resid 10 and name HG1 )) 5.600 4.000 0.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.99564E-04 ppm1 7.429 ppm2 1.471 CV 1 ASSI { 169} (( segid " " and resid 4 and name HZ2 )) (( segid " " and resid 2 and name HB1 )) 5.800 4.200 0.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13622E-03 ppm1 7.377 ppm2 1.134 CV 1 ASSI { 170} (( segid " " and resid 4 and name HZ2 )) (( segid " " and resid 11 and name HG )) 4.000 2.000 2.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.10330E-02 ppm1 7.376 ppm2 1.644 CV 1 ASSI { 171} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.400 2.400 3.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.19548E-02 ppm1 7.360 ppm2 1.818 CV 1 ASSI { 174} (( segid " " and resid 4 and name HZ2 )) (( segid " " and resid 13 and name HB2 )) 4.900 3.000 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.44076E-03 ppm1 7.375 ppm2 3.154 CV 1 ASSI { 175} (( segid " " and resid 5 and name HN )) (( segid " " and resid 1 and name HB2 )) 5.000 3.100 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.38551E-03 ppm1 7.370 ppm2 3.233 CV 1 ASSI { 180} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 4 and name HN )) 2.000 0.500 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.75223E-02 ppm1 7.171 ppm2 7.096 CV 1 ASSI { 181} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 4 and name HA )) 3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.15325E-02 ppm1 7.170 ppm2 4.620 CV 1 ASSI { 186} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 6 and name HB2 )) 3.400 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.39716E-02 ppm1 7.329 ppm2 3.305 CV 1 ASSI { 187} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 4 and name HB1 )) 3.200 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 7.170 ppm2 3.353 CV 1 ASSI { 189} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 2 and name HD1 )) 6.000 5.800 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.54231E-04 ppm1 7.170 ppm2 3.150 CV 1 ASSI { 190} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.23247E-02 ppm1 7.171 ppm2 3.053 CV 1 ASSI { 191} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 1 and name HB1 )) 4.700 2.800 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.32504E-03 ppm1 7.329 ppm2 3.050 CV 1 ASSI { 192} (( segid " " and resid 5 and name HN )) (( segid " " and resid 13 and name HB1 )) 5.400 3.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.63848E-04 ppm1 7.368 ppm2 2.977 CV 1 ASSI { 194} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 5 and name HB2 )) 4.800 2.800 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.23239E-03 ppm1 7.172 ppm2 1.813 CV 1 ASSI { 195} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 3 and name HB1 )) 5.000 3.200 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.44417E-03 ppm1 7.326 ppm2 1.804 CV 1 ASSI { 196} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 3 and name HB2 )) 6.000 6.000 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.64344E-04 ppm1 7.329 ppm2 1.746 CV 1 ASSI { 198} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 3 and name HB2 )) 5.200 3.400 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.22007E-03 ppm1 7.171 ppm2 1.746 CV 1 ASSI { 199} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 2 and name HG1 )) 4.800 2.900 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.82693E-03 ppm1 7.171 ppm2 1.651 CV 1 ASSI { 203} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 5 and name HE22)) 1.600 0.300 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.20700E-01 ppm1 7.098 ppm2 6.689 CV 1 ASSI { 204} (( segid " " and resid 13 and name HN2 )) (( segid " " and resid 13 and name HA )) 4.600 2.600 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55784E-03 ppm1 7.099 ppm2 4.552 CV 1 ASSI { 206} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 5 and name HA )) 4.400 2.400 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.22444E-03 ppm1 7.096 ppm2 4.218 CV 1 ASSI { 207} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 9 and name HA )) 6.000 5.300 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.83614E-04 ppm1 7.100 ppm2 4.117 CV 1 ASSI { 208} (( segid " " and resid 2 and name HE )) (( segid " " and resid 2 and name HD2 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.27261E-02 ppm1 7.105 ppm2 3.236 CV 1 ASSI { 209} (( segid " " and resid 2 and name HE )) (( segid " " and resid 2 and name HD1 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.32350E-02 ppm1 7.107 ppm2 3.149 CV 1 ASSI { 210} (( segid " " and resid 13 and name HN2 )) (( segid " " and resid 13 and name HB1 )) 2.600 2.600 3.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.59731E-03 ppm1 7.097 ppm2 2.987 CV 1 ASSI { 212} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 5 and name HG1 )) 2.200 0.600 0.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.23789E-02 ppm1 7.098 ppm2 1.941 CV 1 ASSI { 215} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 10 and name HG1 )) 3.100 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 7.099 ppm2 1.481 CV 1 ASSI { 216} (( segid " " and resid 2 and name HE )) (( segid " " and resid 2 and name HB1 )) 3.600 1.600 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14271E-02 ppm1 7.104 ppm2 1.135 CV 1 ASSI { 218} (( segid " " and resid 13 and name HN2 )) ( segid " " and resid 11 and name HD2%) 6.000 5.900 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.67169E-04 ppm1 7.099 ppm2 0.879 CV 1 ASSI { 220} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 7 and name HG1 )) 3.500 1.600 1.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.16657E-02 ppm1 7.051 ppm2 1.174 CV 1 ASSI { 221} (( segid " " and resid 7 and name HE )) (( segid " " and resid 9 and name HG1 )) 3.000 3.000 3.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.26098E-03 ppm1 7.048 ppm2 1.482 CV 1 ASSI { 222} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HB2 )) 3.900 1.900 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.14828E-02 ppm1 7.050 ppm2 1.587 CV 1 ASSI { 223} (( segid " " and resid 4 and name HH2 )) (( segid " " and resid 11 and name HG )) 4.100 2.100 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15783E-02 ppm1 7.059 ppm2 1.653 CV 1 ASSI { 224} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 7 and name HB1 )) 4.200 2.200 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.19788E-02 ppm1 7.051 ppm2 1.761 CV 1 ASSI { 225} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 11 and name HB1 )) 3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16576E-02 ppm1 7.089 ppm2 1.748 CV 1 ASSI { 226} (( segid " " and resid 6 and name HZ3 )) ( segid " " and resid 8 and name HE% ) 4.800 2.800 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.36775E-03 ppm1 7.054 ppm2 2.078 CV 1 ASSI { 227} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 8 and name HG1 )) 6.000 6.000 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.90736E-04 ppm1 7.043 ppm2 2.616 CV 1 ASSI { 228} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HD2 )) 2.600 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.54004E-02 ppm1 7.051 ppm2 3.010 CV 1 ASSI { 229} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.300 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.23631E-02 ppm1 7.090 ppm2 3.053 CV 1 ASSI { 230} (( segid " " and resid 7 and name HE )) (( segid " " and resid 6 and name HB2 )) 3.800 1.800 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.49133E-03 ppm1 7.053 ppm2 3.307 CV 1 ASSI { 231} (( segid " " and resid 4 and name HZ3 )) (( segid " " and resid 4 and name HB1 )) 5.500 3.800 0.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.32230E-03 ppm1 7.043 ppm2 3.352 CV 1 ASSI { 232} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.500 1.500 1.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.14060E-02 ppm1 7.089 ppm2 3.352 CV 1 ASSI { 233} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 3.100 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.13668E-02 ppm1 7.089 ppm2 3.953 CV 1 ASSI { 234} (( segid " " and resid 7 and name HE )) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.41654E-03 ppm1 7.053 ppm2 3.994 CV 1 ASSI { 236} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 7.087 ppm2 4.622 CV 1 ASSI { 238} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HD1 )) 2.800 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.41969E-02 ppm1 6.981 ppm2 3.101 CV 1 ASSI { 240} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HB2 )) 4.600 2.600 1.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.85416E-03 ppm1 6.982 ppm2 1.745 CV 1 ASSI { 241} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HG1 )) 2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.26329E-02 ppm1 6.982 ppm2 1.512 CV 1 ASSI { 242} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 10 and name HG1 )) 5.600 3.900 0.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.14716E-03 ppm1 6.690 ppm2 1.474 CV 1 ASSI { 243} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 11 and name HG )) 6.000 5.400 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.66379E-04 ppm1 6.690 ppm2 1.649 CV 1 ASSI { 245} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 5 and name HG1 )) 4.000 2.000 2.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 6.691 ppm2 1.939 CV 1 ASSI { 247} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.42391E-02 ppm1 3.354 ppm2 4.618 CV 1 ASSI { 248} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.600 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.62610E-02 ppm1 3.052 ppm2 4.619 CV 1 ASSI { 250} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.34440E-02 ppm1 3.166 ppm2 4.549 CV 1 ASSI { 252} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 2.978 ppm2 4.549 CV 1 ASSI { 254} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.500 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.97258E-02 ppm1 3.306 ppm2 4.456 CV 1 ASSI { 256} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HA )) 5.200 3.400 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11944E-03 ppm1 4.225 ppm2 4.454 CV 1 ASSI { 257} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HA )) 4.300 2.300 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42961E-03 ppm1 3.955 ppm2 4.414 CV 1 ASSI { 259} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HA )) 3.700 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 3.151 ppm2 4.414 CV 1 ASSI { 260} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 2 and name HA )) 6.000 6.000 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.22579E-04 ppm1 3.065 ppm2 4.408 CV 1 ASSI { 261} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HA )) 2.300 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.91678E-02 ppm1 1.647 ppm2 4.414 CV 1 ASSI { 262} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HA )) 3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 1.127 ppm2 4.415 CV 1 ASSI { 263} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.59185E-02 ppm1 0.882 ppm2 4.362 CV 1 ASSI { 264} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 0.925 ppm2 4.362 CV 1 ASSI { 267} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.31660E-02 ppm1 2.039 ppm2 4.389 CV 1 ASSI { 268} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.38096E-02 ppm1 2.113 ppm2 4.390 CV 1 ASSI { 269} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.24016E-02 ppm1 2.535 ppm2 4.389 CV 1 ASSI { 271} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 1 and name HA )) 3.200 1.300 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.26175E-02 ppm1 3.060 ppm2 4.355 CV 1 ASSI { 272} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.800 2.800 3.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.45807E-03 ppm1 3.159 ppm2 4.354 CV 1 ASSI { 273} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.700 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.33008E-02 ppm1 3.244 ppm2 4.355 CV 1 ASSI { 274} (( segid " " and resid 12 and name HA2 )) (( segid " " and resid 11 and name HA )) 5.100 3.200 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.29000E-03 ppm1 3.866 ppm2 4.360 CV 1 ASSI { 276} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HA )) 4.900 3.000 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.19487E-03 ppm1 3.998 ppm2 4.388 CV 1 ASSI { 278} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HA )) 3.900 1.900 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.66171E-03 ppm1 4.205 ppm2 4.356 CV 1 ASSI { 282} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 5 and name HA )) 4.300 2.300 1.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13286E-03 ppm1 2.611 ppm2 4.223 CV 1 ASSI { 283} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HA )) 2.100 0.500 0.500 peak 283 spectrum 1 weight 0.10000E+01 volume 0.62406E-02 ppm1 1.948 ppm2 4.220 CV 1 ASSI { 284} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11591E-01 ppm1 1.831 ppm2 4.203 CV 1 OR { 284} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) ASSI { 286} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HA )) 3.500 1.500 1.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.22577E-02 ppm1 1.472 ppm2 4.202 CV 1 ASSI { 288} (( segid " " and resid 9 and name HG2 )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.19019E-02 ppm1 1.426 ppm2 4.117 CV 1 ASSI { 290} (( segid " " and resid 9 and name HD1 )) (( segid " " and resid 9 and name HA )) 4.100 2.100 1.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12674E-02 ppm1 1.665 ppm2 4.117 CV 1 ASSI { 291} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.100 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.64537E-02 ppm1 1.859 ppm2 4.114 CV 1 ASSI { 292} (( segid " " and resid 12 and name HA2 )) (( segid " " and resid 12 and name HA1 )) 1.700 0.400 0.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.25376E-01 ppm1 3.869 ppm2 4.039 CV 1 ASSI { 294} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HA )) 3.800 1.800 1.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.16979E-02 ppm1 1.171 ppm2 3.991 CV 1 ASSI { 295} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 3.200 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.26507E-02 ppm1 1.601 ppm2 3.997 CV 1 ASSI { 298} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HA )) 5.000 3.200 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.16578E-03 ppm1 3.304 ppm2 3.993 CV 1 ASSI { 299} (( segid " " and resid 3 and name HD1 )) (( segid " " and resid 3 and name HA )) 4.400 2.400 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.93282E-03 ppm1 3.101 ppm2 3.952 CV 1 ASSI { 301} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) 2.600 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.50403E-02 ppm1 1.748 ppm2 3.953 CV 1 ASSI { 302} (( segid " " and resid 3 and name HG1 )) (( segid " " and resid 3 and name HA )) 3.400 1.400 1.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.25072E-02 ppm1 1.517 ppm2 3.950 CV 1 ASSI { 303} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HB1 )) 1.800 0.400 0.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.13522E-01 ppm1 3.052 ppm2 3.350 CV 1 ASSI { 304} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HD2 )) 1.700 0.300 0.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.22742E-01 ppm1 3.154 ppm2 3.232 CV 1 ASSI { 305} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 1 and name HB2 )) 1.600 0.300 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.23873E-01 ppm1 3.060 ppm2 3.240 CV 1 ASSI { 307} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 1 and name HB2 )) 4.400 2.400 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.53145E-03 ppm1 1.819 ppm2 3.239 CV 1 ASSI { 308} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HD2 )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.62213E-02 ppm1 1.643 ppm2 3.236 CV 1 ASSI { 309} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HD1 )) 2.600 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.59842E-02 ppm1 1.644 ppm2 3.147 CV 1 ASSI { 310} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HB2 )) 1.500 0.300 0.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.22331E-01 ppm1 2.983 ppm2 3.166 CV 1 ASSI { 312} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HD1 )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 1.744 ppm2 3.100 CV 1 ASSI { 313} (( segid " " and resid 3 and name HG1 )) (( segid " " and resid 3 and name HD1 )) 2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.86711E-02 ppm1 1.521 ppm2 3.099 CV 1 ASSI { 314} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD2 )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38343E-02 ppm1 1.098 ppm2 3.010 CV 1 ASSI { 315} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD2 )) 2.600 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.36604E-02 ppm1 1.172 ppm2 3.009 CV 1 ASSI { 318} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD2 )) 3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22598E-02 ppm1 1.590 ppm2 3.003 CV 1 ASSI { 321} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 8 and name HG1 )) 1.500 0.300 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32941E-01 ppm1 2.535 ppm2 2.614 CV 1 ASSI { 323} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG1 )) 2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.19186E-02 ppm1 2.033 ppm2 2.614 CV 1 ASSI { 324} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HG2 )) 3.200 1.300 1.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.27118E-02 ppm1 2.031 ppm2 2.528 CV 1 ASSI { 325} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG2 )) 2.600 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.27944E-02 ppm1 2.115 ppm2 2.527 CV 1 ASSI { 326} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HB1 )) 1.700 0.400 0.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.19761E-01 ppm1 2.039 ppm2 2.118 CV 1 ASSI { 327} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 5 and name HG1 )) 2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.73066E-02 ppm1 1.475 ppm2 1.939 CV 1 ASSI { 331} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB1 )) 3.200 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.63629E-03 ppm1 1.417 ppm2 1.798 CV 1 ASSI { 332} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HB1 )) 3.000 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.35903E-02 ppm1 1.473 ppm2 1.802 CV 1 ASSI { 333} (( segid " " and resid 11 and name HG )) (( segid " " and resid 11 and name HB1 )) 1.700 1.700 4.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42978E-01 ppm1 1.668 ppm2 1.745 CV 1 ASSI { 334} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HB1 )) 1.700 0.400 0.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.15255E-01 ppm1 1.594 ppm2 1.762 CV 1 ASSI { 337} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB1 )) 2.900 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.24106E-02 ppm1 1.164 ppm2 1.756 CV 1 ASSI { 342} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HG )) 2.400 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.80307E-02 ppm1 0.931 ppm2 1.653 CV 1 ASSI { 345} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.20061E-02 ppm1 1.167 ppm2 1.584 CV 1 ASSI { 346} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) 2.900 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.22155E-02 ppm1 1.100 ppm2 1.585 CV 1 ASSI { 347} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HG1 )) 1.700 0.300 0.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17762E-01 ppm1 1.108 ppm2 1.172 CV 1 ASSI { 348} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 11 and name HD1%) 2.200 2.200 3.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.16604E-01 ppm1 0.884 ppm2 0.929 CV 1 ASSI { 351} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HD2 )) 5.100 3.300 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.10263E-03 ppm1 9.886 ppm2 3.221 CV 1 ASSI { 352} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 4 and name HD1 )) 5.800 4.200 0.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.21797E-03 ppm1 9.850 ppm2 7.171 CV 1 ASSI { 353} (( segid " " and resid 6 and name HH2 )) (( segid " " and resid 6 and name HZ3 )) 2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10830E-01 ppm1 7.113 ppm2 7.054 CV 1 ASSI { 354} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 11 and name HG )) 4.200 2.200 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.16554E-02 ppm1 1.949 ppm2 1.662 CV 1 ASSI { 356} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HD1 )) 2.300 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11882E-01 ppm1 1.788 ppm2 1.673 CV 1 ASSI { 357} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HG1 )) 2.600 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.59043E-02 ppm1 1.740 ppm2 1.505 CV 1 ASSI { 358} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HH2 )) 5.200 3.400 0.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.29608E-03 ppm1 9.886 ppm2 7.063 CV 1 ASSI { 359} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 3 and name HB1 )) 6.000 5.100 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.90550E-04 ppm1 9.887 ppm2 1.796 CV 1 ASSI { 360} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 11 and name HB1 )) 6.000 5.400 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.45030E-04 ppm1 9.890 ppm2 1.744 CV 1 ASSI { 361} (( segid " " and resid 3 and name HN )) (( segid " " and resid 13 and name HN )) 5.900 4.300 0.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.40600E-03 ppm1 8.269 ppm2 8.116 CV 1 ASSI { 362} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HA2 )) 6.000 5.900 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.90905E-04 ppm1 8.163 ppm2 3.866 CV 1 ASSI { 365} (( segid " " and resid 13 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 5.100 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12335E-03 ppm1 8.121 ppm2 4.215 CV 1 ASSI { 367} (( segid " " and resid 13 and name HN )) (( segid " " and resid 1 and name HB1 )) 6.000 5.100 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.98399E-04 ppm1 8.123 ppm2 3.057 CV 1 ASSI { 368} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HG2 )) 6.000 5.200 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.16059E-03 ppm1 7.981 ppm2 1.417 CV 1 ASSI { 369} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HG1 )) 6.000 5.400 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.11450E-03 ppm1 7.974 ppm2 1.472 CV 1 ASSI { 370} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.900 1.900 1.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.45649E-03 ppm1 7.975 ppm2 1.854 CV 1 ASSI { 371} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.000 3.000 3.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.26304E-03 ppm1 7.973 ppm2 1.798 CV 1 ASSI { 372} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HA1 )) 5.600 3.900 0.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.63717E-03 ppm1 8.006 ppm2 4.036 CV 1 ASSI { 373} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 5.000 3.100 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.45460E-03 ppm1 8.006 ppm2 4.360 CV 1 ASSI { 374} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.500 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.30013E-02 ppm1 8.003 ppm2 7.617 CV 1 ASSI { 378} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HG2 )) 6.000 5.700 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.47565E-04 ppm1 7.643 ppm2 1.420 CV 1 ASSI { 379} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HG1 )) 4.900 3.000 1.100 peak 379 spectrum 1 weight 0.10000E+01 volume 0.11935E-03 ppm1 7.643 ppm2 1.477 CV 1 ASSI { 380} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 6.000 5.200 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.24147E-03 ppm1 7.687 ppm2 2.040 CV 1 ASSI { 381} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HA )) 5.300 3.500 0.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.30834E-03 ppm1 7.680 ppm2 4.387 CV 1 ASSI { 383} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HH2 )) 5.900 4.300 0.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.25012E-03 ppm1 7.686 ppm2 7.095 CV 1 ASSI { 384} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 5 and name HN )) 6.000 5.800 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.81134E-04 ppm1 9.849 ppm2 7.370 CV 1 ASSI { 385} (( segid " " and resid 13 and name HN2 )) (( segid " " and resid 12 and name HA1 )) 3.400 3.400 2.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.12128E-03 ppm1 7.093 ppm2 4.032 CV 1 ASSI { 386} (( segid " " and resid 4 and name HN )) (( segid " " and resid 1 and name HB2 )) 5.200 3.300 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.42913E-03 ppm1 7.080 ppm2 3.235 CV 1 ASSI { 387} (( segid " " and resid 4 and name HN )) (( segid " " and resid 13 and name HB2 )) 4.800 2.900 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.42389E-03 ppm1 7.079 ppm2 3.152 CV 1 ASSI { 388} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 8 and name HG1 )) 4.700 2.700 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.70063E-04 ppm1 7.094 ppm2 2.612 CV 1 ASSI { 389} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 8 and name HG2 )) 6.000 5.400 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.60213E-04 ppm1 7.094 ppm2 2.527 CV 1 ASSI { 392} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.41476E-03 ppm1 1.852 ppm2 4.368 CV 1 ASSI { 393} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 11 and name HA )) 6.000 5.000 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.14441E-03 ppm1 1.954 ppm2 4.355 CV 1 ASSI { 395} (( segid " " and resid 8 and name HG2 )) (( segid " " and resid 5 and name HA )) 5.200 3.400 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.14836E-03 ppm1 2.534 ppm2 4.223 CV 1 ASSI { 396} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 5 and name HA )) 4.700 2.800 1.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.43074E-03 ppm1 2.028 ppm2 4.224 CV 1 ASSI { 397} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 5 and name HA )) 6.000 4.900 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13954E-03 ppm1 1.748 ppm2 4.211 CV 1 ASSI { 398} (( segid " " and resid 9 and name HE1 )) (( segid " " and resid 9 and name HA )) 3.300 3.300 2.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16393E-03 ppm1 2.984 ppm2 4.114 CV 1 ASSI { 399} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 9 and name HA )) 3.400 1.500 1.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.26049E-03 ppm1 1.951 ppm2 4.118 CV 1 ASSI { 400} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 9 and name HA )) 5.000 5.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 1.807 ppm2 4.112 CV 1 ASSI { 401} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 12 and name HA1 )) 4.800 2.900 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.53400E-03 ppm1 1.854 ppm2 4.048 CV 1 ASSI { 403} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 3 and name HA )) 4.700 2.800 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.49542E-03 ppm1 1.647 ppm2 3.950 CV 1 ASSI { 405} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 4 and name HB2 )) 5.200 3.400 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.18311E-03 ppm1 1.947 ppm2 3.054 CV 1 ASSI { 406} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 1 and name HB1 )) 4.300 2.300 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.26066E-03 ppm1 1.822 ppm2 3.050 CV 1 ASSI { 407} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HE1 )) 4.200 2.200 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.71106E-03 ppm1 1.806 ppm2 2.986 CV 1 ASSI { 410} (( segid " " and resid 2 and name HN )) (( segid " " and resid 3 and name HB1 )) 5.000 3.100 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.24969E-03 ppm1 8.698 ppm2 1.795 CV 1 ASSI { 412} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HG1 )) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.76129E-04 ppm1 8.167 ppm2 1.959 CV 1 ASSI { 413} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 13 and name HB1 )) 3.100 3.100 2.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.24087E-03 ppm1 7.328 ppm2 2.984 CV 1 ASSI { 416} (( segid " " and resid 2 and name HN )) (( segid " " and resid 3 and name HN )) 3.400 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.41783E-03 ppm1 8.697 ppm2 8.269 CV 1 ASSI { 1} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HN )) 5.400 3.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.41149E-03 ppm1 9.894 ppm2 7.094 CV 1 ASSI { 3} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HA )) 6.000 6.000 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.86671E-04 ppm1 9.894 ppm2 4.433 CV 1 ASSI { 4} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HB1 )) 5.600 3.900 0.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.83666E-04 ppm1 9.894 ppm2 3.345 CV 1 ASSI { 6} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 13 and name HB2 )) 4.100 2.100 1.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.22583E-03 ppm1 9.896 ppm2 3.151 CV 1 ASSI { 8} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HB2 )) 4.900 3.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.36130E-03 ppm1 9.863 ppm2 3.314 CV 1 ASSI { 12} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HZ2 )) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.22952E-02 ppm1 9.865 ppm2 7.424 CV 1 ASSI { 13} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HN )) 5.600 3.900 0.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.66767E-04 ppm1 9.865 ppm2 7.786 CV 1 ASSI { 15} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HB1 )) 3.400 1.400 1.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.43192E-03 ppm1 9.896 ppm2 1.128 CV 1 ASSI { 16} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 2 and name HG1 )) 4.300 2.300 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.96251E-03 ppm1 9.895 ppm2 1.651 CV 1 ASSI { 21} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.300 2.300 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.69528E-03 ppm1 8.711 ppm2 1.821 CV 1 ASSI { 23} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB1 )) 3.100 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 8.709 ppm2 3.056 CV 1 ASSI { 24} (( segid " " and resid 2 and name HN )) (( segid " " and resid 13 and name HB2 )) 4.200 2.200 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.30866E-03 ppm1 8.706 ppm2 3.157 CV 1 ASSI { 27} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.000 1.100 1.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.19356E-02 ppm1 8.711 ppm2 4.419 CV 1 ASSI { 28} (( segid " " and resid 2 and name HN )) (( segid " " and resid 4 and name HN )) 4.500 2.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.24378E-03 ppm1 8.709 ppm2 7.098 CV 1 ASSI { 33} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB1 )) 2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.37486E-02 ppm1 8.281 ppm2 1.772 CV 1 ASSI { 35} (( segid " " and resid 3 and name HN )) (( segid " " and resid 1 and name HB2 )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.20219E-03 ppm1 8.282 ppm2 3.237 CV 1 ASSI { 39} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HD1 )) 3.500 3.500 2.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15317E-03 ppm1 8.279 ppm2 7.162 CV 1 ASSI { 44} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HG1 )) 5.100 3.300 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.14926E-03 ppm1 8.175 ppm2 2.610 CV 1 ASSI { 45} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HG2 )) 5.300 3.500 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19834E-03 ppm1 8.176 ppm2 2.530 CV 1 ASSI { 46} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) 4.100 2.100 1.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.12380E-02 ppm1 8.177 ppm2 2.113 CV 1 ASSI { 49} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HD1 )) 4.900 3.000 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.55509E-03 ppm1 8.178 ppm2 1.664 CV 1 ASSI { 50} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG1 )) 2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.25228E-02 ppm1 8.175 ppm2 1.465 CV 1 ASSI { 51} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HN2 )) 4.700 2.700 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.47253E-03 ppm1 8.130 ppm2 7.101 CV 1 ASSI { 57} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HN )) 2.000 0.500 0.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.61558E-02 ppm1 8.008 ppm2 7.619 CV 1 ASSI { 59} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 2.900 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.32429E-02 ppm1 8.010 ppm2 4.117 CV 1 ASSI { 61} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.700 1.700 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34085E-03 ppm1 8.013 ppm2 2.031 CV 1 ASSI { 62} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10004E-01 ppm1 8.013 ppm2 1.828 CV 1 ASSI { 65} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.43162E-02 ppm1 7.993 ppm2 4.364 CV 1 ASSI { 68} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD2%) 5.000 3.100 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.51249E-03 ppm1 7.994 ppm2 0.886 CV 1 ASSI { 72} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HD1 )) 3.200 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17842E-02 ppm1 7.795 ppm2 7.334 CV 1 ASSI { 73} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HD1 )) 5.500 3.800 0.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.15498E-03 ppm1 7.794 ppm2 7.166 CV 1 ASSI { 74} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HN )) 3.700 1.700 1.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.38829E-03 ppm1 7.795 ppm2 7.100 CV 1 ASSI { 77} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HA )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.15026E-03 ppm1 7.794 ppm2 3.996 CV 1 ASSI { 79} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HE1 )) 5.800 4.200 0.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.20671E-03 ppm1 8.013 ppm2 2.981 CV 1 ASSI { 81} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.600 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.97532E-03 ppm1 7.795 ppm2 1.815 CV 1 ASSI { 82} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.45049E-02 ppm1 7.652 ppm2 4.390 CV 1 ASSI { 83} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.25623E-02 ppm1 7.690 ppm2 3.994 CV 1 ASSI { 90} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.33282E-02 ppm1 7.623 ppm2 4.359 CV 1 ASSI { 91} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 13 and name HB2 )) 4.800 2.800 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.31343E-03 ppm1 7.606 ppm2 3.168 CV 1 ASSI { 92} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HD2 )) 5.100 3.200 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.50116E-03 ppm1 7.689 ppm2 3.004 CV 1 ASSI { 96} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HA2 )) 6.000 4.600 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17018E-03 ppm1 7.620 ppm2 3.860 CV 1 ASSI { 98} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.46713E-02 ppm1 7.650 ppm2 2.034 CV 1 ASSI { 99} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HA )) 3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.54815E-03 ppm1 7.689 ppm2 4.219 CV 1 ASSI { 100} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HG1 )) 5.200 3.400 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.21359E-03 ppm1 7.683 ppm2 1.945 CV 1 ASSI { 101} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 11 and name HG )) 2.500 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.42481E-02 ppm1 7.617 ppm2 1.656 CV 1 ASSI { 102} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.500 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.61674E-03 ppm1 7.632 ppm2 1.455 CV 1 ASSI { 103} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD1%) 4.800 2.800 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.57506E-03 ppm1 7.631 ppm2 0.928 CV 1 ASSI { 106} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 4 and name HA )) 4.500 2.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.29139E-03 ppm1 7.586 ppm2 4.630 CV 1 ASSI { 111} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HB2 )) 3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.24417E-03 ppm1 7.583 ppm2 1.582 CV 1 ASSI { 114} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HA )) 6.000 5.100 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.18039E-03 ppm1 7.375 ppm2 3.953 CV 1 ASSI { 118} ( segid " " and resid 10 and name HZ% ) (( segid " " and resid 10 and name HB1 )) 4.900 3.000 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.34374E-03 ppm1 7.424 ppm2 1.824 CV 1 ASSI { 120} ( segid " " and resid 9 and name HZ% ) (( segid " " and resid 9 and name HG1 )) 3.700 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.81162E-03 ppm1 7.471 ppm2 1.468 CV 1 ASSI { 123} (( segid " " and resid 4 and name HZ2 )) (( segid " " and resid 4 and name HH2 )) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.98084E-02 ppm1 7.376 ppm2 7.067 CV 1 ASSI { 124} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 6 and name HA )) 3.900 1.900 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.16854E-02 ppm1 7.336 ppm2 4.455 CV 1 ASSI { 125} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.900 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.14983E-02 ppm1 7.364 ppm2 4.222 CV 1 ASSI { 126} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 3 and name HA )) 3.900 1.900 1.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.51050E-03 ppm1 7.336 ppm2 3.955 CV 1 ASSI { 130} (( segid " " and resid 5 and name HN )) (( segid " " and resid 13 and name HB2 )) 4.200 2.200 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.35128E-03 ppm1 7.378 ppm2 3.154 CV 1 ASSI { 131} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG1 )) 3.000 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.23804E-02 ppm1 7.366 ppm2 1.951 CV 1 ASSI { 133} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HA )) 5.700 4.000 0.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.26267E-03 ppm1 7.088 ppm2 4.412 CV 1 ASSI { 140} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 2 and name HA )) 6.000 5.200 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.13356E-03 ppm1 7.172 ppm2 4.424 CV 1 ASSI { 141} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 5 and name HA )) 5.400 3.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25950E-03 ppm1 7.177 ppm2 4.215 CV 1 ASSI { 142} (( segid " " and resid 13 and name HN2 )) (( segid " " and resid 12 and name HA2 )) 3.700 3.700 2.300 peak 142 spectrum 1 weight 0.10000E+01 volume 0.76414E-04 ppm1 7.117 ppm2 3.869 CV 1 ASSI { 143} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 3 and name HA )) 5.900 4.300 0.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12685E-03 ppm1 7.179 ppm2 3.953 CV 1 ASSI { 145} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 5 and name HG1 )) 5.100 3.200 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.34498E-03 ppm1 7.176 ppm2 1.936 CV 1 ASSI { 147} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 3 and name HG1 )) 3.400 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.85184E-03 ppm1 7.176 ppm2 1.506 CV 1 ASSI { 150} (( segid " " and resid 6 and name HH2 )) (( segid " " and resid 4 and name HA )) 4.000 2.000 2.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.91036E-03 ppm1 7.112 ppm2 4.624 CV 1 ASSI { 151} (( segid " " and resid 7 and name HE )) (( segid " " and resid 6 and name HA )) 4.700 2.700 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14638E-03 ppm1 7.056 ppm2 4.448 CV 1 ASSI { 155} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.900 3.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32541E-03 ppm1 7.091 ppm2 3.306 CV 1 ASSI { 157} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 5 and name HB2 )) 3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 7.106 ppm2 1.814 CV 1 ASSI { 159} (( segid " " and resid 5 and name HE21)) (( segid " " and resid 10 and name HG2 )) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.19546E-02 ppm1 7.105 ppm2 1.469 CV 1 ASSI { 162} (( segid " " and resid 4 and name HH2 )) ( segid " " and resid 11 and name HD1%) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.21733E-03 ppm1 7.056 ppm2 0.927 CV 1 ASSI { 163} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HA )) 6.000 4.800 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.15699E-03 ppm1 6.994 ppm2 3.953 CV 1 ASSI { 164} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HB1 )) 4.400 2.400 1.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 6.988 ppm2 1.764 CV 1 ASSI { 167} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 5 and name HB2 )) 5.000 3.100 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.22757E-03 ppm1 6.702 ppm2 1.820 CV 1 ASSI { 168} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 10 and name HG2 )) 5.000 3.100 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.37790E-03 ppm1 6.702 ppm2 1.470 CV 1 ASSI { 172} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 13 and name HA )) 5.200 3.400 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.75964E-03 ppm1 3.228 ppm2 4.559 CV 1 ASSI { 174} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 13 and name HA )) 4.700 2.700 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.74869E-03 ppm1 3.066 ppm2 4.549 CV 1 ASSI { 176} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HA )) 3.700 1.700 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20536E-02 ppm1 3.237 ppm2 4.423 CV 1 ASSI { 178} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 6 and name HA )) 4.200 2.200 1.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.86407E-03 ppm1 1.860 ppm2 4.453 CV 1 ASSI { 182} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 2.619 ppm2 4.390 CV 1 ASSI { 186} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HA )) 2.900 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.46030E-02 ppm1 1.751 ppm2 4.364 CV 1 ASSI { 187} (( segid " " and resid 11 and name HG )) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 1.656 ppm2 4.372 CV 1 ASSI { 188} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 11 and name HA )) 5.100 3.200 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.51967E-03 ppm1 1.461 ppm2 4.372 CV 1 ASSI { 192} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 5 and name HA )) 5.300 3.500 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.26167E-03 ppm1 3.312 ppm2 4.221 CV 1 ASSI { 193} (( segid " " and resid 10 and name HE1 )) (( segid " " and resid 10 and name HA )) 5.600 3.900 0.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.29028E-03 ppm1 2.991 ppm2 4.204 CV 1 ASSI { 196} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 5 and name HA )) 5.900 4.300 0.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.18980E-03 ppm1 2.112 ppm2 4.220 CV 1 ASSI { 198} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.99119E-02 ppm1 1.829 ppm2 4.206 CV 1 ASSI { 199} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 10 and name HA )) 4.200 2.200 1.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 1.668 ppm2 4.197 CV 1 ASSI { 200} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HA )) 3.300 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.33389E-02 ppm1 1.461 ppm2 4.207 CV 1 ASSI { 206} (( segid " " and resid 9 and name HG1 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.28362E-02 ppm1 1.458 ppm2 4.114 CV 1 ASSI { 209} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HA )) 3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 2.999 ppm2 3.987 CV 1 ASSI { 210} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.61654E-02 ppm1 1.781 ppm2 3.956 CV 1 ASSI { 212} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 1.103 ppm2 3.992 CV 1 ASSI { 222} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HE1 )) 3.700 1.700 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.93334E-03 ppm1 1.866 ppm2 2.983 CV 1 ASSI { 229} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HG1 )) 3.200 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 2.115 ppm2 2.612 CV 1 ASSI { 234} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB1 )) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.35991E-02 ppm1 1.098 ppm2 1.758 CV 1 ASSI { 235} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB1 )) 3.300 1.300 1.300 peak 235 spectrum 1 weight 0.10000E+01 volume 0.54561E-02 ppm1 0.933 ppm2 1.756 CV 1 ASSI { 236} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.29544E-02 ppm1 0.887 ppm2 1.749 CV 1 ASSI { 237} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HG1 )) 2.300 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11014E-01 ppm1 1.130 ppm2 1.651 CV 1 ASSI { 239} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HG )) 2.300 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.83640E-02 ppm1 0.888 ppm2 1.652 CV 1 ASSI { 241} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 3 and name HE )) 5.100 3.300 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.60042E-04 ppm1 9.892 ppm2 6.996 CV 1 ASSI { 242} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 5 and name HE22)) 5.900 4.300 0.100 peak 242 spectrum 1 weight 0.10000E+01 volume 0.52464E-04 ppm1 9.896 ppm2 6.693 CV 1 ASSI { 243} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HB2 )) 4.700 2.800 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.24029E-03 ppm1 9.894 ppm2 3.057 CV 1 ASSI { 244} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 3 and name HG1 )) 4.100 2.100 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.29576E-03 ppm1 9.894 ppm2 1.504 CV 1 ASSI { 245} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.700 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.85900E-04 ppm1 8.708 ppm2 7.358 CV 1 ASSI { 246} (( segid " " and resid 2 and name HN )) (( segid " " and resid 5 and name HA )) 6.000 5.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.54483E-04 ppm1 8.707 ppm2 4.216 CV 1 ASSI { 247} (( segid " " and resid 2 and name HN )) (( segid " " and resid 13 and name HB1 )) 5.200 3.400 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.10714E-03 ppm1 8.709 ppm2 2.982 CV 1 ASSI { 248} (( segid " " and resid 3 and name HN )) (( segid " " and resid 5 and name HN )) 6.000 4.800 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10792E-03 ppm1 8.283 ppm2 7.361 CV 1 ASSI { 249} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HE )) 5.200 3.400 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13717E-03 ppm1 8.280 ppm2 6.985 CV 1 ASSI { 250} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.39947E-02 ppm1 8.132 ppm2 7.992 CV 1 ASSI { 251} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HN1 )) 2.900 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 8.133 ppm2 7.602 CV 1 ASSI { 252} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 5.800 4.200 0.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10440E-03 ppm1 8.179 ppm2 7.785 CV 1 ASSI { 253} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) 4.800 2.900 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16254E-03 ppm1 8.176 ppm2 4.216 CV 1 ASSI { 255} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.800 1.800 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.28555E-03 ppm1 8.126 ppm2 1.751 CV 1 ASSI { 259} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HG1 )) 4.700 2.700 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.21452E-03 ppm1 7.796 ppm2 1.470 CV 1 ASSI { 260} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HZ3 )) 4.600 2.600 1.400 peak 260 spectrum 1 weight 0.10000E+01 volume 0.55617E-03 ppm1 7.689 ppm2 7.048 CV 1 ASSI { 261} (( segid " " and resid 11 and name HN )) (( segid " " and resid 5 and name HE22)) 5.900 4.300 0.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10995E-03 ppm1 7.634 ppm2 6.703 CV 1 ASSI { 262} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 4 and name HD1 )) 2.600 2.600 3.400 peak 262 spectrum 1 weight 0.10000E+01 volume 0.68373E-03 ppm1 7.607 ppm2 7.166 CV 1 ASSI { 263} (( segid " " and resid 6 and name HZ2 )) (( segid " " and resid 3 and name HA )) 3.500 3.500 2.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.10091E-03 ppm1 7.418 ppm2 3.961 CV 1 ASSI { 265} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 13 and name HB1 )) 4.400 2.400 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 7.607 ppm2 2.980 CV 1 ASSI { 267} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 9 and name HG1 )) 6.000 4.900 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.80614E-04 ppm1 7.590 ppm2 1.474 CV 1 ASSI { 268} ( segid " " and resid 10 and name HZ% ) (( segid " " and resid 10 and name HG2 )) 4.000 2.000 2.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.75216E-03 ppm1 7.425 ppm2 1.463 CV 1 ASSI { 270} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 3 and name HG1 )) 2.800 2.800 3.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.42826E-03 ppm1 7.337 ppm2 1.512 CV 1 ASSI { 273} (( segid " " and resid 4 and name HE3 )) (( segid " " and resid 5 and name HE22)) 4.600 2.700 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12116E-03 ppm1 7.471 ppm2 6.694 CV 1 ASSI { 274} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 2 and name HB1 )) 3.800 1.800 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.36278E-03 ppm1 7.176 ppm2 1.129 CV 1 ASSI { 275} (( segid " " and resid 5 and name HE21)) ( segid " " and resid 8 and name HE% ) 4.400 2.400 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.19492E-03 ppm1 7.114 ppm2 2.073 CV 1 ASSI { 280} (( segid " " and resid 3 and name HE )) (( segid " " and resid 2 and name HG1 )) 5.600 3.900 0.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.15042E-03 ppm1 6.991 ppm2 1.656 CV 1 ASSI { 282} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 11 and name HA )) 6.000 6.000 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.58020E-04 ppm1 6.699 ppm2 4.357 CV 1 ASSI { 283} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 5 and name HA )) 6.000 5.600 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.65726E-04 ppm1 6.702 ppm2 4.219 CV 1 ASSI { 285} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 10 and name HE1 )) 4.600 2.600 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.37762E-03 ppm1 6.696 ppm2 2.995 CV 1 ASSI { 286} (( segid " " and resid 5 and name HE22)) ( segid " " and resid 8 and name HE% ) 5.800 4.200 0.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.93263E-04 ppm1 6.702 ppm2 2.078 CV 1 ASSI { 287} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 10 and name HD1 )) 5.600 4.000 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.16932E-03 ppm1 6.702 ppm2 1.658 CV 1 ASSI { 289} (( segid " " and resid 12 and name HA2 )) (( segid " " and resid 13 and name HA )) 6.000 5.200 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.86056E-04 ppm1 3.866 ppm2 4.556 CV 1 ASSI { 293} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HD1 )) 2.800 1.000 1.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.51757E-02 ppm1 1.768 ppm2 3.103 CV 1 ASSI { 296} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 5 and name HG1 )) 2.200 2.200 3.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.73068E-02 ppm1 1.465 ppm2 1.938 CV 1 ASSI { 297} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG1 )) 1.900 1.900 4.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.33571E-01 ppm1 1.827 ppm2 1.944 CV 1 ASSI { 298} (( segid " " and resid 10 and name HD1 )) (( segid " " and resid 8 and name HB1 )) 2.000 2.000 4.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.34522E-02 ppm1 1.668 ppm2 2.100 CV 1 ASSI { 301} (( segid " " and resid 9 and name HD1 )) (( segid " " and resid 9 and name HB1 )) 2.300 2.300 3.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.19912E-01 ppm1 1.666 ppm2 1.854 CV 1 ASSI { 306} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HN )) 5.000 3.200 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.23614E-03 ppm1 7.688 ppm2 7.368 CV 1 ASSI { 307} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 13 and name HB2 )) 3.700 3.700 2.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.72644E-04 ppm1 7.337 ppm2 3.157 CV 1 ASSI { 309} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 3 and name HB1 )) 4.400 2.500 1.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.74096E-03 ppm1 7.175 ppm2 1.763 CV 1 ASSI { 310} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 5 and name HA )) 5.400 3.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30337E-03 ppm1 7.053 ppm2 4.215 CV 1 ASSI { 311} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.30600E-02 ppm1 7.630 ppm2 1.830 CV 1 ASSI { 312} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 4 and name HN )) 4.200 2.200 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.20844E-03 ppm1 9.865 ppm2 7.096 CV 1 ASSI { 313} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 6 and name HE3 )) 5.700 4.100 0.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.58527E-04 ppm1 9.863 ppm2 7.583 CV 1 ASSI { 314} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 3 and name HB1 )) 6.000 6.000 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.88950E-04 ppm1 9.862 ppm2 1.764 CV 1 ASSI { 316} (( segid " " and resid 2 and name HN )) (( segid " " and resid 6 and name HB2 )) 6.000 6.000 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.56126E-04 ppm1 8.705 ppm2 3.313 CV 1 ASSI { 317} (( segid " " and resid 2 and name HN )) (( segid " " and resid 13 and name HA )) 5.400 3.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.30399E-03 ppm1 8.710 ppm2 4.554 CV 1 ASSI { 318} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HE21)) 6.000 5.400 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.74644E-04 ppm1 8.175 ppm2 7.093 CV 1 ASSI { 321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 4.300 2.400 1.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25004E-03 ppm1 8.177 ppm2 3.992 CV 1 ASSI { 322} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HE1 )) 5.100 3.200 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.37265E-03 ppm1 8.179 ppm2 2.986 CV 1 ASSI { 323} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HG1 )) 4.900 2.900 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.87712E-04 ppm1 8.013 ppm2 2.607 CV 1 ASSI { 325} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.300 3.300 2.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.15715E-03 ppm1 8.175 ppm2 1.586 CV 1 ASSI { 326} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HG )) 3.800 1.800 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.52509E-03 ppm1 8.130 ppm2 1.661 CV 1 ASSI { 327} (( segid " " and resid 12 and name HN )) (( segid " " and resid 5 and name HG1 )) 5.500 3.800 0.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.79219E-04 ppm1 7.989 ppm2 1.940 CV 1 ASSI { 328} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG2 )) 6.000 6.000 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.39197E-04 ppm1 7.796 ppm2 1.091 CV 1 ASSI { 329} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB2 )) 6.000 4.700 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.20277E-03 ppm1 7.797 ppm2 1.593 CV 1 ASSI { 330} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HA )) 6.000 6.000 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.90256E-04 ppm1 7.988 ppm2 4.548 CV 1 ASSI { 331} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HE21)) 5.100 3.200 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.14916E-03 ppm1 8.006 ppm2 7.101 CV 1 ASSI { 332} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 3 and name HE )) 2.700 2.700 3.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.49193E-03 ppm1 7.607 ppm2 6.991 CV 1 ASSI { 335} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.26831E-02 ppm1 7.691 ppm2 4.455 CV 1 ASSI { 336} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HE1 )) 4.800 2.900 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.42059E-03 ppm1 7.642 ppm2 2.993 CV 1 ASSI { 339} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.600 1.600 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.25813E-02 ppm1 7.688 ppm2 1.761 CV 1 ASSI { 342} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG1 )) 5.200 3.400 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.44695E-03 ppm1 7.649 ppm2 1.172 CV 1 ASSI { 343} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG2 )) 4.800 2.900 1.200 peak 343 spectrum 1 weight 0.10000E+01 volume 0.51277E-03 ppm1 7.649 ppm2 1.099 CV 1 ASSI { 344} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 7 and name HG2 )) 4.000 2.000 2.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.13606E-03 ppm1 7.584 ppm2 1.097 CV 1 ASSI { 346} (( segid " " and resid 5 and name HN )) (( segid " " and resid 2 and name HB1 )) 5.500 3.800 0.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.25083E-03 ppm1 7.370 ppm2 1.122 CV 1 ASSI { 348} ( segid " " and resid 9 and name HZ% ) (( segid " " and resid 9 and name HD1 )) 3.900 1.900 1.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.74411E-03 ppm1 7.469 ppm2 1.674 CV 1 ASSI { 349} ( segid " " and resid 9 and name HZ% ) (( segid " " and resid 9 and name HB1 )) 4.800 2.900 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.34762E-03 ppm1 7.473 ppm2 1.852 CV 1 ASSI { 350} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.400 1.400 1.400 peak 350 spectrum 1 weight 0.10000E+01 volume 0.64998E-03 ppm1 7.369 ppm2 3.053 CV 1 ASSI { 352} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 4.200 2.200 1.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.60909E-03 ppm1 7.370 ppm2 3.343 CV 1 ASSI { 353} (( segid " " and resid 6 and name HD1 )) (( segid " " and resid 4 and name HA )) 3.900 1.900 1.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11898E-02 ppm1 7.339 ppm2 4.629 CV 1 ASSI { 354} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.23871E-02 ppm1 7.368 ppm2 4.629 CV 1 ASSI { 355} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 13 and name HB2 )) 4.600 2.600 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.10563E-03 ppm1 7.177 ppm2 3.162 CV 1 ASSI { 356} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 1 and name HB2 )) 6.000 5.200 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.14027E-03 ppm1 7.177 ppm2 3.240 CV 1 ASSI { 364} (( segid " " and resid 5 and name HE22)) (( segid " " and resid 13 and name HA )) 5.600 4.000 0.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.56036E-04 ppm1 6.697 ppm2 4.562 CV 1 ASSI { 365} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 4.500 2.500 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.34051E-03 ppm1 4.124 ppm2 4.386 CV 1 ASSI { 368} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 1 and name HA )) 5.200 3.400 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.28347E-03 ppm1 2.984 ppm2 4.359 CV 1 ASSI { 371} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HD2 )) 3.300 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.32337E-02 ppm1 1.762 ppm2 3.001 CV 1 ASSI { 372} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HD2 )) 3.600 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.68270E-03 ppm1 1.134 ppm2 3.235 CV 1 ASSI { 374} (( segid " " and resid 6 and name HE1 )) (( segid " " and resid 4 and name HA )) 4.100 2.100 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.34843E-03 ppm1 9.865 ppm2 4.624 CV 1 ASSI { 375} (( segid " " and resid 4 and name HE1 )) (( segid " " and resid 4 and name HA )) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.14886E-03 ppm1 9.896 ppm2 4.627 CV 1 ASSI { 376} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HN )) 4.000 2.000 2.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 7.795 ppm2 7.640 CV 1 ASSI { 377} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HZ3 )) 5.700 4.000 0.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.19366E-03 ppm1 7.794 ppm2 7.058 CV 1 ASSI { 378} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HA )) 5.800 4.300 0.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.99710E-04 ppm1 7.793 ppm2 3.950 CV 1 ASSI { 380} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HA )) 5.400 3.700 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.13084E-03 ppm1 7.690 ppm2 4.629 CV 1 ASSI { 381} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HA )) 5.900 4.400 0.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.90601E-04 ppm1 7.646 ppm2 4.630 CV 1 ASSI { 383} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HA )) 4.700 2.800 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.22838E-03 ppm1 7.369 ppm2 4.454 CV 1 ASSI { 384} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.56964E-03 ppm1 7.059 ppm2 4.625 CV 1 ASSI { 386} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HA )) 5.200 3.300 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.18705E-03 ppm1 7.083 ppm2 4.218 CV 1 ASSI { 392} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.26092E-02 ppm1 4.120 ppm2 4.194 CV 1 ASSI { 393} (( segid " " and resid 9 and name HA )) (( segid " " and resid 5 and name HA )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.11031E-02 ppm1 4.123 ppm2 4.227 CV 1 ASSI { 395} (( segid " " and resid 12 and name HA1 )) (( segid " " and resid 11 and name HA )) 3.900 1.900 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.57371E-03 ppm1 4.044 ppm2 4.360 CV 1 ASSI { 396} (( segid " " and resid 12 and name HA1 )) (( segid " " and resid 13 and name HA )) 5.800 4.300 0.200 peak 396 spectrum 1 weight 0.10000E+01 volume 0.17139E-03 ppm1 4.040 ppm2 4.555 CV 1 ASSI { 397} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 4 and name HA )) 6.000 4.600 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.84486E-04 ppm1 1.942 ppm2 4.630 CV 1 ASSI { 398} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 4 and name HA )) 5.400 5.400 0.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.15571E-03 ppm1 1.822 ppm2 4.623 CV 1 ASSI { 400} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 12 and name HA2 )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.92342E-04 ppm1 3.173 ppm2 3.858 CV 1 ASSI { 401} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.51509E-02 ppm1 1.763 ppm2 3.983 CV 1 ASSI { 402} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HD1 )) 4.100 2.100 1.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.35280E-03 ppm1 1.126 ppm2 3.149 CV 1 ASSI { 403} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 13 and name HB2 )) 6.000 6.000 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.99731E-04 ppm1 1.949 ppm2 3.159 CV 1 ASSI { 404} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 13 and name HB1 )) 5.900 4.400 0.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.23691E-03 ppm1 1.937 ppm2 2.982 CV 1 ASSI { 406} (( segid " " and resid 9 and name HD1 )) (( segid " " and resid 1 and name HB1 )) 2.900 2.900 3.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.35327E-03 ppm1 1.657 ppm2 3.059 CV 1 ASSI { 407} ( segid " " and resid 9 and name HZ% ) (( segid " " and resid 9 and name HE1 )) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11143E-02 ppm1 7.469 ppm2 2.984 CV 1 ASSI { 408} (( segid " " and resid 2 and name HE )) (( segid " " and resid 2 and name HA )) 4.500 2.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 7.111 ppm2 4.414 CV 1 ASSI { 413} (( segid " " and resid 13 and name HN )) (( segid " " and resid 1 and name HB2 )) 6.000 4.800 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.15810E-03 ppm1 8.127 ppm2 3.235 CV 1 ASSI { 414} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HG1 )) 3.300 3.300 2.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.15673E-03 ppm1 8.130 ppm2 1.466 CV 1 ASSI { 415} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HZ2 )) 4.600 2.600 1.400 peak 415 spectrum 1 weight 0.10000E+01 volume 0.25505E-03 ppm1 7.792 ppm2 7.432 CV 1 ASSI { 417} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HA )) 6.000 5.400 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.52023E-04 ppm1 7.788 ppm2 4.119 CV 1 ASSI { 418} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HB2 )) 6.000 6.000 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.10986E-03 ppm1 7.794 ppm2 2.036 CV 1 ASSI { 419} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HB1 )) 6.000 6.000 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.50166E-04 ppm1 7.793 ppm2 2.107 CV 1 ASSI { 420} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG1 )) 6.000 6.000 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.66045E-04 ppm1 7.789 ppm2 1.162 CV 1 ASSI { 422} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HG1 )) 4.400 2.400 1.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.12193E-03 ppm1 7.689 ppm2 1.464 CV 1 ASSI { 423} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HA )) 5.200 3.400 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.10956E-03 ppm1 7.685 ppm2 4.118 CV 1 ASSI { 425} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 6 and name HZ2 )) 3.100 3.100 2.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.24301E-02 ppm1 7.582 ppm2 7.430 CV 1 ASSI { 427} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 8 and name HG2 )) 6.000 5.000 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.50463E-04 ppm1 7.592 ppm2 2.533 CV 1 ASSI { 428} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 8 and name HB1 )) 6.000 5.400 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11419E-03 ppm1 7.582 ppm2 2.110 CV 1 ASSI { 429} (( segid " " and resid 6 and name HE3 )) (( segid " " and resid 8 and name HB2 )) 6.000 6.000 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.16018E-03 ppm1 7.583 ppm2 2.038 CV 1 ASSI { 430} (( segid " " and resid 13 and name HN1 )) (( segid " " and resid 5 and name HG1 )) 3.300 3.300 2.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.14601E-03 ppm1 7.598 ppm2 1.949 CV 1 ASSI { 431} (( segid " " and resid 13 and name HN1 )) ( segid " " and resid 11 and name HD2%) 4.900 3.000 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.11832E-03 ppm1 7.590 ppm2 0.927 CV 1 ASSI { 433} (( segid " " and resid 4 and name HE3 )) ( segid " " and resid 11 and name HD2%) 6.000 5.000 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.49197E-04 ppm1 7.461 ppm2 0.892 CV 1 ASSI { 434} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HD1 )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.68491E-03 ppm1 7.370 ppm2 7.168 CV 1 ASSI { 435} (( segid " " and resid 4 and name HZ2 )) (( segid " " and resid 3 and name HE )) 4.100 2.200 1.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.34192E-03 ppm1 7.376 ppm2 6.989 CV 1 ASSI { 437} (( segid " " and resid 4 and name HD1 )) (( segid " " and resid 13 and name HA )) 6.000 4.800 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.25867E-04 ppm1 7.175 ppm2 4.548 CV 1 ASSI { 438} (( segid " " and resid 3 and name HE )) (( segid " " and resid 4 and name HB1 )) 5.400 3.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.82340E-04 ppm1 6.999 ppm2 3.356 CV 1 ASSI { 440} (( segid " " and resid 3 and name HE )) (( segid " " and resid 2 and name HD2 )) 5.900 4.300 0.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.48778E-04 ppm1 6.986 ppm2 3.231 CV 1 ASSI { 441} (( segid " " and resid 3 and name HE )) (( segid " " and resid 13 and name HB1 )) 6.000 6.000 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17256E-03 ppm1 6.998 ppm2 2.978 CV 1 ASSI { 443} (( segid " " and resid 6 and name HH2 )) (( segid " " and resid 8 and name HG2 )) 6.000 5.100 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.30465E-04 ppm1 7.116 ppm2 2.535 CV 1 ASSI { 444} (( segid " " and resid 6 and name HZ3 )) (( segid " " and resid 8 and name HG2 )) 4.800 2.900 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.72520E-04 ppm1 7.057 ppm2 2.527 CV 1 ASSI { 446} (( segid " " and resid 1 and name HA )) (( segid " " and resid 6 and name HA )) 6.000 4.700 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.18462E-03 ppm1 4.361 ppm2 4.458 CV 1 ASSI { 447} (( segid " " and resid 9 and name HA )) (( segid " " and resid 6 and name HA )) 6.000 5.200 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.40082E-04 ppm1 4.122 ppm2 4.462 CV 1 ASSI { 448} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HA )) 6.000 5.400 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.44897E-04 ppm1 3.958 ppm2 4.611 CV 1 ASSI { 449} (( segid " " and resid 11 and name HG )) (( segid " " and resid 13 and name HA )) 5.500 3.800 0.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.10966E-03 ppm1 1.656 ppm2 4.553 CV 1 ASSI { 451} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HA )) 4.400 2.400 1.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.24642E-03 ppm1 3.996 ppm2 4.458 CV 1 ASSI { 452} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 5 and name HA )) 6.000 5.600 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.41785E-04 ppm1 3.227 ppm2 4.219 CV 1 ASSI { 453} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 9 and name HA )) 4.100 4.100 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.42579E-04 ppm1 3.158 ppm2 4.118 CV 1 ASSI { 454} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 5 and name HA )) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.64077E-04 ppm1 3.158 ppm2 4.218 CV 1 ASSI { 455} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 12 and name HA1 )) 6.000 6.000 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.35235E-04 ppm1 3.162 ppm2 4.021 CV 1 ASSI { 456} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HA2 )) 4.900 3.000 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.15901E-03 ppm1 2.983 ppm2 3.852 CV 1 ASSI { 457} (( segid " " and resid 1 and name HB1 )) (( segid " " and resid 12 and name HA2 )) 4.900 2.900 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.21900E-03 ppm1 3.057 ppm2 3.860 CV 1 ASSI { 458} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 12 and name HA2 )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.47197E-04 ppm1 3.240 ppm2 3.856 CV 1 ASSI { 461} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 6 and name HB2 )) 6.000 6.000 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.64627E-04 ppm1 1.758 ppm2 3.308 CV 1 ASSI { 462} (( segid " " and resid 3 and name HG1 )) (( segid " " and resid 2 and name HD2 )) 5.000 3.100 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.20321E-03 ppm1 1.523 ppm2 3.240 CV 1 ASSI { 463} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 8 and name HB1 )) 2.400 2.400 3.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.93503E-03 ppm1 1.459 ppm2 2.110 CV 1 ASSI { 464} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 3 and name HG1 )) 2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.30249E-02 ppm1 1.132 ppm2 1.506 CV 1 ASSI { 467} (( segid " " and resid 11 and name HN )) (( segid " " and resid 5 and name HG1 )) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.66683E-03 ppm1 7.639 ppm2 1.943 CV 1 ASSI { 468} (( segid " " and resid 5 and name HN )) (( segid " " and resid 9 and name HG1 )) 4.200 2.200 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.11256E-02 ppm1 7.369 ppm2 1.474 CV 1 ASSI { 470} (( segid " " and resid 6 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.800 4.200 0.200 peak 470 spectrum 1 weight 0.10000E+01 volume 0.11554E-03 ppm1 7.794 ppm2 3.165 CV 1
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